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 1u8e_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVFA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.656 174.600 0.094 0.000 1.055 39 S CA 0.000 58.243 58.200 0.072 0.000 1.107 39 S CB 0.000 63.246 63.200 0.077 0.000 0.593 40 R N 0.217 120.764 120.500 0.078 0.000 4.133 40 R HA -0.058 4.282 4.340 0.000 0.000 0.372 40 R C -0.391 175.964 176.300 0.093 0.000 0.292 40 R CA 0.250 56.399 56.100 0.082 0.000 1.200 40 R CB -0.559 29.789 30.300 0.080 0.000 1.259 40 R HN 0.713 nan 8.270 nan 0.000 0.452 41 K N 0.798 121.257 120.400 0.099 0.000 2.273 41 K HA 0.386 4.706 4.320 0.000 0.000 0.240 41 K C 0.185 176.859 176.600 0.124 0.000 1.056 41 K CA 0.224 56.577 56.287 0.110 0.000 0.910 41 K CB 0.579 33.151 32.500 0.120 0.000 1.196 41 K HN 0.752 nan 8.250 nan 0.000 0.509 42 T N -3.162 111.476 114.554 0.139 0.000 2.919 42 T HA 0.270 4.620 4.350 0.000 0.000 0.282 42 T C -0.675 174.166 174.700 0.235 0.000 1.020 42 T CA -0.739 61.458 62.100 0.161 0.000 0.994 42 T CB 0.450 69.404 68.868 0.143 0.000 1.180 42 T HN 0.454 nan 8.240 nan 0.000 0.566 43 Y N 2.539 122.920 120.300 0.135 0.000 2.504 43 Y HA 0.405 4.955 4.550 0.000 0.000 0.351 43 Y C 0.852 176.919 175.900 0.278 0.000 0.988 43 Y CA -0.533 57.689 58.100 0.203 0.000 1.239 43 Y CB -0.231 38.317 38.460 0.146 0.000 1.128 43 Y HN 0.998 nan 8.280 nan 0.000 0.525 44 T N 2.337 116.866 114.554 -0.041 0.000 2.847 44 T HA 0.139 4.489 4.350 0.000 0.000 0.279 44 T C 1.025 175.588 174.700 -0.227 0.000 0.984 44 T CA -0.752 61.362 62.100 0.024 0.000 0.988 44 T CB 1.234 70.098 68.868 -0.006 0.000 1.040 44 T HN 0.667 nan 8.240 nan 0.000 0.528 45 L N 1.258 122.194 121.223 -0.478 0.000 2.042 45 L HA -0.007 4.333 4.340 0.000 0.000 0.210 45 L C 2.631 179.333 176.870 -0.280 0.000 1.076 45 L CA 2.193 56.638 54.840 -0.658 0.000 0.749 45 L CB -1.474 40.074 42.059 -0.852 0.000 0.893 45 L HN 0.978 nan 8.230 nan 0.000 0.432 46 T N -0.784 113.636 114.554 -0.224 0.000 2.746 46 T HA -0.163 4.187 4.350 0.000 0.000 0.267 46 T C 1.518 176.111 174.700 -0.179 0.000 1.039 46 T CA 1.390 63.392 62.100 -0.163 0.000 1.142 46 T CB -0.413 68.385 68.868 -0.115 0.000 0.866 46 T HN 0.378 nan 8.240 nan 0.000 0.444 47 D N 0.228 120.487 120.400 -0.235 0.000 2.116 47 D HA -0.112 4.529 4.640 0.000 0.000 0.193 47 D C 1.774 177.957 176.300 -0.195 0.000 0.998 47 D CA 1.193 55.022 54.000 -0.286 0.000 0.836 47 D CB -0.414 40.104 40.800 -0.470 0.000 0.951 47 D HN 0.432 nan 8.370 nan 0.000 0.449 48 Y N 1.438 121.532 120.300 -0.344 0.000 2.133 48 Y HA -0.089 4.461 4.550 0.000 0.000 0.287 48 Y C 2.229 178.129 175.900 -0.000 0.000 1.134 48 Y CA 1.196 59.272 58.100 -0.039 0.000 1.133 48 Y CB -0.647 37.840 38.460 0.044 0.000 0.987 48 Y HN -0.101 nan 8.280 nan 0.000 0.502 49 L N 0.062 121.047 121.223 -0.398 0.000 2.131 49 L HA -0.179 4.161 4.340 0.000 0.000 0.210 49 L C 2.014 178.752 176.870 -0.221 0.000 1.092 49 L CA 1.291 55.881 54.840 -0.417 0.000 0.759 49 L CB -0.457 41.446 42.059 -0.261 0.000 0.903 49 L HN 0.086 nan 8.230 nan 0.000 0.435 50 K N -0.189 120.112 120.400 -0.165 0.000 2.393 50 K HA 0.035 4.356 4.320 0.000 0.000 0.193 50 K C 0.176 176.723 176.600 -0.089 0.000 1.026 50 K CA -0.007 56.215 56.287 -0.109 0.000 1.064 50 K CB -0.372 32.067 32.500 -0.103 0.000 0.833 50 K HN 0.312 nan 8.250 nan 0.000 0.521 51 N N 1.324 119.978 118.700 -0.077 0.000 2.727 51 N HA -0.196 4.544 4.740 0.000 0.000 0.251 51 N C 0.007 175.500 175.510 -0.028 0.000 1.040 51 N CA 0.274 53.323 53.050 -0.001 0.000 0.712 51 N CB -0.437 38.045 38.487 -0.008 0.000 0.912 51 N HN 0.059 nan 8.380 nan 0.000 0.545 52 T N -0.002 114.489 114.554 -0.106 0.000 2.737 52 T HA -0.142 4.209 4.350 0.000 0.000 0.265 52 T C 0.255 174.751 174.700 -0.340 0.000 1.038 52 T CA 1.325 63.238 62.100 -0.311 0.000 1.144 52 T CB -0.125 68.401 68.868 -0.571 0.000 0.866 52 T HN 0.372 nan 8.240 nan 0.000 0.434 53 Y N 2.151 122.569 120.300 0.197 0.000 2.700 53 Y HA 0.430 4.981 4.550 0.000 0.000 0.333 53 Y C 0.518 176.529 175.900 0.187 0.000 1.036 53 Y CA -1.274 56.949 58.100 0.205 0.000 1.287 53 Y CB 0.063 38.694 38.460 0.284 0.000 1.132 53 Y HN -0.026 nan 8.280 nan 0.000 0.510 54 R N 3.813 124.448 120.500 0.225 0.000 2.254 54 R HA 0.416 4.756 4.340 0.000 0.000 0.318 54 R C -0.983 175.423 176.300 0.175 0.000 1.031 54 R CA -0.518 55.685 56.100 0.173 0.000 0.905 54 R CB 0.516 30.877 30.300 0.102 0.000 1.050 54 R HN 0.687 nan 8.270 nan 0.000 0.456 55 L N 5.217 126.549 121.223 0.181 0.000 2.410 55 L HA 0.167 4.507 4.340 0.000 0.000 0.273 55 L C 0.537 177.493 176.870 0.143 0.000 1.144 55 L CA 0.257 55.206 54.840 0.182 0.000 0.863 55 L CB 0.645 42.828 42.059 0.207 0.000 1.140 55 L HN 0.542 nan 8.230 nan 0.000 0.463 56 K N 3.611 124.090 120.400 0.131 0.000 2.185 56 K HA 0.592 4.912 4.320 0.000 0.000 0.271 56 K C -0.774 175.871 176.600 0.074 0.000 1.013 56 K CA -0.596 55.742 56.287 0.084 0.000 0.943 56 K CB 1.235 33.776 32.500 0.067 0.000 0.998 56 K HN 0.257 nan 8.250 nan 0.000 0.468 57 L N 0.980 122.175 121.223 -0.047 0.000 2.230 57 L HA 0.434 4.774 4.340 0.000 0.000 0.255 57 L C -1.108 175.498 176.870 -0.441 0.000 1.039 57 L CA -0.787 53.896 54.840 -0.262 0.000 0.846 57 L CB 0.596 42.632 42.059 -0.039 0.000 1.419 57 L HN 0.464 nan 8.230 nan 0.000 0.435 58 Y N -0.011 119.787 120.300 -0.837 0.000 2.563 58 Y HA 0.435 4.985 4.550 0.000 0.000 0.351 58 Y C -0.689 175.106 175.900 -0.176 0.000 1.087 58 Y CA -0.532 57.307 58.100 -0.435 0.000 1.272 58 Y CB 1.217 39.265 38.460 -0.687 0.000 1.095 58 Y HN 0.464 nan 8.280 nan 0.000 0.620 59 S N 5.775 121.445 115.700 -0.050 0.000 2.416 59 S HA 0.430 4.900 4.470 0.000 0.000 0.302 59 S C -0.546 174.040 174.600 -0.024 0.000 1.120 59 S CA -0.455 57.737 58.200 -0.014 0.000 1.067 59 S CB -0.575 62.594 63.200 -0.052 0.000 1.057 59 S HN 0.534 nan 8.310 nan 0.000 0.518 60 L N 1.355 122.562 121.223 -0.027 0.000 2.322 60 L HA 0.782 5.122 4.340 0.000 0.000 0.269 60 L C -0.077 176.708 176.870 -0.143 0.000 1.012 60 L CA -0.775 53.985 54.840 -0.133 0.000 0.815 60 L CB 0.801 42.501 42.059 -0.598 0.000 1.295 60 L HN 0.224 nan 8.230 nan 0.000 0.438 61 R N 1.290 121.743 120.500 -0.078 0.000 2.473 61 R HA 0.306 4.646 4.340 0.000 0.000 0.303 61 R C -1.806 174.547 176.300 0.090 0.000 1.002 61 R CA -0.459 55.655 56.100 0.024 0.000 0.884 61 R CB 0.985 31.331 30.300 0.076 0.000 1.173 61 R HN 0.857 nan 8.270 nan 0.000 0.464 62 W N 5.330 126.742 121.300 0.186 0.000 2.308 62 W HA 0.086 4.746 4.660 0.000 0.000 0.324 62 W C 1.806 178.424 176.519 0.165 0.000 1.387 62 W CA -0.329 57.143 57.345 0.211 0.000 1.250 62 W CB 0.489 30.062 29.460 0.188 0.000 1.257 62 W HN 0.595 nan 8.180 nan 0.000 0.554 63 I N 0.347 121.165 120.570 0.412 0.000 4.070 63 I HA 0.270 4.440 4.170 0.000 0.000 0.328 63 I C 0.708 176.975 176.117 0.250 0.000 1.298 63 I CA 0.004 61.455 61.300 0.252 0.000 1.173 63 I CB -0.070 38.025 38.000 0.158 0.000 1.051 63 I HN 0.268 nan 8.210 nan 0.000 0.409 64 S N -0.521 115.376 115.700 0.329 0.000 2.800 64 S HA 0.283 4.753 4.470 0.000 0.000 0.293 64 S C -0.137 174.586 174.600 0.205 0.000 1.209 64 S CA -0.246 58.111 58.200 0.261 0.000 0.884 64 S CB 1.363 64.742 63.200 0.299 0.000 1.244 64 S HN 0.059 nan 8.310 nan 0.000 0.540 65 D N -0.718 119.721 120.400 0.064 0.000 2.355 65 D HA 0.217 4.857 4.640 0.000 0.000 0.218 65 D C 0.822 176.924 176.300 -0.330 0.000 1.004 65 D CA 0.997 54.847 54.000 -0.250 0.000 0.880 65 D CB -0.056 40.499 40.800 -0.409 0.000 0.911 65 D HN 0.627 nan 8.370 nan 0.000 0.528 66 H N -1.829 117.419 119.070 0.297 0.000 3.457 66 H HA 0.441 4.997 4.556 0.000 0.000 0.255 66 H C 0.042 175.530 175.328 0.267 0.000 1.082 66 H CA -0.255 55.986 56.048 0.322 0.000 1.189 66 H CB 0.751 30.651 29.762 0.229 0.000 1.511 66 H HN -0.022 nan 8.280 nan 0.000 0.527 67 E N 0.441 120.917 120.200 0.461 0.000 2.378 67 E HA 0.446 4.796 4.350 0.000 0.000 0.265 67 E C -1.452 175.407 176.600 0.433 0.000 0.932 67 E CA -1.331 55.256 56.400 0.312 0.000 0.795 67 E CB 2.867 32.676 29.700 0.182 0.000 1.296 67 E HN 0.185 nan 8.360 nan 0.000 0.438 68 Y N -1.482 118.898 120.300 0.133 0.000 2.581 68 Y HA 0.557 5.107 4.550 0.000 0.000 0.337 68 Y C -1.891 174.036 175.900 0.045 0.000 1.108 68 Y CA -1.289 56.784 58.100 -0.046 0.000 1.033 68 Y CB 0.660 38.743 38.460 -0.629 0.000 1.318 68 Y HN 0.337 nan 8.280 nan 0.000 0.459 69 L N 3.241 124.629 121.223 0.275 0.000 2.307 69 L HA 0.407 4.747 4.340 0.000 0.000 0.282 69 L C -1.293 175.774 176.870 0.328 0.000 1.051 69 L CA -0.947 54.015 54.840 0.203 0.000 0.804 69 L CB 1.292 43.348 42.059 -0.005 0.000 1.197 69 L HN 0.757 nan 8.230 nan 0.000 0.431 70 Y N 3.663 124.077 120.300 0.191 0.000 2.447 70 Y HA 0.341 4.891 4.550 0.000 0.000 0.325 70 Y C -0.273 175.613 175.900 -0.024 0.000 0.976 70 Y CA -1.149 56.986 58.100 0.058 0.000 1.280 70 Y CB 0.718 39.244 38.460 0.111 0.000 1.104 70 Y HN 0.449 nan 8.280 nan 0.000 0.486 71 K N 4.583 124.704 120.400 -0.465 0.000 2.258 71 K HA 0.275 4.595 4.320 0.000 0.000 0.264 71 K C -0.289 175.938 176.600 -0.621 0.000 1.007 71 K CA -0.183 55.847 56.287 -0.427 0.000 0.941 71 K CB 1.018 33.337 32.500 -0.302 0.000 0.966 71 K HN 0.736 nan 8.250 nan 0.000 0.480 72 Q N 0.299 119.879 119.800 -0.366 0.000 3.249 72 Q HA 0.076 4.417 4.340 0.000 0.000 0.356 72 Q C 0.448 176.345 176.000 -0.171 0.000 0.851 72 Q CA -0.679 54.951 55.803 -0.288 0.000 0.846 72 Q CB 0.686 29.323 28.738 -0.167 0.000 1.530 72 Q HN 0.506 nan 8.270 nan 0.000 0.443 73 E N 0.148 120.284 120.200 -0.106 0.000 2.166 73 E HA 0.020 4.370 4.350 0.000 0.000 0.192 73 E C 0.519 177.096 176.600 -0.039 0.000 0.967 73 E CA 1.283 57.647 56.400 -0.060 0.000 0.840 73 E CB 0.264 29.941 29.700 -0.039 0.000 0.795 73 E HN 0.407 nan 8.360 nan 0.000 0.470 74 N N 0.491 119.163 118.700 -0.046 0.000 2.184 74 N HA 0.145 4.885 4.740 0.000 0.000 0.206 74 N C -0.852 174.620 175.510 -0.063 0.000 1.151 74 N CA 0.019 53.047 53.050 -0.036 0.000 0.878 74 N CB 0.518 38.989 38.487 -0.026 0.000 1.014 74 N HN 0.190 nan 8.380 nan 0.000 0.512 75 N N -0.396 118.245 118.700 -0.098 0.000 3.405 75 N HA 0.186 4.927 4.740 0.000 0.000 0.292 75 N C -1.727 173.690 175.510 -0.155 0.000 1.456 75 N CA -0.514 52.461 53.050 -0.125 0.000 0.861 75 N CB 1.019 39.460 38.487 -0.076 0.000 1.643 75 N HN -0.203 nan 8.380 nan 0.000 0.474 76 I N 0.512 121.014 120.570 -0.113 0.000 2.499 76 I HA 0.439 4.609 4.170 0.000 0.000 0.288 76 I C -0.676 175.467 176.117 0.043 0.000 1.048 76 I CA -0.687 60.563 61.300 -0.083 0.000 1.062 76 I CB 2.054 39.962 38.000 -0.153 0.000 1.238 76 I HN 0.309 nan 8.210 nan 0.000 0.426 77 L N 5.853 127.134 121.223 0.096 0.000 2.333 77 L HA 0.653 4.993 4.340 0.000 0.000 0.269 77 L C -0.547 176.400 176.870 0.130 0.000 1.010 77 L CA -1.142 53.758 54.840 0.100 0.000 0.818 77 L CB 2.465 44.569 42.059 0.075 0.000 1.306 77 L HN 0.300 nan 8.230 nan 0.000 0.430 78 V N 1.880 121.803 119.914 0.014 0.000 2.398 78 V HA 0.505 4.625 4.120 0.000 0.000 0.286 78 V C -0.945 174.999 176.094 -0.250 0.000 1.026 78 V CA -0.189 62.119 62.300 0.013 0.000 0.868 78 V CB 1.403 33.306 31.823 0.133 0.000 0.982 78 V HN 0.456 nan 8.190 nan 0.000 0.443 79 F N 5.053 124.773 119.950 -0.384 0.000 2.507 79 F HA 0.505 5.032 4.527 0.000 0.000 0.327 79 F C 0.516 176.026 175.800 -0.482 0.000 1.068 79 F CA -0.503 57.156 58.000 -0.568 0.000 0.965 79 F CB 1.689 39.980 39.000 -1.181 0.000 1.192 79 F HN 0.485 nan 8.300 nan 0.000 0.476 80 N N 1.817 120.444 118.700 -0.121 0.000 2.457 80 N HA 0.261 5.001 4.740 0.000 0.000 0.250 80 N C 0.408 175.849 175.510 -0.115 0.000 0.982 80 N CA 0.080 53.089 53.050 -0.069 0.000 0.941 80 N CB 1.758 40.256 38.487 0.018 0.000 1.120 80 N HN 0.805 nan 8.380 nan 0.000 0.505 81 A N 3.678 126.386 122.820 -0.188 0.000 1.940 81 A HA -0.205 4.116 4.320 0.000 0.000 0.219 81 A C 1.894 179.187 177.584 -0.486 0.000 1.176 81 A CA 1.701 53.521 52.037 -0.362 0.000 0.631 81 A CB -0.435 18.118 19.000 -0.745 0.000 0.814 81 A HN 0.797 nan 8.150 nan 0.000 0.446 82 E N -0.964 118.948 120.200 -0.479 0.000 2.038 82 E HA -0.196 4.154 4.350 0.000 0.000 0.195 82 E C 1.498 177.827 176.600 -0.450 0.000 1.000 82 E CA 2.073 58.206 56.400 -0.445 0.000 0.803 82 E CB -0.378 28.922 29.700 -0.667 0.000 0.750 82 E HN 0.709 nan 8.360 nan 0.000 0.448 83 Y N -2.198 118.103 120.300 0.001 0.000 2.558 83 Y HA 0.402 4.952 4.550 0.000 0.000 0.273 83 Y C 1.795 177.698 175.900 0.004 0.000 1.100 83 Y CA 0.401 58.504 58.100 0.004 0.000 1.276 83 Y CB 0.592 39.053 38.460 0.002 0.000 1.196 83 Y HN 0.212 nan 8.280 nan 0.000 0.527 84 G N 0.452 109.335 108.800 0.139 0.000 2.179 84 G HA2 -0.257 3.703 3.960 0.000 0.000 0.220 84 G HA3 -0.257 3.703 3.960 0.000 0.000 0.220 84 G C -0.038 174.971 174.900 0.182 0.000 0.990 84 G CA -0.060 45.134 45.100 0.156 0.000 0.646 84 G HN 0.428 nan 8.290 nan 0.000 0.517 85 N N 0.732 119.497 118.700 0.108 0.000 2.467 85 N HA 0.575 5.315 4.740 0.000 0.000 0.262 85 N C 0.112 175.510 175.510 -0.188 0.000 1.234 85 N CA 0.754 53.798 53.050 -0.009 0.000 0.952 85 N CB 1.598 40.085 38.487 0.000 0.000 1.158 85 N HN 0.926 nan 8.380 nan 0.000 0.463 86 S N -0.429 115.056 115.700 -0.358 0.000 2.685 86 S HA 0.732 5.202 4.470 0.000 0.000 0.282 86 S C -0.976 173.399 174.600 -0.375 0.000 1.159 86 S CA -0.817 57.007 58.200 -0.627 0.000 0.833 86 S CB 1.541 63.798 63.200 -1.571 0.000 1.151 86 S HN 0.643 nan 8.310 nan 0.000 0.485 87 S N -0.261 115.239 115.700 -0.333 0.000 2.618 87 S HA 0.665 5.135 4.470 0.000 0.000 0.277 87 S C -1.109 173.405 174.600 -0.144 0.000 1.138 87 S CA -0.744 57.341 58.200 -0.193 0.000 0.844 87 S CB 1.607 64.722 63.200 -0.140 0.000 1.127 87 S HN 0.760 nan 8.310 nan 0.000 0.474 88 V N 2.457 122.308 119.914 -0.104 0.000 2.461 88 V HA 0.267 4.387 4.120 0.000 0.000 0.275 88 V C 0.261 176.333 176.094 -0.037 0.000 1.047 88 V CA 0.004 62.270 62.300 -0.057 0.000 0.955 88 V CB 0.537 32.320 31.823 -0.068 0.000 0.988 88 V HN 0.934 nan 8.190 nan 0.000 0.471 89 F N 6.086 125.983 119.950 -0.089 0.000 2.387 89 F HA 0.310 4.837 4.527 0.000 0.000 0.294 89 F C 0.410 176.167 175.800 -0.071 0.000 1.093 89 F CA 0.522 58.480 58.000 -0.070 0.000 1.420 89 F CB 0.559 39.526 39.000 -0.054 0.000 1.086 89 F HN 0.381 nan 8.300 nan 0.000 0.531 90 L N -1.398 119.885 121.223 0.100 0.000 2.789 90 L HA 0.311 4.651 4.340 0.000 0.000 0.254 90 L C -0.750 176.078 176.870 -0.070 0.000 0.952 90 L CA -0.644 54.190 54.840 -0.009 0.000 0.942 90 L CB 0.930 43.020 42.059 0.051 0.000 1.502 90 L HN -0.155 nan 8.230 nan 0.000 0.425 91 E N 1.232 121.357 120.200 -0.124 0.000 2.419 91 E HA 0.224 4.574 4.350 0.000 0.000 0.190 91 E C 0.399 176.924 176.600 -0.124 0.000 1.040 91 E CA 0.424 56.755 56.400 -0.115 0.000 0.900 91 E CB 0.016 29.655 29.700 -0.100 0.000 1.054 91 E HN 0.762 nan 8.360 nan 0.000 0.462 92 N N -0.871 117.739 118.700 -0.150 0.000 2.626 92 N HA -0.322 4.418 4.740 0.000 0.000 0.225 92 N C 1.027 176.484 175.510 -0.089 0.000 0.854 92 N CA 2.039 55.073 53.050 -0.027 0.000 1.911 92 N CB -1.641 36.868 38.487 0.036 0.000 0.892 92 N HN 0.336 nan 8.380 nan 0.000 0.558 93 S N -1.736 113.892 115.700 -0.119 0.000 2.584 93 S HA -0.015 4.455 4.470 0.000 0.000 0.240 93 S C 1.443 175.917 174.600 -0.210 0.000 0.975 93 S CA 1.369 59.505 58.200 -0.107 0.000 0.949 93 S CB -0.355 62.795 63.200 -0.083 0.000 0.761 93 S HN 0.457 nan 8.310 nan 0.000 0.536 94 T N 1.230 115.513 114.554 -0.452 0.000 3.055 94 T HA 0.176 4.526 4.350 0.000 0.000 0.265 94 T C 0.108 174.325 174.700 -0.805 0.000 1.111 94 T CA 0.710 62.368 62.100 -0.736 0.000 1.118 94 T CB -0.324 67.803 68.868 -1.235 0.000 0.909 94 T HN 0.607 nan 8.240 nan 0.000 0.501 95 F N 0.533 120.430 119.950 -0.088 0.000 2.764 95 F HA 0.380 4.907 4.527 0.000 0.000 0.310 95 F C 1.079 176.900 175.800 0.036 0.000 1.124 95 F CA -1.411 56.563 58.000 -0.044 0.000 1.252 95 F CB -0.035 38.872 39.000 -0.155 0.000 1.010 95 F HN -0.059 nan 8.300 nan 0.000 0.518 96 D N 1.441 121.900 120.400 0.099 0.000 2.228 96 D HA -0.184 4.456 4.640 0.000 0.000 0.203 96 D C 0.857 177.213 176.300 0.093 0.000 0.988 96 D CA 1.393 55.441 54.000 0.080 0.000 0.864 96 D CB -0.025 40.790 40.800 0.025 0.000 0.928 96 D HN 0.582 nan 8.370 nan 0.000 0.469 97 E N -0.580 119.689 120.200 0.116 0.000 3.588 97 E HA 0.119 4.469 4.350 0.000 0.000 0.213 97 E C 0.157 176.858 176.600 0.169 0.000 1.168 97 E CA -0.458 55.998 56.400 0.093 0.000 1.254 97 E CB -0.082 29.650 29.700 0.052 0.000 1.302 97 E HN -0.032 nan 8.360 nan 0.000 0.429 98 F N 1.581 121.539 119.950 0.014 0.000 2.714 98 F HA 0.355 4.882 4.527 0.000 0.000 0.294 98 F C 1.585 177.308 175.800 -0.128 0.000 1.120 98 F CA 0.811 58.803 58.000 -0.013 0.000 1.398 98 F CB 0.648 39.628 39.000 -0.033 0.000 1.120 98 F HN 0.492 nan 8.300 nan 0.000 0.589 99 G N 0.063 108.706 108.800 -0.262 0.000 2.199 99 G HA2 -0.235 3.725 3.960 0.000 0.000 0.254 99 G HA3 -0.235 3.725 3.960 0.000 0.000 0.254 99 G C 0.158 174.567 174.900 -0.818 0.000 0.982 99 G CA 0.442 45.224 45.100 -0.531 0.000 0.632 99 G HN 0.539 nan 8.290 nan 0.000 0.529 100 H N -0.542 118.333 119.070 -0.324 0.000 2.895 100 H HA 0.625 5.181 4.556 0.000 0.000 0.373 100 H C -0.700 174.636 175.328 0.013 0.000 1.174 100 H CA 0.011 55.939 56.048 -0.201 0.000 1.144 100 H CB 1.654 31.121 29.762 -0.491 0.000 1.793 100 H HN 0.157 nan 8.280 nan 0.000 0.551 101 S N 2.094 117.896 115.700 0.170 0.000 2.430 101 S HA 0.331 4.801 4.470 0.000 0.000 0.289 101 S C 0.155 174.818 174.600 0.105 0.000 1.143 101 S CA -0.694 57.576 58.200 0.116 0.000 1.067 101 S CB -0.677 62.570 63.200 0.079 0.000 0.964 101 S HN 0.353 nan 8.310 nan 0.000 0.485 102 I N 5.606 126.191 120.570 0.025 0.000 2.529 102 I HA 0.197 4.367 4.170 0.000 0.000 0.284 102 I C 1.392 177.438 176.117 -0.119 0.000 1.082 102 I CA -0.322 60.903 61.300 -0.124 0.000 1.406 102 I CB 0.727 38.455 38.000 -0.454 0.000 1.405 102 I HN 0.753 nan 8.210 nan 0.000 0.548 103 N N 3.632 122.249 118.700 -0.137 0.000 2.171 103 N HA 0.126 4.866 4.740 0.000 0.000 0.212 103 N C -0.649 174.780 175.510 -0.135 0.000 1.184 103 N CA -0.096 52.874 53.050 -0.134 0.000 0.888 103 N CB 0.876 39.249 38.487 -0.189 0.000 1.038 103 N HN 0.689 nan 8.380 nan 0.000 0.517 104 D N -0.836 119.456 120.400 -0.181 0.000 2.722 104 D HA 0.323 4.964 4.640 0.000 0.000 0.231 104 D C -2.004 174.201 176.300 -0.158 0.000 1.218 104 D CA -0.370 53.592 54.000 -0.063 0.000 0.753 104 D CB 0.862 41.655 40.800 -0.012 0.000 1.471 104 D HN -0.044 nan 8.370 nan 0.000 0.455 105 Y N 0.470 120.782 120.300 0.020 0.000 2.485 105 Y HA 0.698 5.248 4.550 0.000 0.000 0.345 105 Y C -0.080 175.884 175.900 0.106 0.000 0.998 105 Y CA -0.949 57.178 58.100 0.044 0.000 1.059 105 Y CB 2.612 41.085 38.460 0.022 0.000 1.234 105 Y HN 0.207 nan 8.280 nan 0.000 0.461 106 S N 3.023 118.927 115.700 0.340 0.000 2.775 106 S HA 0.555 5.025 4.470 0.000 0.000 0.277 106 S C -1.168 173.715 174.600 0.472 0.000 1.156 106 S CA -0.496 57.929 58.200 0.375 0.000 1.081 106 S CB -0.130 63.297 63.200 0.378 0.000 1.054 106 S HN 0.567 nan 8.310 nan 0.000 0.482 107 I N 4.584 125.272 120.570 0.198 0.000 2.416 107 I HA 0.208 4.378 4.170 0.000 0.000 0.288 107 I C 0.974 176.864 176.117 -0.377 0.000 1.051 107 I CA -0.426 60.860 61.300 -0.023 0.000 1.375 107 I CB 1.366 39.264 38.000 -0.171 0.000 1.407 107 I HN 0.701 nan 8.210 nan 0.000 0.516 108 S N 7.859 123.009 115.700 -0.916 0.000 2.558 108 S HA 0.073 4.543 4.470 0.000 0.000 0.288 108 S C -1.281 172.992 174.600 -0.546 0.000 1.318 108 S CA -0.997 56.311 58.200 -1.487 0.000 1.056 108 S CB 0.339 62.640 63.200 -1.498 0.000 0.853 108 S HN 0.550 nan 8.310 nan 0.000 0.505 109 P HA -0.164 nan 4.420 nan 0.000 0.222 109 P C 0.710 177.956 177.300 -0.089 0.000 1.142 109 P CA 1.196 64.218 63.100 -0.131 0.000 0.788 109 P CB 0.062 31.719 31.700 -0.072 0.000 0.767 110 D N -0.316 120.009 120.400 -0.124 0.000 2.144 110 D HA -0.052 4.589 4.640 0.000 0.000 0.200 110 D C 1.827 178.122 176.300 -0.010 0.000 0.978 110 D CA 1.904 55.887 54.000 -0.028 0.000 0.833 110 D CB -0.642 40.195 40.800 0.062 0.000 0.961 110 D HN 0.235 nan 8.370 nan 0.000 0.470 111 G N -0.106 108.671 108.800 -0.038 0.000 2.176 111 G HA2 -0.347 3.613 3.960 0.000 0.000 0.253 111 G HA3 -0.347 3.613 3.960 0.000 0.000 0.253 111 G C 1.054 175.993 174.900 0.066 0.000 0.979 111 G CA 0.566 45.732 45.100 0.110 0.000 0.641 111 G HN 0.445 nan 8.290 nan 0.000 0.530 112 Q N -1.254 118.470 119.800 -0.125 0.000 2.398 112 Q HA 0.425 4.765 4.340 0.000 0.000 0.204 112 Q C -0.034 175.504 176.000 -0.770 0.000 0.932 112 Q CA 0.529 56.070 55.803 -0.437 0.000 0.916 112 Q CB 0.374 28.771 28.738 -0.569 0.000 1.024 112 Q HN 0.530 nan 8.270 nan 0.000 0.504 113 F N -0.394 119.506 119.950 -0.084 0.000 2.588 113 F HA 0.489 5.017 4.527 0.000 0.000 0.310 113 F C -0.578 175.297 175.800 0.125 0.000 1.082 113 F CA -0.997 57.016 58.000 0.022 0.000 0.929 113 F CB 1.620 40.638 39.000 0.030 0.000 1.254 113 F HN -0.246 nan 8.300 nan 0.000 0.455 114 I N 3.600 124.493 120.570 0.539 0.000 2.410 114 I HA 0.280 4.450 4.170 0.000 0.000 0.286 114 I C -1.253 175.162 176.117 0.496 0.000 1.009 114 I CA -0.913 60.682 61.300 0.492 0.000 1.111 114 I CB 1.846 40.129 38.000 0.472 0.000 1.262 114 I HN 0.306 nan 8.210 nan 0.000 0.443 115 L N 8.113 129.661 121.223 0.542 0.000 2.313 115 L HA 0.384 4.724 4.340 0.000 0.000 0.282 115 L C -0.747 176.216 176.870 0.155 0.000 1.092 115 L CA 0.247 55.278 54.840 0.317 0.000 0.831 115 L CB 0.486 42.671 42.059 0.210 0.000 1.159 115 L HN 0.428 nan 8.230 nan 0.000 0.442 116 L N 5.621 126.856 121.223 0.020 0.000 2.276 116 L HA 0.455 4.795 4.340 0.000 0.000 0.286 116 L C -0.020 176.821 176.870 -0.048 0.000 1.024 116 L CA -0.360 54.343 54.840 -0.230 0.000 0.826 116 L CB 1.328 43.014 42.059 -0.623 0.000 1.211 116 L HN 0.627 nan 8.230 nan 0.000 0.422 117 E N 4.492 124.616 120.200 -0.126 0.000 2.146 117 E HA 0.387 4.737 4.350 0.000 0.000 0.282 117 E C -1.533 174.985 176.600 -0.138 0.000 0.989 117 E CA -0.502 55.733 56.400 -0.275 0.000 0.799 117 E CB 0.938 30.536 29.700 -0.171 0.000 1.088 117 E HN 0.446 nan 8.360 nan 0.000 0.397 118 Y N 1.797 121.870 120.300 -0.379 0.000 2.715 118 Y HA 0.455 5.005 4.550 0.000 0.000 0.331 118 Y C -0.078 175.694 175.900 -0.213 0.000 1.197 118 Y CA -1.802 56.169 58.100 -0.216 0.000 1.079 118 Y CB 0.456 38.853 38.460 -0.105 0.000 1.298 118 Y HN 0.511 nan 8.280 nan 0.000 0.477 119 N N -0.473 118.158 118.700 -0.114 0.000 2.754 119 N HA -0.289 4.451 4.740 0.000 0.000 0.248 119 N C -0.939 174.490 175.510 -0.135 0.000 1.093 119 N CA 0.923 53.869 53.050 -0.173 0.000 0.699 119 N CB -1.565 36.684 38.487 -0.397 0.000 1.016 119 N HN 0.859 nan 8.380 nan 0.000 0.552 120 Y N 0.301 120.488 120.300 -0.188 0.000 2.702 120 Y HA 0.213 4.763 4.550 0.000 0.000 0.336 120 Y C 0.328 176.163 175.900 -0.108 0.000 1.235 120 Y CA 0.329 58.314 58.100 -0.191 0.000 1.492 120 Y CB 0.735 39.055 38.460 -0.234 0.000 1.308 120 Y HN -0.002 nan 8.280 nan 0.000 0.589 121 V N 7.632 127.081 119.914 -0.774 0.000 2.568 121 V HA 0.148 4.268 4.120 0.000 0.000 0.276 121 V C -0.402 175.289 176.094 -0.673 0.000 1.002 121 V CA -1.420 60.564 62.300 -0.526 0.000 0.879 121 V CB 1.147 32.819 31.823 -0.251 0.000 1.040 121 V HN 0.765 nan 8.190 nan 0.000 0.457 122 K N 3.369 123.371 120.400 -0.663 0.000 2.485 122 K HA 0.177 4.497 4.320 0.000 0.000 0.277 122 K C 0.433 176.898 176.600 -0.224 0.000 0.990 122 K CA 0.434 56.529 56.287 -0.321 0.000 0.994 122 K CB 1.235 33.754 32.500 0.032 0.000 0.906 122 K HN 0.800 nan 8.250 nan 0.000 0.488 123 Q N 3.086 122.746 119.800 -0.233 0.000 2.653 123 Q HA 0.189 4.529 4.340 0.000 0.000 0.212 123 Q C -0.095 175.766 176.000 -0.232 0.000 0.951 123 Q CA -0.466 55.012 55.803 -0.541 0.000 0.535 123 Q CB 0.145 28.351 28.738 -0.885 0.000 3.737 123 Q HN 0.731 nan 8.270 nan 0.000 0.401 124 W N 0.217 121.530 121.300 0.022 0.000 1.833 124 W HA 0.312 4.973 4.660 0.000 0.000 0.593 124 W C 1.755 178.280 176.519 0.010 0.000 1.936 124 W CA -0.636 56.750 57.345 0.069 0.000 2.192 124 W CB -0.075 29.389 29.460 0.007 0.000 2.633 124 W HN 0.394 nan 8.180 nan 0.000 0.783 125 R N -0.316 120.309 120.500 0.208 0.000 2.097 125 R HA -0.198 4.142 4.340 0.000 0.000 0.236 125 R C 1.900 178.112 176.300 -0.145 0.000 1.135 125 R CA 2.301 58.351 56.100 -0.083 0.000 0.934 125 R CB -0.773 29.296 30.300 -0.384 0.000 0.846 125 R HN 0.456 nan 8.270 nan 0.000 0.431 126 H N -0.829 118.329 119.070 0.147 0.000 2.604 126 H HA 0.229 4.785 4.556 0.000 0.000 0.273 126 H C 0.609 176.035 175.328 0.162 0.000 0.971 126 H CA 0.617 56.770 56.048 0.174 0.000 1.249 126 H CB -0.030 29.806 29.762 0.123 0.000 1.449 126 H HN 0.303 nan 8.280 nan 0.000 0.512 127 S N 1.030 116.749 115.700 0.032 0.000 2.614 127 S HA 0.378 4.848 4.470 0.000 0.000 0.265 127 S C -0.305 174.181 174.600 -0.191 0.000 1.303 127 S CA -0.429 57.513 58.200 -0.430 0.000 1.000 127 S CB 0.935 63.362 63.200 -1.290 0.000 0.935 127 S HN 0.467 nan 8.310 nan 0.000 0.551 128 Y N -2.740 117.416 120.300 -0.240 0.000 2.889 128 Y HA 0.575 5.125 4.550 0.000 0.000 0.379 128 Y C -0.864 175.007 175.900 -0.049 0.000 1.179 128 Y CA -0.822 57.139 58.100 -0.232 0.000 1.178 128 Y CB 0.248 38.540 38.460 -0.279 0.000 1.460 128 Y HN 0.957 nan 8.280 nan 0.000 0.472 129 T N -0.067 114.577 114.554 0.150 0.000 2.942 129 T HA 1.043 5.393 4.350 0.000 0.000 0.289 129 T C -0.452 174.354 174.700 0.176 0.000 1.044 129 T CA -0.232 61.968 62.100 0.167 0.000 1.023 129 T CB 1.781 70.675 68.868 0.043 0.000 1.123 129 T HN 2.088 nan 8.240 nan 0.000 0.512 130 A N 0.671 123.559 122.820 0.115 0.000 2.567 130 A HA 0.689 5.009 4.320 0.000 0.000 0.291 130 A C -0.509 176.854 177.584 -0.368 0.000 1.048 130 A CA -0.978 50.958 52.037 -0.169 0.000 0.661 130 A CB 0.763 19.631 19.000 -0.220 0.000 1.288 130 A HN 0.870 nan 8.150 nan 0.000 0.424 131 S N -0.542 114.702 115.700 -0.760 0.000 2.646 131 S HA 0.811 5.281 4.470 0.000 0.000 0.276 131 S C -1.296 172.691 174.600 -1.023 0.000 1.222 131 S CA 0.021 57.696 58.200 -0.874 0.000 1.014 131 S CB 0.495 62.841 63.200 -1.424 0.000 0.991 131 S HN 0.480 nan 8.310 nan 0.000 0.533 132 Y N -0.172 119.934 120.300 -0.323 0.000 2.513 132 Y HA 0.466 5.016 4.550 0.000 0.000 0.340 132 Y C -0.404 175.551 175.900 0.093 0.000 1.055 132 Y CA -0.911 57.151 58.100 -0.064 0.000 1.020 132 Y CB 1.888 40.226 38.460 -0.204 0.000 1.301 132 Y HN 0.508 nan 8.280 nan 0.000 0.453 133 D N 2.201 122.786 120.400 0.309 0.000 2.645 133 D HA 0.572 5.212 4.640 0.000 0.000 0.228 133 D C -1.105 175.265 176.300 0.117 0.000 1.148 133 D CA -0.352 53.773 54.000 0.207 0.000 0.860 133 D CB 2.882 43.866 40.800 0.307 0.000 1.548 133 D HN 0.408 nan 8.370 nan 0.000 0.460 134 I N 1.832 122.477 120.570 0.125 0.000 2.406 134 I HA 0.209 4.379 4.170 0.000 0.000 0.290 134 I C -1.000 175.293 176.117 0.294 0.000 0.999 134 I CA -0.953 60.466 61.300 0.198 0.000 1.124 134 I CB 1.657 39.742 38.000 0.141 0.000 1.289 134 I HN 0.234 nan 8.210 nan 0.000 0.441 135 Y N 5.993 126.426 120.300 0.222 0.000 2.367 135 Y HA 0.228 4.778 4.550 0.000 0.000 0.342 135 Y C 0.086 176.184 175.900 0.331 0.000 0.979 135 Y CA -0.553 57.700 58.100 0.255 0.000 1.161 135 Y CB 0.794 39.429 38.460 0.290 0.000 1.155 135 Y HN 0.478 nan 8.280 nan 0.000 0.503 136 D N 6.806 127.160 120.400 -0.076 0.000 2.352 136 D HA 0.055 4.695 4.640 0.000 0.000 0.245 136 D C 0.726 176.743 176.300 -0.471 0.000 1.224 136 D CA 0.239 54.163 54.000 -0.128 0.000 0.879 136 D CB 0.839 41.645 40.800 0.010 0.000 1.057 136 D HN 0.873 nan 8.370 nan 0.000 0.491 137 L N 3.590 124.590 121.223 -0.371 0.000 2.275 137 L HA -0.120 4.220 4.340 0.000 0.000 0.215 137 L C 2.057 178.766 176.870 -0.269 0.000 1.119 137 L CA 0.343 55.046 54.840 -0.228 0.000 0.790 137 L CB -0.267 41.754 42.059 -0.063 0.000 0.919 137 L HN 0.371 nan 8.230 nan 0.000 0.443 138 N N 1.320 119.809 118.700 -0.351 0.000 2.142 138 N HA -0.168 4.573 4.740 0.000 0.000 0.186 138 N C 1.531 176.925 175.510 -0.193 0.000 1.023 138 N CA 1.423 54.318 53.050 -0.258 0.000 0.852 138 N CB -0.053 38.272 38.487 -0.271 0.000 0.998 138 N HN 0.559 nan 8.380 nan 0.000 0.424 139 K N 0.356 120.631 120.400 -0.209 0.000 2.358 139 K HA 0.251 4.571 4.320 0.000 0.000 0.200 139 K C -0.253 176.238 176.600 -0.181 0.000 1.030 139 K CA -0.277 55.917 56.287 -0.155 0.000 1.097 139 K CB 0.562 32.993 32.500 -0.114 0.000 0.862 139 K HN -0.122 nan 8.250 nan 0.000 0.534 140 R N 1.064 121.390 120.500 -0.289 0.000 3.205 140 R HA -0.190 4.150 4.340 0.000 0.000 0.249 140 R C -0.908 175.202 176.300 -0.317 0.000 0.937 140 R CA 0.578 56.486 56.100 -0.320 0.000 0.641 140 R CB -1.773 28.505 30.300 -0.037 0.000 1.114 140 R HN 0.436 nan 8.270 nan 0.000 0.451 141 Q N 0.060 119.531 119.800 -0.548 0.000 2.391 141 Q HA 0.502 4.842 4.340 0.000 0.000 0.279 141 Q C -1.073 174.838 176.000 -0.148 0.000 1.028 141 Q CA -0.716 54.978 55.803 -0.181 0.000 0.836 141 Q CB 1.707 30.402 28.738 -0.071 0.000 1.414 141 Q HN 0.317 nan 8.270 nan 0.000 0.397 142 L N 3.243 124.558 121.223 0.153 0.000 2.380 142 L HA 0.384 4.724 4.340 0.000 0.000 0.273 142 L C -0.008 176.941 176.870 0.132 0.000 1.138 142 L CA -0.338 54.643 54.840 0.235 0.000 0.832 142 L CB 0.503 42.753 42.059 0.318 0.000 1.124 142 L HN 0.614 nan 8.230 nan 0.000 0.454 143 I N 2.577 123.224 120.570 0.129 0.000 2.517 143 I HA -0.036 4.134 4.170 0.000 0.000 0.285 143 I C 1.389 177.548 176.117 0.071 0.000 1.106 143 I CA 0.115 61.466 61.300 0.085 0.000 1.402 143 I CB 1.201 39.245 38.000 0.073 0.000 1.399 143 I HN 0.757 nan 8.210 nan 0.000 0.535 144 T N 1.561 116.145 114.554 0.050 0.000 3.040 144 T HA 0.067 4.417 4.350 0.000 0.000 0.252 144 T C 0.620 175.325 174.700 0.009 0.000 1.064 144 T CA -0.179 61.943 62.100 0.037 0.000 1.110 144 T CB 0.095 68.984 68.868 0.036 0.000 0.921 144 T HN 0.611 nan 8.240 nan 0.000 0.480 145 E N 1.544 121.743 120.200 -0.001 0.000 2.248 145 E HA 0.246 4.596 4.350 0.000 0.000 0.272 145 E C -0.419 176.155 176.600 -0.044 0.000 1.008 145 E CA -0.619 55.769 56.400 -0.021 0.000 0.856 145 E CB 0.796 30.488 29.700 -0.015 0.000 1.120 145 E HN 0.157 nan 8.360 nan 0.000 0.397 146 E N -0.082 120.080 120.200 -0.063 0.000 2.539 146 E HA -0.260 4.090 4.350 0.000 0.000 0.253 146 E C 0.119 176.643 176.600 -0.128 0.000 1.145 146 E CA 1.121 57.466 56.400 -0.092 0.000 0.738 146 E CB -1.756 27.898 29.700 -0.077 0.000 1.308 146 E HN 0.749 nan 8.360 nan 0.000 0.409 147 R N -0.050 120.374 120.500 -0.127 0.000 2.784 147 R HA 0.365 4.705 4.340 0.000 0.000 0.266 147 R C 0.879 177.008 176.300 -0.285 0.000 1.044 147 R CA -0.411 55.593 56.100 -0.160 0.000 1.151 147 R CB 0.419 30.664 30.300 -0.092 0.000 1.037 147 R HN 0.026 nan 8.270 nan 0.000 0.478 148 I N 2.084 122.434 120.570 -0.366 0.000 2.710 148 I HA 0.040 4.211 4.170 0.000 0.000 0.286 148 I C -1.731 174.064 176.117 -0.537 0.000 1.181 148 I CA -1.817 59.108 61.300 -0.625 0.000 1.430 148 I CB 0.314 37.910 38.000 -0.674 0.000 1.367 148 I HN 0.454 nan 8.210 nan 0.000 0.577 149 P HA 0.039 nan 4.420 nan 0.000 0.268 149 P C -0.732 176.279 177.300 -0.482 0.000 1.205 149 P CA -0.152 62.467 63.100 -0.800 0.000 0.771 149 P CB 0.334 31.011 31.700 -1.704 0.000 0.858 150 N N 3.137 121.659 118.700 -0.296 0.000 2.508 150 N HA 0.041 4.781 4.740 0.000 0.000 0.264 150 N C 0.479 176.007 175.510 0.029 0.000 1.216 150 N CA 0.413 53.375 53.050 -0.145 0.000 0.943 150 N CB -0.342 38.073 38.487 -0.121 0.000 1.113 150 N HN 0.408 nan 8.380 nan 0.000 0.447 151 N N -0.977 117.752 118.700 0.049 0.000 2.869 151 N HA -0.145 4.595 4.740 0.000 0.000 0.249 151 N C -0.936 174.749 175.510 0.293 0.000 1.104 151 N CA 0.513 53.656 53.050 0.155 0.000 0.760 151 N CB -1.655 36.955 38.487 0.205 0.000 1.108 151 N HN 0.468 nan 8.380 nan 0.000 0.555 152 T N 1.110 115.817 114.554 0.256 0.000 2.888 152 T HA 0.092 4.442 4.350 0.000 0.000 0.301 152 T C 1.738 176.606 174.700 0.280 0.000 1.001 152 T CA 0.191 62.460 62.100 0.282 0.000 1.147 152 T CB 1.150 70.061 68.868 0.072 0.000 0.931 152 T HN 0.166 nan 8.240 nan 0.000 0.541 153 Q N 1.669 121.624 119.800 0.257 0.000 2.302 153 Q HA 0.148 4.489 4.340 0.000 0.000 0.202 153 Q C 0.177 176.336 176.000 0.266 0.000 0.936 153 Q CA 0.425 56.396 55.803 0.280 0.000 0.886 153 Q CB 0.731 29.600 28.738 0.220 0.000 0.986 153 Q HN 0.727 nan 8.270 nan 0.000 0.487 154 W N -0.220 121.027 121.300 -0.088 0.000 3.571 154 W HA 0.455 5.116 4.660 0.000 0.000 0.294 154 W C -2.347 174.067 176.519 -0.174 0.000 1.257 154 W CA -0.637 56.605 57.345 -0.172 0.000 1.206 154 W CB 1.167 30.442 29.460 -0.308 0.000 1.325 154 W HN -0.361 nan 8.180 nan 0.000 0.546 155 V N 3.425 122.596 119.914 -1.238 0.000 2.888 155 V HA 0.700 4.821 4.120 0.000 0.000 0.309 155 V C -0.531 174.803 176.094 -1.266 0.000 1.114 155 V CA -0.602 61.061 62.300 -1.062 0.000 0.940 155 V CB 1.929 33.113 31.823 -1.065 0.000 1.021 155 V HN 0.491 nan 8.190 nan 0.000 0.426 156 T N 2.851 117.009 114.554 -0.661 0.000 3.105 156 T HA 0.488 4.838 4.350 0.000 0.000 0.321 156 T C -1.492 173.214 174.700 0.010 0.000 1.135 156 T CA -0.303 61.631 62.100 -0.276 0.000 1.053 156 T CB 0.683 69.611 68.868 0.100 0.000 1.133 156 T HN 0.511 nan 8.240 nan 0.000 0.463 157 W N 3.336 124.654 121.300 0.030 0.000 2.161 157 W HA 0.466 5.126 4.660 0.000 0.000 0.344 157 W C 1.291 177.678 176.519 -0.220 0.000 1.262 157 W CA -0.553 56.772 57.345 -0.033 0.000 1.270 157 W CB 0.655 30.092 29.460 -0.038 0.000 1.126 157 W HN 0.792 nan 8.180 nan 0.000 0.598 158 S N 1.216 116.687 115.700 -0.381 0.000 2.608 158 S HA 0.140 4.611 4.470 0.000 0.000 0.261 158 S C -1.880 172.422 174.600 -0.497 0.000 1.314 158 S CA -0.943 56.446 58.200 -1.352 0.000 0.992 158 S CB 0.577 62.816 63.200 -1.600 0.000 0.935 158 S HN 0.285 nan 8.310 nan 0.000 0.564 159 P HA 0.020 nan 4.420 nan 0.000 0.230 159 P C 1.065 178.304 177.300 -0.102 0.000 1.158 159 P CA 0.652 63.681 63.100 -0.118 0.000 0.769 159 P CB -0.061 31.615 31.700 -0.040 0.000 0.807 160 V N -6.339 113.472 119.914 -0.172 0.000 3.177 160 V HA 0.446 4.566 4.120 0.000 0.000 0.220 160 V C 1.511 177.527 176.094 -0.130 0.000 1.395 160 V CA 0.753 62.983 62.300 -0.116 0.000 1.317 160 V CB -0.817 30.949 31.823 -0.095 0.000 1.148 160 V HN 0.016 nan 8.190 nan 0.000 0.499 161 G N 1.604 110.285 108.800 -0.198 0.000 3.287 161 G HA2 0.262 4.222 3.960 0.000 0.000 0.172 161 G HA3 0.262 4.222 3.960 0.000 0.000 0.172 161 G C 0.661 175.472 174.900 -0.148 0.000 1.922 161 G CA 0.618 45.582 45.100 -0.227 0.000 0.952 161 G HN 0.956 nan 8.290 nan 0.000 0.520 162 H N -0.749 118.319 119.070 -0.004 0.000 2.907 162 H HA 0.412 4.969 4.556 0.000 0.000 0.233 162 H C -0.438 175.032 175.328 0.238 0.000 1.285 162 H CA -0.479 55.623 56.048 0.090 0.000 0.981 162 H CB -0.207 29.649 29.762 0.157 0.000 2.255 162 H HN 0.151 nan 8.280 nan 0.000 0.601 163 K N 1.686 122.144 120.400 0.097 0.000 2.185 163 K HA 0.513 4.833 4.320 0.000 0.000 0.271 163 K C -0.452 176.278 176.600 0.217 0.000 1.013 163 K CA -0.493 55.848 56.287 0.089 0.000 0.943 163 K CB 1.895 34.293 32.500 -0.171 0.000 0.998 163 K HN 0.151 nan 8.250 nan 0.000 0.468 164 L N 1.380 122.759 121.223 0.260 0.000 2.381 164 L HA 0.577 4.917 4.340 0.000 0.000 0.268 164 L C -0.891 176.187 176.870 0.346 0.000 0.997 164 L CA -0.850 54.098 54.840 0.181 0.000 0.818 164 L CB 2.108 44.104 42.059 -0.104 0.000 1.310 164 L HN 0.688 nan 8.230 nan 0.000 0.416 165 A N 2.948 125.951 122.820 0.305 0.000 2.335 165 A HA 0.781 5.102 4.320 0.000 0.000 0.304 165 A C -1.522 176.069 177.584 0.011 0.000 1.118 165 A CA -0.376 51.708 52.037 0.078 0.000 0.757 165 A CB 0.948 19.867 19.000 -0.134 0.000 1.188 165 A HN 0.643 nan 8.150 nan 0.000 0.460 166 Y N -0.174 120.062 120.300 -0.107 0.000 2.588 166 Y HA 0.785 5.335 4.550 0.000 0.000 0.343 166 Y C -1.190 174.707 175.900 -0.005 0.000 1.065 166 Y CA -1.614 56.396 58.100 -0.150 0.000 1.038 166 Y CB 1.223 39.512 38.460 -0.285 0.000 1.297 166 Y HN 0.356 nan 8.280 nan 0.000 0.467 167 V N 2.370 122.394 119.914 0.182 0.000 2.495 167 V HA 0.361 4.481 4.120 0.000 0.000 0.298 167 V C -1.404 174.877 176.094 0.312 0.000 1.031 167 V CA -0.570 61.824 62.300 0.157 0.000 0.871 167 V CB 1.286 33.132 31.823 0.039 0.000 0.988 167 V HN 0.872 nan 8.190 nan 0.000 0.432 168 W N 4.691 126.046 121.300 0.091 0.000 2.957 168 W HA 0.459 5.119 4.660 0.000 0.000 0.336 168 W C 0.334 176.877 176.519 0.039 0.000 1.087 168 W CA -0.980 56.386 57.345 0.035 0.000 1.235 168 W CB 1.200 30.616 29.460 -0.073 0.000 1.399 168 W HN 0.785 nan 8.180 nan 0.000 0.480 169 N N 5.481 123.844 118.700 -0.562 0.000 2.716 169 N HA -0.359 4.381 4.740 0.000 0.000 0.250 169 N C 0.176 175.518 175.510 -0.279 0.000 1.033 169 N CA 1.035 53.739 53.050 -0.576 0.000 0.727 169 N CB -1.002 36.912 38.487 -0.955 0.000 0.950 169 N HN 0.821 nan 8.380 nan 0.000 0.541 170 N N -1.908 116.697 118.700 -0.158 0.000 2.828 170 N HA -0.173 4.567 4.740 0.000 0.000 0.248 170 N C -1.229 174.225 175.510 -0.093 0.000 1.044 170 N CA 1.142 54.124 53.050 -0.114 0.000 0.851 170 N CB -0.350 38.025 38.487 -0.187 0.000 1.136 170 N HN 0.444 nan 8.380 nan 0.000 0.572 171 D N 0.471 120.831 120.400 -0.067 0.000 2.342 171 D HA 0.492 5.132 4.640 0.000 0.000 0.243 171 D C 0.237 176.447 176.300 -0.150 0.000 1.019 171 D CA -0.396 53.511 54.000 -0.156 0.000 0.864 171 D CB 1.597 42.254 40.800 -0.239 0.000 1.315 171 D HN 0.030 nan 8.370 nan 0.000 0.468 172 I N 1.602 121.923 120.570 -0.415 0.000 2.472 172 I HA 0.226 4.396 4.170 0.000 0.000 0.290 172 I C -0.664 175.055 176.117 -0.664 0.000 1.016 172 I CA -0.340 60.687 61.300 -0.454 0.000 1.348 172 I CB 0.499 38.123 38.000 -0.627 0.000 1.417 172 I HN 0.160 nan 8.210 nan 0.000 0.521 173 Y N 3.792 123.697 120.300 -0.658 0.000 2.492 173 Y HA 0.599 5.149 4.550 0.000 0.000 0.346 173 Y C -0.456 175.088 175.900 -0.593 0.000 0.997 173 Y CA -0.921 56.742 58.100 -0.730 0.000 1.025 173 Y CB 2.084 39.816 38.460 -1.213 0.000 1.263 173 Y HN 0.105 nan 8.280 nan 0.000 0.454 174 V N 3.303 123.148 119.914 -0.115 0.000 2.531 174 V HA 0.460 4.580 4.120 0.000 0.000 0.301 174 V C -0.895 175.337 176.094 0.229 0.000 1.034 174 V CA -1.377 60.962 62.300 0.065 0.000 0.865 174 V CB 1.937 33.809 31.823 0.083 0.000 0.995 174 V HN 0.619 nan 8.190 nan 0.000 0.424 175 K N 4.608 125.149 120.400 0.235 0.000 2.274 175 K HA 0.578 4.898 4.320 0.000 0.000 0.262 175 K C 0.435 177.178 176.600 0.239 0.000 0.961 175 K CA -0.553 55.859 56.287 0.208 0.000 0.833 175 K CB 2.404 34.981 32.500 0.128 0.000 1.102 175 K HN 0.510 nan 8.250 nan 0.000 0.436 176 I N 1.072 121.803 120.570 0.268 0.000 2.584 176 I HA -0.081 4.090 4.170 0.000 0.000 0.255 176 I C 0.276 176.515 176.117 0.204 0.000 1.145 176 I CA 0.977 62.412 61.300 0.226 0.000 1.462 176 I CB 0.294 38.436 38.000 0.236 0.000 1.102 176 I HN 0.477 nan 8.210 nan 0.000 0.433 177 E N 0.281 120.581 120.200 0.167 0.000 2.234 177 E HA 0.238 4.588 4.350 0.000 0.000 0.266 177 E C -1.982 174.610 176.600 -0.013 0.000 0.877 177 E CA -1.853 54.621 56.400 0.124 0.000 0.758 177 E CB 1.701 31.466 29.700 0.108 0.000 1.170 177 E HN -0.209 nan 8.360 nan 0.000 0.415 178 P HA -0.222 nan 4.420 nan 0.000 0.218 178 P C 0.802 178.010 177.300 -0.154 0.000 1.152 178 P CA 1.515 64.445 63.100 -0.284 0.000 0.857 178 P CB 0.240 31.472 31.700 -0.779 0.000 0.787 179 N N -1.818 116.822 118.700 -0.099 0.000 2.235 179 N HA 0.043 4.783 4.740 0.000 0.000 0.209 179 N C -0.064 175.426 175.510 -0.033 0.000 1.122 179 N CA 0.113 53.135 53.050 -0.046 0.000 0.845 179 N CB -0.187 38.295 38.487 -0.009 0.000 1.004 179 N HN 0.078 nan 8.380 nan 0.000 0.499 180 L N 1.060 122.265 121.223 -0.031 0.000 2.352 180 L HA 0.582 4.922 4.340 0.000 0.000 0.269 180 L C -2.133 174.695 176.870 -0.070 0.000 1.034 180 L CA -2.178 52.643 54.840 -0.032 0.000 0.806 180 L CB 1.052 43.112 42.059 0.002 0.000 1.244 180 L HN -0.096 nan 8.230 nan 0.000 0.447 181 P HA 0.105 nan 4.420 nan 0.000 0.267 181 P C -0.968 176.196 177.300 -0.227 0.000 1.200 181 P CA 0.015 63.025 63.100 -0.150 0.000 0.772 181 P CB 0.501 32.103 31.700 -0.163 0.000 0.855 182 S N 1.181 116.798 115.700 -0.137 0.000 2.610 182 S HA 0.324 4.794 4.470 0.000 0.000 0.273 182 S C -0.599 173.893 174.600 -0.180 0.000 1.274 182 S CA -0.126 58.031 58.200 -0.072 0.000 1.023 182 S CB 0.036 63.320 63.200 0.141 0.000 0.962 182 S HN 0.246 nan 8.310 nan 0.000 0.523 183 Y N 1.437 121.752 120.300 0.025 0.000 2.434 183 Y HA 0.304 4.854 4.550 0.000 0.000 0.341 183 Y C 0.908 176.693 175.900 -0.191 0.000 0.965 183 Y CA -0.589 57.491 58.100 -0.033 0.000 1.205 183 Y CB 0.495 38.943 38.460 -0.020 0.000 1.121 183 Y HN 0.363 nan 8.280 nan 0.000 0.507 184 R N 4.305 124.708 120.500 -0.162 0.000 2.399 184 R HA 0.051 4.391 4.340 0.000 0.000 0.324 184 R C 0.537 176.571 176.300 -0.443 0.000 1.030 184 R CA 0.304 56.003 56.100 -0.667 0.000 0.984 184 R CB 0.311 30.076 30.300 -0.893 0.000 0.961 184 R HN 0.760 nan 8.270 nan 0.000 0.433 185 I N 1.073 121.313 120.570 -0.550 0.000 2.480 185 I HA -0.058 4.112 4.170 0.000 0.000 0.251 185 I C 1.368 177.292 176.117 -0.321 0.000 1.124 185 I CA 1.109 62.198 61.300 -0.351 0.000 1.444 185 I CB -0.474 37.272 38.000 -0.425 0.000 1.098 185 I HN 0.343 nan 8.210 nan 0.000 0.428 186 T N -1.476 112.773 114.554 -0.508 0.000 2.893 186 T HA 0.365 4.715 4.350 0.000 0.000 0.291 186 T C -1.265 173.203 174.700 -0.386 0.000 1.028 186 T CA -0.369 61.542 62.100 -0.315 0.000 0.995 186 T CB 1.194 69.856 68.868 -0.344 0.000 1.051 186 T HN 0.158 nan 8.240 nan 0.000 0.470 187 W N 1.632 122.822 121.300 -0.183 0.000 2.499 187 W HA 0.242 4.903 4.660 0.000 0.000 0.362 187 W C 1.847 178.311 176.519 -0.092 0.000 0.945 187 W CA -0.150 57.119 57.345 -0.128 0.000 1.721 187 W CB 0.173 29.576 29.460 -0.095 0.000 1.156 187 W HN 0.817 nan 8.180 nan 0.000 0.547 188 T N -3.033 111.569 114.554 0.080 0.000 3.040 188 T HA 0.285 4.636 4.350 0.000 0.000 0.250 188 T C 1.236 175.943 174.700 0.010 0.000 1.058 188 T CA 0.198 62.329 62.100 0.052 0.000 0.988 188 T CB -0.092 68.803 68.868 0.045 0.000 0.993 188 T HN -0.006 nan 8.240 nan 0.000 0.519 189 G N 1.224 110.003 108.800 -0.035 0.000 2.321 189 G HA2 0.357 4.317 3.960 0.000 0.000 0.237 189 G HA3 0.357 4.317 3.960 0.000 0.000 0.237 189 G C -0.636 174.213 174.900 -0.086 0.000 1.282 189 G CA -0.349 44.708 45.100 -0.071 0.000 0.886 189 G HN 0.564 nan 8.290 nan 0.000 0.528 190 K N 1.568 121.898 120.400 -0.116 0.000 2.589 190 K HA 0.152 4.472 4.320 0.000 0.000 0.253 190 K C -0.200 176.290 176.600 -0.183 0.000 0.974 190 K CA -0.646 55.569 56.287 -0.119 0.000 0.835 190 K CB 1.493 33.959 32.500 -0.056 0.000 1.272 190 K HN 0.659 nan 8.250 nan 0.000 0.444 191 E N 3.477 123.565 120.200 -0.186 0.000 2.966 191 E HA -0.199 4.152 4.350 0.000 0.000 0.254 191 E C -0.525 175.986 176.600 -0.149 0.000 0.923 191 E CA 1.215 57.498 56.400 -0.194 0.000 0.960 191 E CB 0.192 29.812 29.700 -0.133 0.000 0.901 191 E HN 0.654 nan 8.360 nan 0.000 0.525 192 D N 2.341 122.628 120.400 -0.189 0.000 2.978 192 D HA -0.242 4.399 4.640 0.000 0.000 0.205 192 D C 0.624 176.983 176.300 0.099 0.000 1.093 192 D CA 1.409 55.425 54.000 0.026 0.000 1.006 192 D CB -0.485 40.363 40.800 0.079 0.000 1.116 192 D HN 0.409 nan 8.370 nan 0.000 0.419 193 I N -0.396 120.162 120.570 -0.019 0.000 3.632 193 I HA 0.207 4.377 4.170 0.000 0.000 0.246 193 I C 1.138 177.364 176.117 0.180 0.000 1.125 193 I CA 0.464 61.825 61.300 0.102 0.000 1.519 193 I CB -0.041 37.988 38.000 0.048 0.000 1.555 193 I HN -0.126 nan 8.210 nan 0.000 0.452 194 I N 1.149 121.748 120.570 0.048 0.000 2.389 194 I HA 0.240 4.410 4.170 0.000 0.000 0.288 194 I C -1.411 174.751 176.117 0.075 0.000 0.999 194 I CA -0.619 60.774 61.300 0.155 0.000 1.129 194 I CB 1.526 39.585 38.000 0.098 0.000 1.288 194 I HN -0.010 nan 8.210 nan 0.000 0.444 195 Y N 4.771 125.176 120.300 0.175 0.000 2.342 195 Y HA 0.386 4.936 4.550 0.000 0.000 0.338 195 Y C 0.119 176.100 175.900 0.135 0.000 0.965 195 Y CA -1.077 57.130 58.100 0.179 0.000 1.159 195 Y CB 0.776 39.417 38.460 0.303 0.000 1.157 195 Y HN 0.429 nan 8.280 nan 0.000 0.486 196 N N 2.345 121.135 118.700 0.150 0.000 2.469 196 N HA 0.361 5.101 4.740 0.000 0.000 0.253 196 N C 0.859 176.341 175.510 -0.046 0.000 0.970 196 N CA 0.445 53.521 53.050 0.044 0.000 0.940 196 N CB 1.754 40.180 38.487 -0.101 0.000 1.128 196 N HN 0.977 nan 8.380 nan 0.000 0.503 197 G N 1.582 110.379 108.800 -0.005 0.000 2.199 197 G HA2 -0.247 3.714 3.960 0.000 0.000 0.254 197 G HA3 -0.247 3.714 3.960 0.000 0.000 0.254 197 G C 0.124 174.899 174.900 -0.210 0.000 0.982 197 G CA 0.554 45.575 45.100 -0.132 0.000 0.632 197 G HN 0.636 nan 8.290 nan 0.000 0.529 198 I N -1.371 119.150 120.570 -0.082 0.000 2.934 198 I HA 0.844 5.014 4.170 0.000 0.000 0.306 198 I C 0.328 176.536 176.117 0.151 0.000 1.110 198 I CA -0.618 60.549 61.300 -0.221 0.000 1.019 198 I CB 2.038 39.757 38.000 -0.469 0.000 1.227 198 I HN 0.193 nan 8.210 nan 0.000 0.434 199 T N -0.592 114.003 114.554 0.068 0.000 2.902 199 T HA 0.411 4.761 4.350 0.000 0.000 0.280 199 T C -0.239 174.326 174.700 -0.225 0.000 0.992 199 T CA -0.643 61.367 62.100 -0.150 0.000 1.015 199 T CB 1.363 70.198 68.868 -0.055 0.000 1.044 199 T HN 0.780 nan 8.240 nan 0.000 0.520 200 D N -0.171 119.824 120.400 -0.675 0.000 2.451 200 D HA 0.057 4.697 4.640 0.000 0.000 0.259 200 D C 0.941 177.189 176.300 -0.088 0.000 1.201 200 D CA -1.136 52.485 54.000 -0.632 0.000 1.028 200 D CB 0.131 40.478 40.800 -0.755 0.000 1.095 200 D HN 0.717 nan 8.370 nan 0.000 0.539 201 W N 0.399 121.681 121.300 -0.029 0.000 2.317 201 W HA -0.238 4.422 4.660 0.000 0.000 0.318 201 W C 2.132 178.555 176.519 -0.160 0.000 1.227 201 W CA 2.496 59.816 57.345 -0.042 0.000 1.269 201 W CB -0.442 28.939 29.460 -0.132 0.000 1.155 201 W HN 0.208 nan 8.180 nan 0.000 0.484 202 V N -0.188 119.771 119.914 0.076 0.000 2.626 202 V HA -0.275 3.845 4.120 0.000 0.000 0.252 202 V C 1.788 177.674 176.094 -0.346 0.000 1.067 202 V CA 1.931 64.140 62.300 -0.152 0.000 1.081 202 V CB -0.692 31.059 31.823 -0.120 0.000 0.686 202 V HN 0.308 nan 8.190 nan 0.000 0.468 203 Y N 0.590 120.676 120.300 -0.356 0.000 2.286 203 Y HA -0.107 4.443 4.550 0.000 0.000 0.293 203 Y C 2.558 178.333 175.900 -0.209 0.000 1.124 203 Y CA 2.001 59.890 58.100 -0.351 0.000 1.178 203 Y CB -0.027 38.092 38.460 -0.567 0.000 1.010 203 Y HN 0.384 nan 8.280 nan 0.000 0.536 204 E N 0.316 120.473 120.200 -0.071 0.000 2.031 204 E HA -0.288 4.062 4.350 0.000 0.000 0.193 204 E C 2.004 178.552 176.600 -0.086 0.000 0.994 204 E CA 1.599 57.993 56.400 -0.011 0.000 0.800 204 E CB 0.003 29.693 29.700 -0.016 0.000 0.752 204 E HN 0.368 nan 8.360 nan 0.000 0.447 205 E N 0.284 120.235 120.200 -0.415 0.000 2.046 205 E HA -0.147 4.204 4.350 0.000 0.000 0.190 205 E C 1.666 178.125 176.600 -0.235 0.000 0.982 205 E CA 1.507 57.641 56.400 -0.443 0.000 0.800 205 E CB 0.132 29.194 29.700 -1.065 0.000 0.756 205 E HN 0.223 nan 8.360 nan 0.000 0.449 206 E N -0.759 119.271 120.200 -0.282 0.000 2.460 206 E HA 0.093 4.443 4.350 0.000 0.000 0.200 206 E C 1.661 178.106 176.600 -0.259 0.000 1.011 206 E CA 0.303 56.588 56.400 -0.191 0.000 0.912 206 E CB 0.978 30.559 29.700 -0.198 0.000 0.953 206 E HN 0.195 nan 8.360 nan 0.000 0.494 207 V N -0.562 119.142 119.914 -0.349 0.000 2.870 207 V HA 0.053 4.173 4.120 0.000 0.000 0.232 207 V C 1.327 177.223 176.094 -0.331 0.000 1.161 207 V CA 0.634 62.653 62.300 -0.469 0.000 1.204 207 V CB -0.208 31.119 31.823 -0.826 0.000 1.003 207 V HN 0.018 nan 8.190 nan 0.000 0.499 208 F N 0.672 120.633 119.950 0.017 0.000 2.749 208 F HA 0.310 4.837 4.527 0.000 0.000 0.300 208 F C 1.541 177.322 175.800 -0.031 0.000 1.103 208 F CA 0.031 58.065 58.000 0.058 0.000 1.342 208 F CB -0.384 38.702 39.000 0.143 0.000 1.098 208 F HN 0.063 nan 8.300 nan 0.000 0.586 209 S N 0.646 116.403 115.700 0.094 0.000 3.549 209 S HA 0.012 4.482 4.470 0.000 0.000 0.366 209 S C 0.094 174.386 174.600 -0.514 0.000 1.012 209 S CA 0.467 58.648 58.200 -0.032 0.000 1.141 209 S CB -1.675 61.525 63.200 0.000 0.000 0.910 209 S HN 0.667 nan 8.310 nan 0.000 0.471 210 A N -0.456 122.246 122.820 -0.196 0.000 2.599 210 A HA 0.651 4.971 4.320 0.000 0.000 0.294 210 A C -0.324 177.245 177.584 -0.025 0.000 1.055 210 A CA -0.496 51.393 52.037 -0.246 0.000 0.683 210 A CB 0.253 19.110 19.000 -0.240 0.000 1.278 210 A HN 0.361 nan 8.150 nan 0.000 0.412 211 Y N 1.513 121.661 120.300 -0.252 0.000 2.475 211 Y HA 0.193 4.743 4.550 0.000 0.000 0.289 211 Y C 1.504 177.086 175.900 -0.531 0.000 1.121 211 Y CA 1.004 58.946 58.100 -0.264 0.000 1.257 211 Y CB 0.016 38.350 38.460 -0.210 0.000 1.026 211 Y HN 0.714 nan 8.280 nan 0.000 0.555 212 S N 0.532 115.681 115.700 -0.918 0.000 2.549 212 S HA 0.457 4.927 4.470 0.000 0.000 0.279 212 S C 0.443 174.495 174.600 -0.913 0.000 1.321 212 S CA 0.137 57.542 58.200 -1.325 0.000 1.054 212 S CB 0.665 62.879 63.200 -1.643 0.000 0.899 212 S HN 0.419 nan 8.310 nan 0.000 0.497 213 A N 4.161 126.459 122.820 -0.869 0.000 2.610 213 A HA 0.505 4.825 4.320 0.000 0.000 0.290 213 A C -0.714 176.224 177.584 -1.077 0.000 1.001 213 A CA -0.579 50.956 52.037 -0.837 0.000 1.004 213 A CB -0.358 18.572 19.000 -0.117 0.000 1.220 213 A HN 0.910 nan 8.150 nan 0.000 0.507 214 L N -4.636 115.814 121.223 -1.290 0.000 2.431 214 L HA 0.846 5.186 4.340 0.000 0.000 0.266 214 L C -1.265 175.155 176.870 -0.749 0.000 0.978 214 L CA -1.227 53.168 54.840 -0.741 0.000 0.822 214 L CB 0.960 42.811 42.059 -0.347 0.000 1.310 214 L HN 0.214 nan 8.230 nan 0.000 0.409 215 W N 2.114 123.468 121.300 0.090 0.000 2.463 215 W HA 0.338 4.998 4.660 0.000 0.000 0.316 215 W C -1.280 175.464 176.519 0.375 0.000 1.004 215 W CA -0.771 56.741 57.345 0.279 0.000 1.309 215 W CB 1.427 31.110 29.460 0.372 0.000 1.288 215 W HN 0.626 nan 8.180 nan 0.000 0.423 216 W N 2.300 123.790 121.300 0.317 0.000 2.158 216 W HA 0.179 4.839 4.660 0.000 0.000 0.339 216 W C 1.315 177.652 176.519 -0.303 0.000 1.294 216 W CA 0.372 57.769 57.345 0.086 0.000 1.231 216 W CB 0.727 30.212 29.460 0.040 0.000 1.143 216 W HN 0.187 nan 8.180 nan 0.000 0.571 217 S N 2.184 117.642 115.700 -0.404 0.000 2.593 217 S HA 0.178 4.648 4.470 0.000 0.000 0.269 217 S C -1.793 172.516 174.600 -0.486 0.000 1.334 217 S CA -1.032 56.348 58.200 -1.367 0.000 1.015 217 S CB 1.044 63.556 63.200 -1.147 0.000 0.912 217 S HN 0.278 nan 8.310 nan 0.000 0.541 218 P HA -0.195 nan 4.420 nan 0.000 0.217 218 P C 1.047 178.300 177.300 -0.078 0.000 1.158 218 P CA 1.662 64.710 63.100 -0.086 0.000 0.887 218 P CB -0.164 31.542 31.700 0.011 0.000 0.792 219 N N -1.722 116.917 118.700 -0.101 0.000 2.270 219 N HA 0.076 4.816 4.740 0.000 0.000 0.198 219 N C 1.012 176.435 175.510 -0.145 0.000 1.117 219 N CA 0.715 53.707 53.050 -0.098 0.000 0.845 219 N CB -0.704 37.742 38.487 -0.070 0.000 0.980 219 N HN 0.183 nan 8.380 nan 0.000 0.486 220 G N -0.503 108.208 108.800 -0.149 0.000 2.143 220 G HA2 -0.301 3.659 3.960 0.000 0.000 0.248 220 G HA3 -0.301 3.659 3.960 0.000 0.000 0.248 220 G C 0.690 175.578 174.900 -0.021 0.000 0.991 220 G CA 0.800 45.807 45.100 -0.156 0.000 0.689 220 G HN 0.406 nan 8.290 nan 0.000 0.522 221 T N -0.366 114.118 114.554 -0.116 0.000 2.852 221 T HA 0.314 4.664 4.350 0.000 0.000 0.256 221 T C 0.688 175.211 174.700 -0.296 0.000 1.038 221 T CA 0.929 62.854 62.100 -0.291 0.000 1.141 221 T CB 0.022 68.554 68.868 -0.560 0.000 0.869 221 T HN 0.239 nan 8.240 nan 0.000 0.439 222 F N 1.128 121.116 119.950 0.063 0.000 2.421 222 F HA 0.590 5.117 4.527 0.000 0.000 0.337 222 F C -0.239 175.638 175.800 0.128 0.000 1.105 222 F CA -1.903 56.173 58.000 0.126 0.000 1.049 222 F CB 1.055 40.212 39.000 0.262 0.000 1.139 222 F HN -0.085 nan 8.300 nan 0.000 0.479 223 L N 3.752 125.127 121.223 0.253 0.000 2.301 223 L HA 0.763 5.103 4.340 0.000 0.000 0.278 223 L C -0.354 176.607 176.870 0.151 0.000 1.022 223 L CA -0.588 54.221 54.840 -0.053 0.000 0.854 223 L CB 0.176 41.965 42.059 -0.451 0.000 1.226 223 L HN 0.641 nan 8.230 nan 0.000 0.429 224 A N 5.000 127.992 122.820 0.286 0.000 2.302 224 A HA 0.737 5.058 4.320 0.000 0.000 0.285 224 A C -1.255 176.424 177.584 0.159 0.000 1.105 224 A CA -0.145 51.948 52.037 0.094 0.000 0.816 224 A CB 0.424 19.567 19.000 0.239 0.000 1.067 224 A HN 0.928 nan 8.150 nan 0.000 0.489 225 Y N -2.065 118.064 120.300 -0.284 0.000 2.604 225 Y HA 0.689 5.239 4.550 0.000 0.000 0.331 225 Y C -0.419 175.394 175.900 -0.146 0.000 1.158 225 Y CA -0.804 57.241 58.100 -0.093 0.000 1.056 225 Y CB 0.631 38.994 38.460 -0.161 0.000 1.330 225 Y HN 0.960 nan 8.280 nan 0.000 0.457 226 A N 2.525 125.464 122.820 0.197 0.000 2.294 226 A HA 0.717 5.037 4.320 0.000 0.000 0.330 226 A C -1.088 176.411 177.584 -0.142 0.000 1.133 226 A CA -0.833 51.178 52.037 -0.043 0.000 0.836 226 A CB 1.732 20.698 19.000 -0.057 0.000 1.190 226 A HN 0.818 nan 8.150 nan 0.000 0.492 227 Q N 0.562 120.175 119.800 -0.311 0.000 2.337 227 Q HA 0.602 4.942 4.340 0.000 0.000 0.270 227 Q C -2.129 173.619 176.000 -0.420 0.000 1.043 227 Q CA -0.380 55.340 55.803 -0.138 0.000 0.794 227 Q CB 1.230 30.123 28.738 0.258 0.000 1.281 227 Q HN 0.595 nan 8.270 nan 0.000 0.446 228 F N 2.320 122.370 119.950 0.166 0.000 2.482 228 F HA 0.397 4.925 4.527 0.000 0.000 0.331 228 F C 0.333 176.270 175.800 0.228 0.000 1.115 228 F CA -0.919 57.145 58.000 0.106 0.000 0.955 228 F CB 1.485 40.446 39.000 -0.066 0.000 1.136 228 F HN 0.401 nan 8.300 nan 0.000 0.452 229 N N 2.345 121.255 118.700 0.350 0.000 2.511 229 N HA 0.200 4.941 4.740 0.000 0.000 0.249 229 N C -0.739 174.937 175.510 0.277 0.000 0.971 229 N CA -0.198 53.026 53.050 0.289 0.000 0.938 229 N CB 1.058 39.666 38.487 0.201 0.000 1.131 229 N HN 0.596 nan 8.380 nan 0.000 0.505 230 D N 1.253 121.841 120.400 0.315 0.000 2.363 230 D HA 0.100 4.740 4.640 0.000 0.000 0.214 230 D C 1.319 177.740 176.300 0.202 0.000 1.093 230 D CA 0.154 54.315 54.000 0.268 0.000 0.837 230 D CB 0.578 41.586 40.800 0.347 0.000 0.948 230 D HN 0.458 nan 8.370 nan 0.000 0.507 231 T N 0.618 115.277 114.554 0.174 0.000 2.668 231 T HA -0.264 4.087 4.350 0.000 0.000 0.265 231 T C 1.329 176.091 174.700 0.104 0.000 1.041 231 T CA 1.475 63.650 62.100 0.125 0.000 1.160 231 T CB -0.125 68.805 68.868 0.104 0.000 0.857 231 T HN 0.340 nan 8.240 nan 0.000 0.455 232 E N 0.217 120.478 120.200 0.102 0.000 2.465 232 E HA 0.176 4.526 4.350 0.000 0.000 0.195 232 E C -0.431 176.223 176.600 0.090 0.000 1.028 232 E CA -0.249 56.201 56.400 0.083 0.000 0.899 232 E CB 0.555 30.297 29.700 0.070 0.000 1.032 232 E HN 0.222 nan 8.360 nan 0.000 0.468 233 V N 3.537 123.520 119.914 0.114 0.000 2.488 233 V HA 0.112 4.232 4.120 0.000 0.000 0.277 233 V C -2.062 174.096 176.094 0.108 0.000 1.046 233 V CA -1.635 60.737 62.300 0.119 0.000 0.986 233 V CB 0.483 32.396 31.823 0.149 0.000 0.989 233 V HN 0.036 nan 8.190 nan 0.000 0.475 234 P HA 0.248 nan 4.420 nan 0.000 0.269 234 P C -0.928 176.417 177.300 0.075 0.000 1.215 234 P CA -0.253 62.890 63.100 0.072 0.000 0.780 234 P CB 0.478 32.217 31.700 0.065 0.000 0.898 235 L N 2.798 124.042 121.223 0.036 0.000 2.307 235 L HA 0.443 4.784 4.340 0.000 0.000 0.284 235 L C 0.220 177.047 176.870 -0.073 0.000 1.023 235 L CA -0.669 54.177 54.840 0.010 0.000 0.810 235 L CB 1.018 43.083 42.059 0.009 0.000 1.231 235 L HN 0.299 nan 8.230 nan 0.000 0.423 236 I N 2.364 122.842 120.570 -0.154 0.000 2.428 236 I HA 0.314 4.484 4.170 0.000 0.000 0.289 236 I C -0.357 175.619 176.117 -0.234 0.000 1.019 236 I CA 0.299 61.399 61.300 -0.332 0.000 1.351 236 I CB 0.622 38.165 38.000 -0.762 0.000 1.412 236 I HN 0.631 nan 8.210 nan 0.000 0.513 237 E N 7.099 127.177 120.200 -0.202 0.000 2.266 237 E HA 0.537 4.888 4.350 0.000 0.000 0.268 237 E C -1.800 174.754 176.600 -0.077 0.000 0.879 237 E CA -0.622 55.671 56.400 -0.178 0.000 0.762 237 E CB 2.145 31.759 29.700 -0.143 0.000 1.199 237 E HN 0.578 nan 8.360 nan 0.000 0.422 238 Y N -1.928 118.285 120.300 -0.144 0.000 2.609 238 Y HA 0.558 5.108 4.550 0.000 0.000 0.336 238 Y C -0.832 175.007 175.900 -0.102 0.000 1.129 238 Y CA -1.229 56.798 58.100 -0.122 0.000 1.040 238 Y CB 0.932 39.328 38.460 -0.106 0.000 1.310 238 Y HN 0.231 nan 8.280 nan 0.000 0.460 239 S N 2.069 117.771 115.700 0.004 0.000 2.562 239 S HA 0.508 4.978 4.470 0.000 0.000 0.275 239 S C -1.434 173.033 174.600 -0.222 0.000 1.281 239 S CA -0.405 57.663 58.200 -0.221 0.000 1.045 239 S CB 0.546 63.490 63.200 -0.427 0.000 0.962 239 S HN 0.535 nan 8.310 nan 0.000 0.503 240 F N 2.390 122.081 119.950 -0.431 0.000 2.477 240 F HA 0.437 4.964 4.527 0.000 0.000 0.335 240 F C -0.230 175.328 175.800 -0.403 0.000 1.130 240 F CA -1.014 56.821 58.000 -0.274 0.000 0.948 240 F CB 0.752 39.715 39.000 -0.062 0.000 1.154 240 F HN 0.649 nan 8.300 nan 0.000 0.439 241 Y N 2.811 122.872 120.300 -0.398 0.000 2.420 241 Y HA 0.097 4.647 4.550 0.000 0.000 0.292 241 Y C 1.787 177.550 175.900 -0.228 0.000 1.119 241 Y CA 1.130 59.079 58.100 -0.252 0.000 1.229 241 Y CB -0.638 37.684 38.460 -0.231 0.000 1.026 241 Y HN 0.749 nan 8.280 nan 0.000 0.554 242 S N -0.381 115.103 115.700 -0.359 0.000 3.387 242 S HA -0.226 4.244 4.470 0.000 0.000 0.633 242 S C -0.599 174.001 174.600 -0.000 0.000 2.641 242 S CA 0.359 58.522 58.200 -0.062 0.000 2.931 242 S CB -1.263 62.041 63.200 0.173 0.000 0.327 242 S HN 0.434 nan 8.310 nan 0.000 1.716 243 D N 1.648 122.085 120.400 0.061 0.000 2.372 243 D HA 0.231 4.871 4.640 0.000 0.000 0.243 243 D C 1.348 177.668 176.300 0.034 0.000 1.121 243 D CA 0.376 54.404 54.000 0.046 0.000 0.898 243 D CB 0.534 41.369 40.800 0.057 0.000 1.202 243 D HN 0.595 nan 8.370 nan 0.000 0.428 244 E N 0.859 121.071 120.200 0.019 0.000 2.169 244 E HA -0.283 4.067 4.350 0.000 0.000 0.202 244 E C 1.494 178.102 176.600 0.014 0.000 1.016 244 E CA 1.667 58.072 56.400 0.009 0.000 0.817 244 E CB 0.139 29.840 29.700 0.002 0.000 0.736 244 E HN 0.469 nan 8.360 nan 0.000 0.462 245 S N 0.126 115.840 115.700 0.023 0.000 2.442 245 S HA -0.113 4.357 4.470 0.000 0.000 0.236 245 S C 1.161 175.782 174.600 0.035 0.000 1.007 245 S CA 0.168 58.383 58.200 0.026 0.000 0.965 245 S CB -0.242 62.977 63.200 0.030 0.000 0.773 245 S HN 0.283 nan 8.310 nan 0.000 0.504 246 L N 2.367 123.618 121.223 0.046 0.000 2.456 246 L HA 0.144 4.484 4.340 0.000 0.000 0.277 246 L C 1.603 178.503 176.870 0.050 0.000 1.124 246 L CA -0.061 54.818 54.840 0.065 0.000 0.880 246 L CB 0.967 43.075 42.059 0.081 0.000 1.192 246 L HN 0.429 nan 8.230 nan 0.000 0.463 247 Q N 4.354 124.190 119.800 0.060 0.000 2.016 247 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 247 Q C -0.553 175.382 176.000 -0.108 0.000 0.978 247 Q CA 1.529 57.320 55.803 -0.020 0.000 0.833 247 Q CB 0.111 28.867 28.738 0.030 0.000 0.895 247 Q HN 0.602 nan 8.270 nan 0.000 0.427 248 Y N 0.690 120.998 120.300 0.013 0.000 2.341 248 Y HA 0.386 4.936 4.550 0.000 0.000 0.337 248 Y C -2.037 173.863 175.900 -0.001 0.000 1.014 248 Y CA -2.999 55.105 58.100 0.006 0.000 1.111 248 Y CB 1.163 39.620 38.460 -0.005 0.000 1.194 248 Y HN 0.175 nan 8.280 nan 0.000 0.462 249 P HA 0.045 nan 4.420 nan 0.000 0.266 249 P C -0.891 176.406 177.300 -0.005 0.000 1.195 249 P CA -0.392 62.702 63.100 -0.010 0.000 0.768 249 P CB 0.506 32.149 31.700 -0.095 0.000 0.838 250 K N 0.354 120.737 120.400 -0.029 0.000 2.123 250 K HA 0.608 4.929 4.320 0.000 0.000 0.248 250 K C -0.849 175.704 176.600 -0.078 0.000 0.969 250 K CA -0.677 55.599 56.287 -0.018 0.000 0.882 250 K CB 0.766 33.283 32.500 0.029 0.000 1.080 250 K HN 0.175 nan 8.250 nan 0.000 0.441 251 T N 1.626 116.121 114.554 -0.100 0.000 2.772 251 T HA 0.235 4.585 4.350 0.000 0.000 0.288 251 T C -0.472 174.096 174.700 -0.220 0.000 0.994 251 T CA -0.718 61.285 62.100 -0.161 0.000 0.951 251 T CB 1.146 69.935 68.868 -0.131 0.000 0.933 251 T HN 0.375 nan 8.240 nan 0.000 0.447 252 V N 5.848 125.525 119.914 -0.395 0.000 2.461 252 V HA 0.452 4.572 4.120 0.000 0.000 0.275 252 V C 0.365 176.183 176.094 -0.461 0.000 1.047 252 V CA -0.608 61.400 62.300 -0.487 0.000 0.955 252 V CB 0.470 31.773 31.823 -0.867 0.000 0.988 252 V HN 0.788 nan 8.190 nan 0.000 0.471 253 R N 3.968 124.336 120.500 -0.221 0.000 2.532 253 R HA 0.847 5.187 4.340 0.000 0.000 0.297 253 R C -1.456 174.840 176.300 -0.006 0.000 0.984 253 R CA -0.755 55.266 56.100 -0.133 0.000 0.884 253 R CB 2.174 32.421 30.300 -0.089 0.000 1.182 253 R HN 0.457 nan 8.270 nan 0.000 0.442 254 V N 2.343 122.268 119.914 0.018 0.000 2.668 254 V HA 0.439 4.559 4.120 0.000 0.000 0.304 254 V C -2.758 173.419 176.094 0.137 0.000 1.071 254 V CA -2.500 59.887 62.300 0.146 0.000 0.894 254 V CB 2.478 34.439 31.823 0.229 0.000 1.008 254 V HN 0.614 nan 8.190 nan 0.000 0.425 255 P HA 0.138 nan 4.420 nan 0.000 0.258 255 P C -1.724 175.719 177.300 0.239 0.000 1.187 255 P CA 0.766 63.996 63.100 0.216 0.000 0.767 255 P CB -0.374 31.492 31.700 0.277 0.000 0.770 256 Y N 6.446 126.752 120.300 0.011 0.000 2.298 256 Y HA 0.367 4.917 4.550 0.000 0.000 0.322 256 Y C -2.811 173.082 175.900 -0.011 0.000 1.138 256 Y CA -2.856 55.212 58.100 -0.053 0.000 1.127 256 Y CB 1.749 40.056 38.460 -0.256 0.000 1.178 256 Y HN 0.271 nan 8.280 nan 0.000 0.428 257 P HA 0.278 nan 4.420 nan 0.000 0.287 257 P C -1.064 176.312 177.300 0.128 0.000 1.307 257 P CA -0.237 62.931 63.100 0.113 0.000 0.777 257 P CB 1.490 33.227 31.700 0.061 0.000 0.883 258 K N 2.022 122.557 120.400 0.226 0.000 2.090 258 K HA 0.531 4.851 4.320 0.000 0.000 0.250 258 K C 0.449 177.148 176.600 0.165 0.000 1.004 258 K CA -0.792 55.640 56.287 0.242 0.000 0.919 258 K CB 0.736 33.394 32.500 0.263 0.000 1.045 258 K HN 0.448 nan 8.250 nan 0.000 0.471 259 A N 1.007 123.946 122.820 0.198 0.000 2.592 259 A HA 0.202 4.522 4.320 0.000 0.000 0.250 259 A C 1.235 178.852 177.584 0.055 0.000 1.017 259 A CA 1.211 53.348 52.037 0.167 0.000 0.794 259 A CB -1.374 17.798 19.000 0.287 0.000 0.917 259 A HN 0.940 nan 8.150 nan 0.000 0.515 260 G N 0.992 109.817 108.800 0.041 0.000 2.205 260 G HA2 0.095 4.055 3.960 0.000 0.000 0.261 260 G HA3 0.095 4.055 3.960 0.000 0.000 0.261 260 G C 0.741 175.654 174.900 0.021 0.000 0.980 260 G CA 0.892 45.993 45.100 0.001 0.000 0.632 260 G HN 2.224 nan 8.290 nan 0.000 0.533 261 A N -0.492 122.359 122.820 0.051 0.000 2.251 261 A HA 0.710 5.031 4.320 0.000 0.000 0.278 261 A C 0.821 178.439 177.584 0.056 0.000 1.206 261 A CA 0.425 52.496 52.037 0.058 0.000 0.822 261 A CB 0.493 19.545 19.000 0.085 0.000 1.187 261 A HN 1.133 nan 8.150 nan 0.000 0.504 262 V N 2.502 122.452 119.914 0.060 0.000 2.439 262 V HA 0.078 4.198 4.120 0.000 0.000 0.271 262 V C 0.277 176.419 176.094 0.081 0.000 1.040 262 V CA -0.425 61.911 62.300 0.060 0.000 1.002 262 V CB -0.104 31.754 31.823 0.059 0.000 1.000 262 V HN 0.754 nan 8.190 nan 0.000 0.477 263 N N 6.625 125.373 118.700 0.079 0.000 2.445 263 N HA 0.404 5.144 4.740 0.000 0.000 0.264 263 N C -2.273 173.321 175.510 0.140 0.000 1.227 263 N CA -1.278 51.842 53.050 0.116 0.000 0.963 263 N CB 1.062 39.624 38.487 0.124 0.000 1.188 263 N HN 0.393 nan 8.380 nan 0.000 0.491 264 P HA 0.121 nan 4.420 nan 0.000 0.276 264 P C -0.491 176.957 177.300 0.247 0.000 1.244 264 P CA -0.198 63.042 63.100 0.234 0.000 0.801 264 P CB 0.567 32.429 31.700 0.270 0.000 1.006 265 T N -1.533 113.148 114.554 0.211 0.000 2.944 265 T HA 0.575 4.925 4.350 0.000 0.000 0.284 265 T C -0.196 174.628 174.700 0.206 0.000 1.010 265 T CA -0.820 61.370 62.100 0.150 0.000 1.025 265 T CB 1.445 70.371 68.868 0.096 0.000 1.079 265 T HN 0.346 nan 8.240 nan 0.000 0.516 266 V N 0.287 120.294 119.914 0.155 0.000 2.876 266 V HA 0.766 4.886 4.120 0.000 0.000 0.312 266 V C -1.506 174.655 176.094 0.111 0.000 1.085 266 V CA -0.889 61.470 62.300 0.098 0.000 0.945 266 V CB 2.062 33.974 31.823 0.148 0.000 1.017 266 V HN 1.040 nan 8.190 nan 0.000 0.428 267 K N 4.244 124.630 120.400 -0.024 0.000 2.469 267 K HA 0.552 4.872 4.320 0.000 0.000 0.254 267 K C -1.957 174.477 176.600 -0.277 0.000 0.939 267 K CA -0.474 55.741 56.287 -0.121 0.000 0.812 267 K CB 2.719 35.130 32.500 -0.148 0.000 1.301 267 K HN 0.564 nan 8.250 nan 0.000 0.433 268 F N 2.482 122.061 119.950 -0.619 0.000 2.495 268 F HA 0.585 5.112 4.527 0.000 0.000 0.327 268 F C -1.366 173.818 175.800 -1.026 0.000 1.103 268 F CA -0.680 56.945 58.000 -0.626 0.000 0.949 268 F CB 0.816 39.618 39.000 -0.331 0.000 1.142 268 F HN 0.398 nan 8.300 nan 0.000 0.457 269 F N 3.564 122.805 119.950 -1.181 0.000 2.629 269 F HA 0.769 5.296 4.527 0.000 0.000 0.316 269 F C -1.020 174.121 175.800 -1.098 0.000 1.081 269 F CA -1.225 56.166 58.000 -1.015 0.000 0.954 269 F CB 2.104 40.446 39.000 -1.096 0.000 1.337 269 F HN 0.105 nan 8.300 nan 0.000 0.474 270 V N 2.244 121.932 119.914 -0.376 0.000 2.623 270 V HA 0.566 4.686 4.120 0.000 0.000 0.304 270 V C -1.337 174.823 176.094 0.109 0.000 1.054 270 V CA -0.781 61.370 62.300 -0.249 0.000 0.882 270 V CB 2.014 33.464 31.823 -0.621 0.000 1.002 270 V HN 0.599 nan 8.190 nan 0.000 0.424 271 V N 4.875 124.930 119.914 0.235 0.000 2.540 271 V HA 0.524 4.645 4.120 0.000 0.000 0.302 271 V C -0.085 176.229 176.094 0.366 0.000 1.035 271 V CA -0.573 61.896 62.300 0.282 0.000 0.873 271 V CB 1.888 33.825 31.823 0.189 0.000 0.992 271 V HN 1.002 nan 8.190 nan 0.000 0.428 272 N N 3.530 122.455 118.700 0.375 0.000 2.402 272 N HA 0.116 4.856 4.740 0.000 0.000 0.252 272 N C 1.239 176.777 175.510 0.048 0.000 1.118 272 N CA 0.351 53.536 53.050 0.226 0.000 0.945 272 N CB 1.112 39.721 38.487 0.204 0.000 1.147 272 N HN 0.886 nan 8.380 nan 0.000 0.495 273 T N 0.002 114.565 114.554 0.016 0.000 3.072 273 T HA -0.048 4.302 4.350 0.000 0.000 0.266 273 T C 0.661 175.323 174.700 -0.064 0.000 1.127 273 T CA 0.696 62.797 62.100 0.002 0.000 1.107 273 T CB 0.099 69.065 68.868 0.162 0.000 0.910 273 T HN 0.440 nan 8.240 nan 0.000 0.513 274 D N 0.861 121.206 120.400 -0.093 0.000 2.354 274 D HA 0.159 4.799 4.640 0.000 0.000 0.209 274 D C 1.778 178.029 176.300 -0.082 0.000 1.015 274 D CA 0.313 54.257 54.000 -0.093 0.000 0.867 274 D CB 0.298 41.029 40.800 -0.115 0.000 0.933 274 D HN 0.415 nan 8.370 nan 0.000 0.520 275 S N 0.539 116.196 115.700 -0.072 0.000 2.483 275 S HA 0.090 4.560 4.470 0.000 0.000 0.221 275 S C 1.141 175.690 174.600 -0.085 0.000 1.030 275 S CA -0.367 57.809 58.200 -0.041 0.000 0.925 275 S CB 0.177 63.390 63.200 0.022 0.000 0.795 275 S HN 0.328 nan 8.310 nan 0.000 0.511 276 L N 2.840 123.961 121.223 -0.171 0.000 2.678 276 L HA 0.108 4.448 4.340 0.000 0.000 0.285 276 L C 0.977 177.679 176.870 -0.280 0.000 1.233 276 L CA -0.121 54.552 54.840 -0.278 0.000 0.920 276 L CB -0.159 41.576 42.059 -0.539 0.000 1.176 276 L HN 0.232 nan 8.230 nan 0.000 0.495 277 S N 2.551 118.206 115.700 -0.075 0.000 2.306 277 S HA 0.061 4.531 4.470 0.000 0.000 0.173 277 S C 1.212 175.952 174.600 0.235 0.000 1.105 277 S CA 0.552 58.781 58.200 0.049 0.000 1.383 277 S CB 0.178 63.418 63.200 0.068 0.000 0.808 277 S HN 0.995 nan 8.310 nan 0.000 0.424 278 S N -2.111 113.743 115.700 0.257 0.000 1.574 278 S HA -0.016 4.454 4.470 0.000 0.000 0.114 278 S C 0.644 175.347 174.600 0.170 0.000 0.516 278 S CA 0.401 58.780 58.200 0.299 0.000 1.633 278 S CB -0.963 62.389 63.200 0.254 0.000 0.859 278 S HN 0.379 nan 8.310 nan 0.000 0.309 279 V N 2.153 122.143 119.914 0.126 0.000 3.660 279 V HA 0.385 4.505 4.120 0.000 0.000 0.276 279 V C 0.431 176.569 176.094 0.073 0.000 1.317 279 V CA 1.141 63.492 62.300 0.086 0.000 1.097 279 V CB 0.746 32.608 31.823 0.064 0.000 0.863 279 V HN 0.520 nan 8.190 nan 0.000 0.438 280 T N 0.655 115.262 114.554 0.088 0.000 2.893 280 T HA 0.401 4.751 4.350 0.000 0.000 0.291 280 T C -0.364 174.392 174.700 0.093 0.000 1.028 280 T CA -0.523 61.616 62.100 0.066 0.000 0.995 280 T CB 1.637 70.535 68.868 0.051 0.000 1.051 280 T HN 0.031 nan 8.240 nan 0.000 0.470 281 N N 1.826 120.566 118.700 0.066 0.000 2.520 281 N HA 0.431 5.171 4.740 0.000 0.000 0.273 281 N C 0.151 175.718 175.510 0.095 0.000 1.155 281 N CA -0.219 52.896 53.050 0.109 0.000 0.967 281 N CB 0.857 39.358 38.487 0.024 0.000 1.092 281 N HN 0.851 nan 8.380 nan 0.000 0.457 282 A N 1.982 124.870 122.820 0.115 0.000 2.520 282 A HA 0.191 4.511 4.320 0.000 0.000 0.235 282 A C 0.255 177.878 177.584 0.065 0.000 1.065 282 A CA 0.292 52.368 52.037 0.066 0.000 0.764 282 A CB -0.043 18.978 19.000 0.035 0.000 1.002 282 A HN 0.557 nan 8.150 nan 0.000 0.502 283 T N 2.323 116.921 114.554 0.072 0.000 2.771 283 T HA 0.497 4.848 4.350 0.000 0.000 0.281 283 T C -0.133 174.636 174.700 0.115 0.000 0.982 283 T CA -0.176 61.975 62.100 0.085 0.000 0.978 283 T CB 1.001 69.928 68.868 0.098 0.000 0.930 283 T HN 0.536 nan 8.240 nan 0.000 0.447 284 S N 3.052 118.809 115.700 0.094 0.000 2.474 284 S HA 0.464 4.934 4.470 0.000 0.000 0.321 284 S C -0.128 174.592 174.600 0.199 0.000 1.080 284 S CA -0.707 57.569 58.200 0.126 0.000 1.106 284 S CB 0.344 63.549 63.200 0.009 0.000 0.984 284 S HN 0.469 nan 8.310 nan 0.000 0.464 285 I N 3.142 123.860 120.570 0.246 0.000 2.441 285 I HA 0.218 4.388 4.170 0.000 0.000 0.287 285 I C 0.563 176.821 176.117 0.234 0.000 1.049 285 I CA 0.156 61.618 61.300 0.270 0.000 1.381 285 I CB 0.727 38.962 38.000 0.390 0.000 1.409 285 I HN 0.596 nan 8.210 nan 0.000 0.523 286 Q N 6.153 126.080 119.800 0.211 0.000 2.230 286 Q HA 0.600 4.940 4.340 0.000 0.000 0.253 286 Q C -1.214 174.764 176.000 -0.037 0.000 0.919 286 Q CA -0.573 55.218 55.803 -0.019 0.000 0.908 286 Q CB 1.207 29.921 28.738 -0.040 0.000 1.245 286 Q HN 0.572 nan 8.270 nan 0.000 0.437 287 I N 4.065 124.583 120.570 -0.085 0.000 2.382 287 I HA 0.232 4.402 4.170 0.000 0.000 0.285 287 I C 0.545 176.659 176.117 -0.005 0.000 1.007 287 I CA -0.503 60.808 61.300 0.018 0.000 1.142 287 I CB 1.465 39.520 38.000 0.091 0.000 1.289 287 I HN 0.797 nan 8.210 nan 0.000 0.453 288 T N 3.145 117.653 114.554 -0.078 0.000 2.990 288 T HA 0.807 5.157 4.350 0.000 0.000 0.296 288 T C 0.856 175.336 174.700 -0.367 0.000 1.189 288 T CA 0.238 62.225 62.100 -0.188 0.000 0.938 288 T CB 0.926 69.699 68.868 -0.159 0.000 1.994 288 T HN 0.864 nan 8.240 nan 0.000 0.584 289 A N 0.934 123.483 122.820 -0.451 0.000 6.152 289 A HA -0.044 4.276 4.320 0.000 0.000 0.308 289 A C -2.393 174.590 177.584 -1.002 0.000 1.919 289 A CA 0.283 51.984 52.037 -0.560 0.000 0.811 289 A CB -2.809 15.990 19.000 -0.336 0.000 1.220 289 A HN 0.863 nan 8.150 nan 0.000 0.409 290 P HA 0.392 nan 4.420 nan 0.000 0.269 290 P C 0.893 177.972 177.300 -0.367 0.000 1.215 290 P CA 0.727 63.574 63.100 -0.421 0.000 0.780 290 P CB 0.518 32.046 31.700 -0.287 0.000 0.898 291 A N 2.072 124.749 122.820 -0.238 0.000 1.972 291 A HA -0.163 4.157 4.320 0.000 0.000 0.219 291 A C 1.935 179.410 177.584 -0.182 0.000 1.169 291 A CA 2.119 54.038 52.037 -0.196 0.000 0.635 291 A CB -1.612 17.307 19.000 -0.135 0.000 0.810 291 A HN 0.600 nan 8.150 nan 0.000 0.446 292 S N -2.361 113.248 115.700 -0.152 0.000 2.603 292 S HA 0.077 4.547 4.470 0.000 0.000 0.229 292 S C 1.391 175.906 174.600 -0.142 0.000 0.972 292 S CA 1.340 59.468 58.200 -0.121 0.000 0.935 292 S CB -0.055 63.133 63.200 -0.021 0.000 0.769 292 S HN 0.366 nan 8.310 nan 0.000 0.536 293 M N 0.667 120.123 119.600 -0.241 0.000 2.838 293 M HA 0.510 4.990 4.480 0.000 0.000 0.251 293 M C 1.409 177.445 176.300 -0.440 0.000 1.393 293 M CA 0.809 55.910 55.300 -0.331 0.000 1.196 293 M CB -0.280 32.005 32.600 -0.526 0.000 1.276 293 M HN 0.240 nan 8.290 nan 0.000 0.541 294 L N 0.799 121.753 121.223 -0.449 0.000 2.456 294 L HA -0.079 4.261 4.340 0.000 0.000 0.224 294 L C 2.024 178.815 176.870 -0.132 0.000 1.148 294 L CA 0.681 55.338 54.840 -0.306 0.000 0.825 294 L CB -1.003 40.896 42.059 -0.267 0.000 0.937 294 L HN 0.401 nan 8.230 nan 0.000 0.450 295 I N -2.479 118.013 120.570 -0.131 0.000 2.700 295 I HA 0.080 4.250 4.170 0.000 0.000 0.261 295 I C 1.036 177.124 176.117 -0.049 0.000 1.219 295 I CA 0.739 61.988 61.300 -0.086 0.000 1.463 295 I CB -0.485 37.456 38.000 -0.100 0.000 1.092 295 I HN 0.111 nan 8.210 nan 0.000 0.452 296 G N 0.032 108.820 108.800 -0.020 0.000 2.619 296 G HA2 0.245 4.205 3.960 0.000 0.000 0.305 296 G HA3 0.245 4.205 3.960 0.000 0.000 0.305 296 G C -1.795 173.154 174.900 0.081 0.000 1.330 296 G CA -0.601 44.505 45.100 0.009 0.000 0.789 296 G HN 0.018 nan 8.290 nan 0.000 0.487 297 D N 1.279 121.682 120.400 0.006 0.000 2.443 297 D HA 0.386 5.026 4.640 0.000 0.000 0.239 297 D C 0.377 176.621 176.300 -0.095 0.000 1.136 297 D CA 0.808 54.760 54.000 -0.079 0.000 0.879 297 D CB 0.424 41.136 40.800 -0.147 0.000 1.195 297 D HN 0.555 nan 8.370 nan 0.000 0.443 298 H N -0.706 118.220 119.070 -0.240 0.000 2.933 298 H HA 0.457 5.013 4.556 0.000 0.000 0.310 298 H C -1.389 173.807 175.328 -0.220 0.000 1.351 298 H CA -0.786 55.123 56.048 -0.232 0.000 1.137 298 H CB 0.426 30.191 29.762 0.004 0.000 1.853 298 H HN 0.297 nan 8.280 nan 0.000 0.539 299 Y N -0.183 120.315 120.300 0.331 0.000 2.581 299 Y HA 0.411 4.961 4.550 0.000 0.000 0.345 299 Y C -0.561 175.545 175.900 0.343 0.000 1.036 299 Y CA -1.151 57.125 58.100 0.293 0.000 1.042 299 Y CB 1.976 40.463 38.460 0.045 0.000 1.289 299 Y HN 0.496 nan 8.280 nan 0.000 0.471 300 L N 2.874 124.347 121.223 0.417 0.000 2.255 300 L HA 0.415 4.755 4.340 0.000 0.000 0.289 300 L C 0.395 177.215 176.870 -0.082 0.000 1.046 300 L CA -0.298 54.438 54.840 -0.173 0.000 0.816 300 L CB 0.296 42.209 42.059 -0.243 0.000 1.197 300 L HN 0.980 nan 8.230 nan 0.000 0.427 301 C N 1.253 120.413 119.300 -0.234 0.000 3.065 301 C HA 0.470 4.930 4.460 0.000 0.000 0.285 301 C C 0.334 175.171 174.990 -0.255 0.000 1.257 301 C CA -0.343 58.488 59.018 -0.313 0.000 1.691 301 C CB -0.612 27.015 27.740 -0.189 0.000 2.089 301 C HN 0.838 nan 8.230 nan 0.000 0.630 302 D N 0.145 120.410 120.400 -0.225 0.000 2.803 302 D HA 0.449 5.089 4.640 0.000 0.000 0.218 302 D C -1.833 174.226 176.300 -0.401 0.000 1.245 302 D CA 0.075 53.986 54.000 -0.148 0.000 0.821 302 D CB 2.808 43.514 40.800 -0.156 0.000 1.626 302 D HN 0.062 nan 8.370 nan 0.000 0.487 303 V N 2.462 122.092 119.914 -0.473 0.000 2.482 303 V HA 0.535 4.655 4.120 0.000 0.000 0.295 303 V C -0.437 175.325 176.094 -0.553 0.000 1.026 303 V CA -0.428 61.362 62.300 -0.850 0.000 0.856 303 V CB 1.861 32.647 31.823 -1.729 0.000 1.001 303 V HN 0.635 nan 8.190 nan 0.000 0.424 304 T N 3.582 117.880 114.554 -0.427 0.000 3.031 304 T HA 0.342 4.692 4.350 0.000 0.000 0.305 304 T C -0.821 173.777 174.700 -0.169 0.000 0.985 304 T CA -0.458 61.545 62.100 -0.162 0.000 1.008 304 T CB 0.722 69.556 68.868 -0.057 0.000 1.005 304 T HN 0.522 nan 8.240 nan 0.000 0.444 305 W N 2.017 123.285 121.300 -0.054 0.000 2.190 305 W HA 0.469 5.129 4.660 0.000 0.000 0.330 305 W C 1.144 177.587 176.519 -0.125 0.000 1.299 305 W CA -0.252 57.058 57.345 -0.057 0.000 1.215 305 W CB 0.566 30.068 29.460 0.069 0.000 1.147 305 W HN 0.817 nan 8.180 nan 0.000 0.563 306 A N 1.760 124.529 122.820 -0.085 0.000 1.993 306 A HA 0.247 4.567 4.320 0.000 0.000 0.207 306 A C 0.764 178.353 177.584 0.008 0.000 1.224 306 A CA 1.397 53.203 52.037 -0.385 0.000 0.749 306 A CB -0.213 18.043 19.000 -1.240 0.000 0.884 306 A HN 0.537 nan 8.150 nan 0.000 0.467 307 T N -5.661 108.988 114.554 0.159 0.000 2.645 307 T HA 0.304 4.655 4.350 0.000 0.000 0.300 307 T C -0.027 174.860 174.700 0.311 0.000 1.210 307 T CA -0.379 61.844 62.100 0.205 0.000 1.034 307 T CB 0.572 69.539 68.868 0.164 0.000 1.537 307 T HN -0.091 nan 8.240 nan 0.000 0.492 308 Q N 0.288 120.230 119.800 0.237 0.000 2.364 308 Q HA 0.031 4.371 4.340 0.000 0.000 0.209 308 Q C 0.795 177.070 176.000 0.458 0.000 0.977 308 Q CA 1.431 57.376 55.803 0.236 0.000 0.885 308 Q CB -0.085 28.742 28.738 0.149 0.000 0.941 308 Q HN 0.824 nan 8.270 nan 0.000 0.464 309 E N -0.332 120.146 120.200 0.464 0.000 2.810 309 E HA 0.182 4.533 4.350 0.000 0.000 0.214 309 E C -0.188 176.710 176.600 0.497 0.000 0.980 309 E CA -0.164 56.544 56.400 0.514 0.000 1.159 309 E CB 1.110 30.995 29.700 0.308 0.000 1.047 309 E HN -0.045 nan 8.360 nan 0.000 0.484 310 R N 1.737 122.521 120.500 0.474 0.000 2.502 310 R HA 0.509 4.850 4.340 0.000 0.000 0.300 310 R C -1.609 174.727 176.300 0.059 0.000 0.984 310 R CA -0.404 55.840 56.100 0.242 0.000 0.882 310 R CB 1.227 31.558 30.300 0.050 0.000 1.180 310 R HN 0.061 nan 8.270 nan 0.000 0.444 311 I N 3.091 123.549 120.570 -0.187 0.000 2.569 311 I HA 0.416 4.586 4.170 0.000 0.000 0.296 311 I C -0.717 175.104 176.117 -0.494 0.000 1.028 311 I CA -0.502 60.413 61.300 -0.641 0.000 1.082 311 I CB 2.212 39.414 38.000 -1.329 0.000 1.264 311 I HN 0.816 nan 8.210 nan 0.000 0.429 312 S N 7.356 122.748 115.700 -0.513 0.000 2.537 312 S HA 0.813 5.283 4.470 0.000 0.000 0.301 312 S C -0.969 173.337 174.600 -0.489 0.000 1.092 312 S CA -0.749 57.229 58.200 -0.369 0.000 1.048 312 S CB 1.847 64.938 63.200 -0.182 0.000 1.053 312 S HN 0.543 nan 8.310 nan 0.000 0.501 313 L N 1.305 122.266 121.223 -0.436 0.000 2.431 313 L HA 0.538 4.879 4.340 0.000 0.000 0.266 313 L C -0.623 175.970 176.870 -0.461 0.000 0.978 313 L CA -0.602 53.866 54.840 -0.621 0.000 0.822 313 L CB 2.343 43.942 42.059 -0.767 0.000 1.310 313 L HN 0.683 nan 8.230 nan 0.000 0.409 314 Q N 1.502 120.971 119.800 -0.552 0.000 2.333 314 Q HA 0.462 4.802 4.340 0.000 0.000 0.267 314 Q C -1.801 173.937 176.000 -0.437 0.000 1.012 314 Q CA -0.569 55.034 55.803 -0.334 0.000 0.824 314 Q CB 2.432 31.030 28.738 -0.232 0.000 1.290 314 Q HN 0.406 nan 8.270 nan 0.000 0.449 315 W N 2.661 123.916 121.300 -0.075 0.000 2.689 315 W HA 0.613 5.273 4.660 0.000 0.000 0.340 315 W C -0.947 175.600 176.519 0.047 0.000 1.060 315 W CA -0.656 56.693 57.345 0.007 0.000 1.218 315 W CB 1.045 30.497 29.460 -0.014 0.000 1.410 315 W HN 0.373 nan 8.180 nan 0.000 0.528 316 L N 2.744 124.179 121.223 0.353 0.000 2.385 316 L HA 0.574 4.914 4.340 0.000 0.000 0.273 316 L C -0.064 176.976 176.870 0.284 0.000 0.990 316 L CA -1.170 53.838 54.840 0.281 0.000 0.821 316 L CB 1.306 43.512 42.059 0.244 0.000 1.279 316 L HN 0.408 nan 8.230 nan 0.000 0.412 317 R N 2.374 123.010 120.500 0.228 0.000 2.694 317 R HA 0.189 4.529 4.340 0.000 0.000 0.268 317 R C 1.075 177.402 176.300 0.044 0.000 1.061 317 R CA -0.017 56.160 56.100 0.129 0.000 1.133 317 R CB 0.587 30.959 30.300 0.120 0.000 1.020 317 R HN 0.659 nan 8.270 nan 0.000 0.475 318 R N 1.684 122.120 120.500 -0.107 0.000 2.117 318 R HA -0.110 4.231 4.340 0.000 0.000 0.243 318 R C 0.472 176.792 176.300 0.034 0.000 1.143 318 R CA 1.302 57.313 56.100 -0.149 0.000 0.968 318 R CB 0.096 30.294 30.300 -0.171 0.000 0.863 318 R HN 0.403 nan 8.270 nan 0.000 0.444 319 I N 3.038 123.625 120.570 0.028 0.000 2.293 319 I HA -0.021 4.150 4.170 0.000 0.000 0.299 319 I C 0.259 176.425 176.117 0.080 0.000 1.153 319 I CA 0.519 61.845 61.300 0.044 0.000 1.302 319 I CB 0.505 38.521 38.000 0.028 0.000 1.460 319 I HN 0.351 nan 8.210 nan 0.000 0.552 320 Q N 3.962 123.812 119.800 0.083 0.000 2.430 320 Q HA -0.136 4.204 4.340 0.000 0.000 0.194 320 Q C 0.731 176.803 176.000 0.120 0.000 0.895 320 Q CA 0.262 56.127 55.803 0.104 0.000 1.034 320 Q CB -0.380 28.382 28.738 0.041 0.000 1.061 320 Q HN 0.633 nan 8.270 nan 0.000 0.518 321 N N -0.919 117.855 118.700 0.123 0.000 2.234 321 N HA -0.037 4.703 4.740 0.000 0.000 0.227 321 N C -1.091 174.522 175.510 0.172 0.000 1.151 321 N CA -0.206 52.911 53.050 0.112 0.000 0.865 321 N CB 0.347 38.878 38.487 0.074 0.000 1.066 321 N HN 0.192 nan 8.380 nan 0.000 0.515 322 Y N 1.081 121.404 120.300 0.039 0.000 2.323 322 Y HA 0.487 5.037 4.550 0.000 0.000 0.322 322 Y C -1.280 174.653 175.900 0.055 0.000 1.133 322 Y CA -0.935 57.187 58.100 0.037 0.000 1.093 322 Y CB 1.135 39.608 38.460 0.022 0.000 1.203 322 Y HN 0.160 nan 8.280 nan 0.000 0.427 323 S N 3.929 119.500 115.700 -0.215 0.000 2.599 323 S HA 0.954 5.424 4.470 0.000 0.000 0.294 323 S C -1.710 172.768 174.600 -0.202 0.000 1.094 323 S CA -0.814 57.341 58.200 -0.076 0.000 0.931 323 S CB 2.208 65.400 63.200 -0.013 0.000 1.093 323 S HN 0.455 nan 8.310 nan 0.000 0.488 324 V N 2.038 121.947 119.914 -0.008 0.000 2.760 324 V HA 0.532 4.652 4.120 0.000 0.000 0.309 324 V C -0.710 175.432 176.094 0.080 0.000 1.077 324 V CA -0.649 61.654 62.300 0.004 0.000 0.910 324 V CB 1.954 33.809 31.823 0.055 0.000 1.008 324 V HN 1.029 nan 8.190 nan 0.000 0.424 325 M N 3.578 123.199 119.600 0.035 0.000 2.205 325 M HA 0.532 5.013 4.480 0.000 0.000 0.344 325 M C -1.348 174.986 176.300 0.057 0.000 1.085 325 M CA -0.311 54.995 55.300 0.010 0.000 1.001 325 M CB 1.145 33.704 32.600 -0.068 0.000 1.626 325 M HN 0.617 nan 8.290 nan 0.000 0.442 326 D N 5.119 125.546 120.400 0.044 0.000 2.198 326 D HA 0.552 5.192 4.640 0.000 0.000 0.247 326 D C -0.906 175.383 176.300 -0.018 0.000 1.010 326 D CA -0.025 53.996 54.000 0.036 0.000 0.880 326 D CB 1.915 42.755 40.800 0.066 0.000 1.209 326 D HN 0.595 nan 8.370 nan 0.000 0.451 327 I N 2.002 122.579 120.570 0.013 0.000 2.439 327 I HA 0.271 4.441 4.170 0.000 0.000 0.283 327 I C -0.710 175.414 176.117 0.011 0.000 1.023 327 I CA -0.630 60.666 61.300 -0.007 0.000 1.100 327 I CB 1.318 39.368 38.000 0.082 0.000 1.238 327 I HN 0.148 nan 8.210 nan 0.000 0.445 328 c N 3.776 122.376 118.600 -0.001 0.000 2.379 328 c HA 0.555 5.125 4.570 0.000 0.000 0.323 328 c C -0.292 173.951 174.090 0.255 0.000 1.262 328 c CA -0.813 55.586 56.329 0.117 0.000 1.581 328 c CB 1.079 43.674 42.510 0.141 0.000 2.221 328 c HN 0.579 nan 8.230 nan 0.000 0.497 329 D N 0.551 121.069 120.400 0.197 0.000 2.198 329 D HA 0.275 4.915 4.640 0.000 0.000 0.247 329 D C -0.590 175.639 176.300 -0.119 0.000 1.010 329 D CA -0.223 53.850 54.000 0.122 0.000 0.880 329 D CB 1.255 42.080 40.800 0.042 0.000 1.209 329 D HN 0.608 nan 8.370 nan 0.000 0.451 330 Y N 1.127 121.003 120.300 -0.707 0.000 2.397 330 Y HA 0.177 4.728 4.550 0.000 0.000 0.335 330 Y C -0.080 175.504 175.900 -0.527 0.000 1.213 330 Y CA 0.168 57.520 58.100 -1.246 0.000 1.391 330 Y CB 0.794 38.371 38.460 -1.472 0.000 1.293 330 Y HN 0.144 nan 8.280 nan 0.000 0.557 331 D N 5.112 124.848 120.400 -1.108 0.000 2.440 331 D HA 0.142 4.782 4.640 0.000 0.000 0.252 331 D C 0.159 175.897 176.300 -0.937 0.000 1.180 331 D CA -0.182 53.386 54.000 -0.721 0.000 0.894 331 D CB 0.851 41.402 40.800 -0.416 0.000 1.111 331 D HN 0.864 nan 8.370 nan 0.000 0.544 332 E N 0.967 120.750 120.200 -0.694 0.000 2.070 332 E HA -0.227 4.123 4.350 0.000 0.000 0.197 332 E C 1.914 178.378 176.600 -0.226 0.000 1.004 332 E CA 1.770 57.941 56.400 -0.381 0.000 0.805 332 E CB 0.159 29.820 29.700 -0.065 0.000 0.744 332 E HN 0.550 nan 8.360 nan 0.000 0.451 333 S N 0.835 116.425 115.700 -0.184 0.000 2.368 333 S HA -0.181 4.290 4.470 0.000 0.000 0.225 333 S C 2.183 176.715 174.600 -0.113 0.000 1.030 333 S CA 1.579 59.712 58.200 -0.112 0.000 0.999 333 S CB -0.361 62.786 63.200 -0.088 0.000 0.844 333 S HN 0.291 nan 8.310 nan 0.000 0.459 334 S N 0.003 115.604 115.700 -0.164 0.000 2.503 334 S HA 0.462 4.932 4.470 0.000 0.000 0.215 334 S C 1.745 176.270 174.600 -0.124 0.000 1.003 334 S CA 0.593 58.720 58.200 -0.121 0.000 0.910 334 S CB -0.456 62.676 63.200 -0.112 0.000 0.790 334 S HN 1.531 nan 8.310 nan 0.000 0.514 335 G N 1.653 110.305 108.800 -0.247 0.000 2.189 335 G HA2 -0.295 3.665 3.960 0.000 0.000 0.267 335 G HA3 -0.295 3.665 3.960 0.000 0.000 0.267 335 G C 0.244 175.083 174.900 -0.102 0.000 0.975 335 G CA 0.474 45.473 45.100 -0.168 0.000 0.644 335 G HN 0.639 nan 8.290 nan 0.000 0.537 336 R N -1.677 118.713 120.500 -0.183 0.000 2.606 336 R HA 0.630 4.970 4.340 0.000 0.000 0.249 336 R C -0.708 175.487 176.300 -0.176 0.000 1.127 336 R CA -0.669 55.412 56.100 -0.031 0.000 1.133 336 R CB 0.619 30.921 30.300 0.003 0.000 1.243 336 R HN 0.161 nan 8.270 nan 0.000 0.558 337 W N 0.505 121.807 121.300 0.003 0.000 2.411 337 W HA 0.355 5.015 4.660 0.000 0.000 0.317 337 W C -0.747 175.756 176.519 -0.027 0.000 1.030 337 W CA -0.400 56.945 57.345 -0.001 0.000 1.239 337 W CB 1.131 30.590 29.460 -0.001 0.000 1.304 337 W HN 0.429 nan 8.180 nan 0.000 0.437 338 N N 2.204 120.968 118.700 0.107 0.000 2.421 338 N HA 0.494 5.234 4.740 0.000 0.000 0.285 338 N C -1.278 174.274 175.510 0.070 0.000 1.027 338 N CA -0.509 52.576 53.050 0.058 0.000 0.918 338 N CB 1.014 39.499 38.487 -0.005 0.000 1.152 338 N HN 0.190 nan 8.380 nan 0.000 0.485 339 c N 3.072 121.699 118.600 0.045 0.000 2.357 339 c HA 0.334 4.905 4.570 0.000 0.000 0.300 339 c C 0.323 174.417 174.090 0.007 0.000 1.074 339 c CA -1.121 55.226 56.329 0.030 0.000 1.566 339 c CB -1.432 41.088 42.510 0.017 0.000 1.791 339 c HN 0.632 nan 8.230 nan 0.000 0.415 340 L N 2.558 123.787 121.223 0.011 0.000 2.584 340 L HA 0.069 4.409 4.340 0.000 0.000 0.272 340 L C 0.958 177.820 176.870 -0.013 0.000 1.195 340 L CA 0.435 55.274 54.840 -0.002 0.000 0.920 340 L CB 0.086 42.148 42.059 0.005 0.000 1.173 340 L HN 0.497 nan 8.230 nan 0.000 0.489 341 V N 5.211 125.110 119.914 -0.026 0.000 3.681 341 V HA 0.162 4.282 4.120 0.000 0.000 0.298 341 V C 1.408 177.475 176.094 -0.045 0.000 1.097 341 V CA 0.976 63.252 62.300 -0.039 0.000 1.125 341 V CB 1.133 32.931 31.823 -0.042 0.000 1.140 341 V HN 1.130 nan 8.190 nan 0.000 0.476 342 A N 1.700 124.480 122.820 -0.066 0.000 4.219 342 A HA -0.336 3.984 4.320 0.000 0.000 0.252 342 A C 1.862 179.376 177.584 -0.117 0.000 0.737 342 A CA 2.149 54.137 52.037 -0.082 0.000 1.245 342 A CB -1.802 17.168 19.000 -0.050 0.000 1.105 342 A HN 0.995 nan 8.150 nan 0.000 0.713 343 R N 0.747 121.201 120.500 -0.077 0.000 2.334 343 R HA 0.112 4.452 4.340 0.000 0.000 0.216 343 R C 0.772 177.031 176.300 -0.069 0.000 0.905 343 R CA 0.782 56.861 56.100 -0.035 0.000 1.064 343 R CB -0.010 30.317 30.300 0.046 0.000 1.046 343 R HN 0.870 nan 8.270 nan 0.000 0.508 344 Q N -0.247 119.469 119.800 -0.140 0.000 2.227 344 Q HA 0.219 4.560 4.340 0.000 0.000 0.245 344 Q C -1.273 174.557 176.000 -0.284 0.000 0.926 344 Q CA -0.536 55.219 55.803 -0.080 0.000 0.895 344 Q CB 1.289 30.006 28.738 -0.035 0.000 1.230 344 Q HN 0.167 nan 8.270 nan 0.000 0.450 345 H N 0.688 119.765 119.070 0.011 0.000 2.609 345 H HA 0.459 5.016 4.556 0.000 0.000 0.344 345 H C -0.871 174.426 175.328 -0.053 0.000 1.040 345 H CA -0.582 55.472 56.048 0.010 0.000 1.216 345 H CB 1.346 31.126 29.762 0.030 0.000 1.529 345 H HN 0.529 nan 8.280 nan 0.000 0.519 346 I N 2.182 122.761 120.570 0.014 0.000 2.365 346 I HA 0.191 4.361 4.170 0.000 0.000 0.291 346 I C 0.163 176.211 176.117 -0.115 0.000 1.004 346 I CA -0.108 61.104 61.300 -0.146 0.000 1.311 346 I CB 1.055 38.939 38.000 -0.194 0.000 1.401 346 I HN 0.552 nan 8.210 nan 0.000 0.491 347 E N 8.445 128.530 120.200 -0.191 0.000 2.185 347 E HA 0.561 4.911 4.350 0.000 0.000 0.261 347 E C -1.119 175.382 176.600 -0.165 0.000 0.879 347 E CA -0.703 55.635 56.400 -0.103 0.000 0.756 347 E CB 1.415 31.083 29.700 -0.054 0.000 1.152 347 E HN 0.609 nan 8.360 nan 0.000 0.416 348 M N 1.109 120.652 119.600 -0.094 0.000 2.631 348 M HA 0.636 5.116 4.480 0.000 0.000 0.288 348 M C -1.017 175.283 176.300 0.001 0.000 1.260 348 M CA -0.920 54.353 55.300 -0.045 0.000 0.842 348 M CB 2.318 34.922 32.600 0.006 0.000 1.743 348 M HN 0.224 nan 8.290 nan 0.000 0.461 349 S N -0.584 115.124 115.700 0.014 0.000 2.536 349 S HA 0.626 5.096 4.470 0.000 0.000 0.287 349 S C 0.205 174.805 174.600 -0.000 0.000 1.101 349 S CA 0.048 58.245 58.200 -0.006 0.000 0.950 349 S CB 1.835 65.003 63.200 -0.053 0.000 1.056 349 S HN 0.935 nan 8.310 nan 0.000 0.481 350 T N -0.513 114.040 114.554 -0.002 0.000 3.001 350 T HA 0.095 4.446 4.350 0.000 0.000 0.251 350 T C 1.381 176.073 174.700 -0.014 0.000 1.040 350 T CA 0.790 62.891 62.100 0.001 0.000 0.985 350 T CB -0.298 68.576 68.868 0.010 0.000 1.011 350 T HN 0.666 nan 8.240 nan 0.000 0.509 351 T N -2.130 112.413 114.554 -0.018 0.000 3.014 351 T HA 0.621 4.972 4.350 0.000 0.000 0.250 351 T C 1.149 175.735 174.700 -0.190 0.000 1.060 351 T CA 0.399 62.497 62.100 -0.003 0.000 1.040 351 T CB 0.489 69.422 68.868 0.108 0.000 0.971 351 T HN 0.598 nan 8.240 nan 0.000 0.497 352 G N 0.462 108.989 108.800 -0.455 0.000 2.795 352 G HA2 0.485 4.445 3.960 0.000 0.000 0.127 352 G HA3 0.485 4.445 3.960 0.000 0.000 0.127 352 G C -1.640 173.015 174.900 -0.407 0.000 1.203 352 G CA -0.519 44.070 45.100 -0.851 0.000 1.145 352 G HN 0.499 nan 8.290 nan 0.000 0.580 353 W N -0.202 120.811 121.300 -0.479 0.000 2.492 353 W HA 0.784 5.444 4.660 0.000 0.000 0.373 353 W C -0.544 175.916 176.519 -0.097 0.000 1.323 353 W CA -1.350 55.859 57.345 -0.228 0.000 1.406 353 W CB 0.905 30.203 29.460 -0.269 0.000 1.398 353 W HN 0.271 nan 8.180 nan 0.000 0.671 354 V N 3.004 122.987 119.914 0.115 0.000 2.383 354 V HA 0.711 4.831 4.120 0.000 0.000 0.275 354 V C 0.716 176.873 176.094 0.106 0.000 1.036 354 V CA 0.420 62.744 62.300 0.040 0.000 0.889 354 V CB -0.032 31.815 31.823 0.040 0.000 0.985 354 V HN 1.282 nan 8.190 nan 0.000 0.459 355 G N 5.188 114.006 108.800 0.029 0.000 2.756 355 G HA2 -0.176 3.784 3.960 0.000 0.000 0.678 355 G HA3 -0.176 3.784 3.960 0.000 0.000 0.678 355 G C 0.244 175.219 174.900 0.126 0.000 1.349 355 G CA 0.122 45.270 45.100 0.080 0.000 0.847 355 G HN 0.628 nan 8.290 nan 0.000 0.548 356 R N -0.858 119.716 120.500 0.124 0.000 2.062 356 R HA 0.188 4.529 4.340 0.000 0.000 0.229 356 R C 1.833 178.078 176.300 -0.092 0.000 1.128 356 R CA 2.090 58.210 56.100 0.034 0.000 0.960 356 R CB -0.077 30.248 30.300 0.043 0.000 0.855 356 R HN 0.465 nan 8.270 nan 0.000 0.432 357 F N -0.920 119.171 119.950 0.235 0.000 2.831 357 F HA 0.281 4.808 4.527 0.000 0.000 0.334 357 F C 0.006 175.827 175.800 0.034 0.000 1.071 357 F CA -0.499 57.571 58.000 0.116 0.000 1.172 357 F CB 0.831 39.893 39.000 0.104 0.000 1.054 357 F HN -0.129 nan 8.300 nan 0.000 0.572 358 R N -0.971 119.661 120.500 0.219 0.000 3.033 358 R HA 0.275 4.616 4.340 0.000 0.000 0.284 358 R C -3.366 172.992 176.300 0.096 0.000 0.997 358 R CA -1.608 54.553 56.100 0.102 0.000 0.851 358 R CB 0.017 30.330 30.300 0.021 0.000 1.297 358 R HN -0.356 nan 8.270 nan 0.000 0.518 359 P HA -0.029 nan 4.420 nan 0.000 0.264 359 P C -0.108 177.205 177.300 0.023 0.000 1.193 359 P CA 0.132 63.246 63.100 0.024 0.000 0.763 359 P CB 1.011 32.702 31.700 -0.015 0.000 0.810 360 S N 1.867 117.592 115.700 0.042 0.000 2.572 360 S HA 0.008 4.478 4.470 0.000 0.000 0.267 360 S C 0.234 174.837 174.600 0.005 0.000 1.361 360 S CA -0.544 57.692 58.200 0.060 0.000 1.009 360 S CB 0.503 63.760 63.200 0.095 0.000 0.888 360 S HN 0.609 nan 8.310 nan 0.000 0.553 361 E N 1.834 122.049 120.200 0.026 0.000 2.283 361 E HA 0.304 4.654 4.350 0.000 0.000 0.278 361 E C -2.359 174.163 176.600 -0.129 0.000 1.027 361 E CA -2.379 53.983 56.400 -0.064 0.000 0.843 361 E CB 0.774 30.448 29.700 -0.043 0.000 1.062 361 E HN 0.484 nan 8.360 nan 0.000 0.401 362 P HA 0.175 nan 4.420 nan 0.000 0.282 362 P C -1.111 175.951 177.300 -0.397 0.000 1.249 362 P CA -0.263 62.607 63.100 -0.383 0.000 0.806 362 P CB 0.949 32.112 31.700 -0.895 0.000 0.984 363 H N 2.299 121.337 119.070 -0.054 0.000 2.718 363 H HA 0.291 4.847 4.556 0.000 0.000 0.295 363 H C -0.283 175.134 175.328 0.149 0.000 1.051 363 H CA -0.327 55.793 56.048 0.120 0.000 1.260 363 H CB 0.199 30.075 29.762 0.189 0.000 1.403 363 H HN 0.315 nan 8.280 nan 0.000 0.488 364 F N 1.931 122.049 119.950 0.279 0.000 2.399 364 F HA 0.052 4.579 4.527 0.000 0.000 0.342 364 F C 1.678 177.666 175.800 0.313 0.000 1.106 364 F CA -0.420 57.762 58.000 0.302 0.000 1.196 364 F CB 0.960 40.070 39.000 0.182 0.000 1.163 364 F HN 0.377 nan 8.300 nan 0.000 0.547 365 T N 0.488 115.341 114.554 0.497 0.000 2.701 365 T HA 0.056 4.407 4.350 0.000 0.000 0.303 365 T C 1.177 176.068 174.700 0.318 0.000 1.030 365 T CA -0.742 61.590 62.100 0.387 0.000 1.010 365 T CB 0.580 69.660 68.868 0.353 0.000 1.007 365 T HN 0.569 nan 8.240 nan 0.000 0.532 366 L N 1.241 122.609 121.223 0.242 0.000 2.013 366 L HA -0.096 4.244 4.340 0.000 0.000 0.212 366 L C 1.976 178.956 176.870 0.184 0.000 1.073 366 L CA 2.495 57.450 54.840 0.192 0.000 0.753 366 L CB -1.060 41.089 42.059 0.150 0.000 0.890 366 L HN 0.949 nan 8.230 nan 0.000 0.432 367 D N -1.639 118.870 120.400 0.182 0.000 2.349 367 D HA 0.132 4.772 4.640 0.000 0.000 0.224 367 D C 1.548 177.958 176.300 0.182 0.000 1.029 367 D CA 0.642 54.738 54.000 0.160 0.000 0.879 367 D CB -0.542 40.341 40.800 0.137 0.000 0.906 367 D HN 0.386 nan 8.370 nan 0.000 0.528 368 G N 0.544 109.492 108.800 0.246 0.000 2.212 368 G HA2 -0.429 3.531 3.960 0.000 0.000 0.267 368 G HA3 -0.429 3.531 3.960 0.000 0.000 0.267 368 G C 0.683 175.780 174.900 0.329 0.000 1.002 368 G CA 0.625 45.898 45.100 0.288 0.000 0.729 368 G HN 0.524 nan 8.290 nan 0.000 0.517 369 N N -0.309 118.558 118.700 0.279 0.000 2.336 369 N HA 0.307 5.047 4.740 0.000 0.000 0.189 369 N C 0.805 176.446 175.510 0.219 0.000 1.113 369 N CA 0.532 53.718 53.050 0.226 0.000 0.858 369 N CB 0.310 38.885 38.487 0.147 0.000 0.970 369 N HN 0.633 nan 8.380 nan 0.000 0.471 370 S N -0.224 115.643 115.700 0.279 0.000 2.656 370 S HA 0.740 5.211 4.470 0.000 0.000 0.273 370 S C -1.263 173.457 174.600 0.200 0.000 1.168 370 S CA -1.034 57.216 58.200 0.082 0.000 0.817 370 S CB 1.599 64.766 63.200 -0.056 0.000 1.146 370 S HN 0.162 nan 8.310 nan 0.000 0.475 371 F N -2.275 117.563 119.950 -0.188 0.000 2.770 371 F HA 0.789 5.316 4.527 0.000 0.000 0.313 371 F C -2.403 173.245 175.800 -0.254 0.000 1.154 371 F CA -1.519 56.309 58.000 -0.286 0.000 0.923 371 F CB 0.408 38.846 39.000 -0.936 0.000 1.301 371 F HN 0.619 nan 8.300 nan 0.000 0.449 372 Y N 1.222 121.709 120.300 0.311 0.000 2.468 372 Y HA 0.732 5.282 4.550 0.000 0.000 0.342 372 Y C -0.532 175.555 175.900 0.312 0.000 1.021 372 Y CA -0.900 57.367 58.100 0.279 0.000 1.079 372 Y CB 2.271 40.835 38.460 0.173 0.000 1.226 372 Y HN 0.750 nan 8.280 nan 0.000 0.460 373 K N 0.887 121.534 120.400 0.412 0.000 2.572 373 K HA 0.566 4.886 4.320 0.000 0.000 0.263 373 K C -1.981 174.772 176.600 0.255 0.000 0.932 373 K CA -0.632 55.832 56.287 0.295 0.000 0.838 373 K CB 1.129 33.717 32.500 0.147 0.000 1.366 373 K HN 0.589 nan 8.250 nan 0.000 0.425 374 I N 4.421 125.110 120.570 0.198 0.000 2.471 374 I HA 0.310 4.480 4.170 0.000 0.000 0.286 374 I C 0.308 176.520 176.117 0.159 0.000 1.079 374 I CA -0.335 61.063 61.300 0.163 0.000 1.398 374 I CB 0.169 38.238 38.000 0.116 0.000 1.403 374 I HN 0.683 nan 8.210 nan 0.000 0.530 375 I N 1.721 122.415 120.570 0.207 0.000 3.191 375 I HA 0.478 4.648 4.170 0.000 0.000 0.313 375 I C -0.517 175.701 176.117 0.168 0.000 1.193 375 I CA -0.803 60.610 61.300 0.188 0.000 0.968 375 I CB 2.236 40.382 38.000 0.242 0.000 1.262 375 I HN 0.353 nan 8.210 nan 0.000 0.456 376 S N 2.559 118.307 115.700 0.081 0.000 2.448 376 S HA 0.252 4.723 4.470 0.000 0.000 0.279 376 S C -0.101 174.523 174.600 0.041 0.000 1.195 376 S CA -0.297 57.888 58.200 -0.025 0.000 1.051 376 S CB -0.303 62.827 63.200 -0.116 0.000 0.948 376 S HN 0.752 nan 8.310 nan 0.000 0.493 377 N N 2.991 121.613 118.700 -0.130 0.000 2.285 377 N HA 0.048 4.788 4.740 0.000 0.000 0.262 377 N C 1.178 176.631 175.510 -0.095 0.000 1.299 377 N CA 0.119 53.014 53.050 -0.259 0.000 0.930 377 N CB 0.272 38.232 38.487 -0.880 0.000 1.157 377 N HN 0.627 nan 8.380 nan 0.000 0.532 378 E N -0.164 119.994 120.200 -0.070 0.000 2.160 378 E HA -0.202 4.148 4.350 0.000 0.000 0.195 378 E C 1.079 177.645 176.600 -0.057 0.000 0.991 378 E CA 1.370 57.749 56.400 -0.036 0.000 0.810 378 E CB -0.114 29.573 29.700 -0.021 0.000 0.742 378 E HN 0.697 nan 8.360 nan 0.000 0.466 379 E N -1.707 118.456 120.200 -0.063 0.000 2.478 379 E HA 0.037 4.387 4.350 0.000 0.000 0.194 379 E C 0.809 177.368 176.600 -0.067 0.000 1.045 379 E CA 0.616 57.011 56.400 -0.010 0.000 0.868 379 E CB 0.019 29.760 29.700 0.069 0.000 0.885 379 E HN 0.345 nan 8.360 nan 0.000 0.505 380 G N 0.030 108.739 108.800 -0.152 0.000 2.176 380 G HA2 -0.269 3.691 3.960 0.000 0.000 0.232 380 G HA3 -0.269 3.691 3.960 0.000 0.000 0.232 380 G C -0.349 174.269 174.900 -0.469 0.000 0.986 380 G CA 0.194 45.097 45.100 -0.328 0.000 0.643 380 G HN 0.232 nan 8.290 nan 0.000 0.522 381 Y N 0.606 120.744 120.300 -0.270 0.000 2.310 381 Y HA 0.668 5.218 4.550 0.000 0.000 0.326 381 Y C 1.205 176.862 175.900 -0.405 0.000 1.151 381 Y CA -0.632 57.266 58.100 -0.336 0.000 1.195 381 Y CB 0.825 39.085 38.460 -0.335 0.000 1.210 381 Y HN 0.076 nan 8.280 nan 0.000 0.483 382 R N 3.278 123.576 120.500 -0.335 0.000 2.267 382 R HA 0.302 4.642 4.340 0.000 0.000 0.319 382 R C -0.788 175.157 176.300 -0.592 0.000 1.067 382 R CA -0.081 55.833 56.100 -0.310 0.000 0.936 382 R CB 0.163 30.358 30.300 -0.174 0.000 1.006 382 R HN 0.645 nan 8.270 nan 0.000 0.452 383 H N 1.569 120.540 119.070 -0.166 0.000 2.941 383 H HA 0.357 4.913 4.556 0.000 0.000 0.344 383 H C -0.260 175.099 175.328 0.053 0.000 1.235 383 H CA -0.915 55.007 56.048 -0.211 0.000 1.149 383 H CB 1.477 30.968 29.762 -0.452 0.000 1.885 383 H HN 0.316 nan 8.280 nan 0.000 0.558 384 I N 1.181 121.842 120.570 0.151 0.000 2.416 384 I HA 0.068 4.238 4.170 0.000 0.000 0.288 384 I C 0.274 176.526 176.117 0.226 0.000 1.051 384 I CA 0.059 61.452 61.300 0.154 0.000 1.375 384 I CB 0.467 38.464 38.000 -0.004 0.000 1.407 384 I HN 0.144 nan 8.210 nan 0.000 0.516 385 c N 7.261 125.950 118.600 0.147 0.000 2.417 385 c HA 0.409 4.979 4.570 0.000 0.000 0.324 385 c C -0.392 173.639 174.090 -0.099 0.000 1.240 385 c CA -0.520 55.676 56.329 -0.220 0.000 1.632 385 c CB 0.857 42.983 42.510 -0.641 0.000 2.241 385 c HN 0.627 nan 8.230 nan 0.000 0.499 386 Y N 5.083 125.101 120.300 -0.470 0.000 2.350 386 Y HA 0.639 5.189 4.550 0.000 0.000 0.340 386 Y C -0.977 174.456 175.900 -0.778 0.000 1.006 386 Y CA -0.772 56.978 58.100 -0.584 0.000 1.166 386 Y CB 0.122 38.340 38.460 -0.404 0.000 1.168 386 Y HN 0.605 nan 8.280 nan 0.000 0.502 387 F N 3.356 122.645 119.950 -1.101 0.000 2.522 387 F HA 0.504 5.031 4.527 0.000 0.000 0.324 387 F C -0.408 174.691 175.800 -1.168 0.000 1.077 387 F CA -0.950 56.293 58.000 -1.261 0.000 0.944 387 F CB 1.758 39.559 39.000 -1.999 0.000 1.175 387 F HN 0.258 nan 8.300 nan 0.000 0.468 388 Q N 2.161 121.634 119.800 -0.546 0.000 2.333 388 Q HA 0.369 4.709 4.340 0.000 0.000 0.265 388 Q C 1.095 177.079 176.000 -0.025 0.000 0.989 388 Q CA -0.328 55.294 55.803 -0.301 0.000 0.842 388 Q CB 1.460 30.049 28.738 -0.249 0.000 1.262 388 Q HN 0.710 nan 8.270 nan 0.000 0.451 389 I N -0.990 119.657 120.570 0.128 0.000 2.462 389 I HA -0.292 3.878 4.170 0.000 0.000 0.259 389 I C -0.131 176.196 176.117 0.351 0.000 1.156 389 I CA 1.836 63.362 61.300 0.377 0.000 1.417 389 I CB -0.050 38.171 38.000 0.370 0.000 1.088 389 I HN 0.468 nan 8.210 nan 0.000 0.442 390 D N -0.700 119.805 120.400 0.174 0.000 2.571 390 D HA 0.278 4.918 4.640 0.000 0.000 0.239 390 D C -0.216 176.104 176.300 0.034 0.000 1.267 390 D CA -0.426 53.622 54.000 0.080 0.000 0.823 390 D CB 0.238 41.065 40.800 0.045 0.000 1.056 390 D HN 0.177 nan 8.370 nan 0.000 0.494 391 K N 0.646 121.090 120.400 0.073 0.000 2.221 391 K HA 0.354 4.674 4.320 0.000 0.000 0.258 391 K C 1.092 177.723 176.600 0.053 0.000 0.944 391 K CA -0.791 55.499 56.287 0.005 0.000 0.823 391 K CB 2.083 34.538 32.500 -0.076 0.000 1.113 391 K HN 0.009 nan 8.250 nan 0.000 0.431 392 K N 0.275 120.667 120.400 -0.014 0.000 2.007 392 K HA 0.000 4.320 4.320 0.000 0.000 0.206 392 K C 0.216 176.824 176.600 0.013 0.000 1.047 392 K CA 0.892 57.181 56.287 0.003 0.000 0.937 392 K CB 0.008 32.488 32.500 -0.033 0.000 0.718 392 K HN 0.415 nan 8.250 nan 0.000 0.438 393 D N 1.065 121.409 120.400 -0.093 0.000 2.225 393 D HA 0.154 4.794 4.640 0.000 0.000 0.249 393 D C -0.174 175.882 176.300 -0.407 0.000 1.052 393 D CA -0.508 53.371 54.000 -0.202 0.000 0.909 393 D CB 1.556 42.257 40.800 -0.166 0.000 1.186 393 D HN 0.441 nan 8.370 nan 0.000 0.431 394 c N 0.724 118.902 118.600 -0.702 0.000 2.451 394 c HA 0.835 5.405 4.570 0.000 0.000 0.391 394 c C 0.133 173.787 174.090 -0.727 0.000 1.286 394 c CA -0.557 55.134 56.329 -1.064 0.000 1.935 394 c CB 0.956 42.133 42.510 -2.221 0.000 2.188 394 c HN 0.508 nan 8.230 nan 0.000 0.523 395 T N 1.387 115.566 114.554 -0.625 0.000 2.809 395 T HA 0.474 4.824 4.350 0.000 0.000 0.284 395 T C -0.840 173.656 174.700 -0.340 0.000 0.992 395 T CA 0.144 62.034 62.100 -0.350 0.000 0.957 395 T CB 0.340 69.156 68.868 -0.086 0.000 0.942 395 T HN 0.452 nan 8.240 nan 0.000 0.439 396 F N 3.720 123.558 119.950 -0.188 0.000 2.504 396 F HA 0.234 4.761 4.527 0.000 0.000 0.369 396 F C 1.659 177.274 175.800 -0.308 0.000 1.082 396 F CA -1.026 56.846 58.000 -0.213 0.000 1.216 396 F CB 0.315 39.192 39.000 -0.204 0.000 1.108 396 F HN 0.571 nan 8.300 nan 0.000 0.554 397 I N -0.118 120.319 120.570 -0.221 0.000 3.956 397 I HA 0.237 4.407 4.170 0.000 0.000 0.333 397 I C 0.055 175.957 176.117 -0.358 0.000 1.302 397 I CA 0.099 61.018 61.300 -0.635 0.000 1.122 397 I CB -0.247 37.113 38.000 -1.066 0.000 1.013 397 I HN 0.489 nan 8.210 nan 0.000 0.405 398 T N -0.155 114.246 114.554 -0.256 0.000 2.883 398 T HA 0.696 5.046 4.350 0.000 0.000 0.301 398 T C -0.763 173.453 174.700 -0.805 0.000 1.158 398 T CA -0.722 61.173 62.100 -0.342 0.000 1.007 398 T CB 2.740 71.465 68.868 -0.239 0.000 1.186 398 T HN 0.499 nan 8.240 nan 0.000 0.499 399 K N -0.345 119.385 120.400 -1.116 0.000 2.642 399 K HA 0.727 5.047 4.320 0.000 0.000 0.290 399 K C -0.513 175.417 176.600 -1.117 0.000 1.006 399 K CA -0.693 54.694 56.287 -1.501 0.000 0.869 399 K CB 1.215 33.285 32.500 -0.717 0.000 1.499 399 K HN 1.780 nan 8.250 nan 0.000 0.403 400 G N 0.027 108.281 108.800 -0.909 0.000 2.347 400 G HA2 0.083 4.043 3.960 0.000 0.000 0.477 400 G HA3 0.083 4.043 3.960 0.000 0.000 0.477 400 G C -0.765 173.652 174.900 -0.805 0.000 1.349 400 G CA -0.391 44.336 45.100 -0.621 0.000 1.000 400 G HN 1.080 nan 8.290 nan 0.000 0.605 401 T N -0.256 113.936 114.554 -0.603 0.000 3.945 401 T HA 0.561 4.911 4.350 0.000 0.000 0.306 401 T C 0.240 174.751 174.700 -0.314 0.000 1.475 401 T CA 0.613 62.144 62.100 -0.949 0.000 1.177 401 T CB -0.942 67.622 68.868 -0.506 0.000 1.272 401 T HN 1.616 nan 8.240 nan 0.000 0.930 402 W N -0.114 120.990 121.300 -0.326 0.000 2.881 402 W HA 0.612 5.272 4.660 0.000 0.000 0.380 402 W C -1.663 174.827 176.519 -0.050 0.000 1.170 402 W CA -0.979 56.334 57.345 -0.053 0.000 1.171 402 W CB 0.618 30.044 29.460 -0.058 0.000 1.464 402 W HN 0.250 nan 8.180 nan 0.000 0.574 403 E N 0.626 121.026 120.200 0.332 0.000 2.393 403 E HA 0.462 4.812 4.350 0.000 0.000 0.273 403 E C -1.344 175.377 176.600 0.202 0.000 0.918 403 E CA -1.169 55.207 56.400 -0.040 0.000 0.773 403 E CB 3.308 33.006 29.700 -0.003 0.000 1.275 403 E HN 0.173 nan 8.360 nan 0.000 0.451 404 V N 3.354 123.246 119.914 -0.036 0.000 2.432 404 V HA 0.026 4.147 4.120 0.000 0.000 0.271 404 V C 1.140 177.306 176.094 0.121 0.000 1.046 404 V CA -0.147 62.213 62.300 0.101 0.000 0.945 404 V CB 0.618 32.392 31.823 -0.082 0.000 0.992 404 V HN 0.673 nan 8.190 nan 0.000 0.471 405 I N 3.351 124.020 120.570 0.166 0.000 2.333 405 I HA 0.208 4.378 4.170 0.000 0.000 0.246 405 I C 1.153 177.374 176.117 0.174 0.000 1.106 405 I CA 1.149 62.543 61.300 0.156 0.000 1.411 405 I CB -0.979 37.053 38.000 0.053 0.000 1.082 405 I HN 0.762 nan 8.210 nan 0.000 0.420 406 G N 0.393 109.297 108.800 0.174 0.000 2.616 406 G HA2 0.494 4.454 3.960 0.000 0.000 0.294 406 G HA3 0.494 4.454 3.960 0.000 0.000 0.294 406 G C -1.272 173.725 174.900 0.162 0.000 1.489 406 G CA -0.637 44.568 45.100 0.174 0.000 0.836 406 G HN -0.038 nan 8.290 nan 0.000 0.527 407 I N 1.708 122.334 120.570 0.093 0.000 2.325 407 I HA 0.238 4.408 4.170 0.000 0.000 0.291 407 I C 0.686 176.737 176.117 -0.110 0.000 1.019 407 I CA -0.580 60.669 61.300 -0.084 0.000 1.302 407 I CB 1.681 39.426 38.000 -0.425 0.000 1.401 407 I HN 0.493 nan 8.210 nan 0.000 0.485 408 E N 5.038 125.210 120.200 -0.046 0.000 2.307 408 E HA 0.308 4.659 4.350 0.000 0.000 0.195 408 E C 0.221 176.686 176.600 -0.225 0.000 0.975 408 E CA 0.199 56.594 56.400 -0.009 0.000 0.878 408 E CB 0.716 30.506 29.700 0.151 0.000 0.845 408 E HN 0.678 nan 8.360 nan 0.000 0.488 409 A N 0.508 123.093 122.820 -0.392 0.000 2.605 409 A HA 0.585 4.906 4.320 0.000 0.000 0.294 409 A C -1.994 175.458 177.584 -0.219 0.000 1.062 409 A CA -0.658 51.088 52.037 -0.485 0.000 0.682 409 A CB 1.180 19.371 19.000 -1.348 0.000 1.278 409 A HN 0.037 nan 8.150 nan 0.000 0.410 410 L N 1.410 122.574 121.223 -0.098 0.000 2.438 410 L HA 0.851 5.191 4.340 0.000 0.000 0.270 410 L C 0.073 176.976 176.870 0.054 0.000 0.972 410 L CA 0.492 55.333 54.840 0.001 0.000 0.831 410 L CB 2.182 44.282 42.059 0.069 0.000 1.273 410 L HN 1.222 nan 8.230 nan 0.000 0.405 411 T N -0.533 114.075 114.554 0.090 0.000 2.907 411 T HA 0.401 4.751 4.350 0.000 0.000 0.290 411 T C 0.969 175.718 174.700 0.082 0.000 1.066 411 T CA 0.025 62.188 62.100 0.105 0.000 1.012 411 T CB 1.330 70.298 68.868 0.167 0.000 1.184 411 T HN 0.624 nan 8.240 nan 0.000 0.522 412 S N -0.370 115.375 115.700 0.075 0.000 2.419 412 S HA -0.146 4.325 4.470 0.000 0.000 0.233 412 S C 1.317 175.908 174.600 -0.015 0.000 1.016 412 S CA 1.422 59.653 58.200 0.052 0.000 0.974 412 S CB -0.627 62.604 63.200 0.052 0.000 0.786 412 S HN 0.742 nan 8.310 nan 0.000 0.492 413 D N 0.007 120.394 120.400 -0.022 0.000 2.197 413 D HA 0.195 4.835 4.640 0.000 0.000 0.212 413 D C -0.229 175.826 176.300 -0.407 0.000 0.963 413 D CA 0.795 54.683 54.000 -0.186 0.000 0.864 413 D CB 0.222 41.004 40.800 -0.029 0.000 1.009 413 D HN 0.496 nan 8.370 nan 0.000 0.479 414 Y N -0.862 119.396 120.300 -0.069 0.000 2.609 414 Y HA 0.423 4.973 4.550 0.000 0.000 0.342 414 Y C -0.499 175.259 175.900 -0.236 0.000 1.058 414 Y CA -1.198 56.774 58.100 -0.214 0.000 1.055 414 Y CB 1.775 39.965 38.460 -0.451 0.000 1.292 414 Y HN -0.250 nan 8.280 nan 0.000 0.476 415 L N 2.723 123.860 121.223 -0.143 0.000 2.319 415 L HA 0.490 4.830 4.340 0.000 0.000 0.281 415 L C -1.950 174.807 176.870 -0.187 0.000 1.005 415 L CA -0.774 53.954 54.840 -0.187 0.000 0.828 415 L CB 0.219 42.090 42.059 -0.312 0.000 1.227 415 L HN 0.643 nan 8.230 nan 0.000 0.415 416 Y N 6.214 126.399 120.300 -0.192 0.000 2.326 416 Y HA 0.510 5.060 4.550 0.000 0.000 0.337 416 Y C -0.039 175.803 175.900 -0.096 0.000 1.023 416 Y CA -0.275 57.691 58.100 -0.223 0.000 1.143 416 Y CB 1.103 39.302 38.460 -0.435 0.000 1.183 416 Y HN 0.568 nan 8.280 nan 0.000 0.485 417 Y N 0.406 120.727 120.300 0.036 0.000 2.615 417 Y HA 0.829 5.380 4.550 0.000 0.000 0.341 417 Y C -1.663 174.293 175.900 0.093 0.000 1.089 417 Y CA -2.137 55.986 58.100 0.039 0.000 1.049 417 Y CB 1.132 39.598 38.460 0.010 0.000 1.296 417 Y HN 0.393 nan 8.280 nan 0.000 0.470 418 I N 2.843 123.583 120.570 0.283 0.000 2.441 418 I HA 0.666 4.836 4.170 0.000 0.000 0.295 418 I C -0.348 175.936 176.117 0.279 0.000 0.994 418 I CA -0.510 60.901 61.300 0.184 0.000 1.144 418 I CB 2.027 40.085 38.000 0.097 0.000 1.314 418 I HN 0.883 nan 8.210 nan 0.000 0.445 419 S N 3.032 118.842 115.700 0.183 0.000 2.656 419 S HA 0.407 4.877 4.470 0.000 0.000 0.273 419 S C -0.691 173.919 174.600 0.017 0.000 1.168 419 S CA -0.867 57.416 58.200 0.138 0.000 0.817 419 S CB 1.684 64.976 63.200 0.154 0.000 1.146 419 S HN 0.649 nan 8.310 nan 0.000 0.475 420 N N -0.289 118.427 118.700 0.027 0.000 2.328 420 N HA 0.156 4.897 4.740 0.000 0.000 0.247 420 N C 0.582 176.040 175.510 -0.087 0.000 1.165 420 N CA -0.152 52.884 53.050 -0.025 0.000 0.873 420 N CB 0.316 38.791 38.487 -0.020 0.000 1.125 420 N HN 0.819 nan 8.380 nan 0.000 0.513 421 E N -0.015 119.963 120.200 -0.371 0.000 2.072 421 E HA -0.214 4.136 4.350 0.000 0.000 0.191 421 E C -0.288 176.150 176.600 -0.270 0.000 0.985 421 E CA 0.290 56.235 56.400 -0.758 0.000 0.801 421 E CB -0.121 28.454 29.700 -1.876 0.000 0.750 421 E HN 0.378 nan 8.360 nan 0.000 0.452 422 Y N 2.173 122.368 120.300 -0.176 0.000 2.865 422 Y HA -0.158 4.392 4.550 0.000 0.000 0.338 422 Y C 0.398 176.258 175.900 -0.067 0.000 1.269 422 Y CA 1.014 59.071 58.100 -0.071 0.000 1.585 422 Y CB -0.018 38.430 38.460 -0.019 0.000 1.224 422 Y HN 0.135 nan 8.280 nan 0.000 0.554 423 K N 3.194 123.306 120.400 -0.481 0.000 3.274 423 K HA -0.259 4.061 4.320 0.000 0.000 0.305 423 K C 0.875 177.395 176.600 -0.134 0.000 1.225 423 K CA 0.849 56.914 56.287 -0.370 0.000 0.904 423 K CB -1.760 30.471 32.500 -0.449 0.000 1.227 423 K HN 1.268 nan 8.250 nan 0.000 0.453 424 G N 0.690 109.428 108.800 -0.103 0.000 2.225 424 G HA2 -0.332 3.628 3.960 0.000 0.000 0.267 424 G HA3 -0.332 3.628 3.960 0.000 0.000 0.267 424 G C 0.005 174.873 174.900 -0.053 0.000 1.024 424 G CA 0.803 45.886 45.100 -0.028 0.000 0.784 424 G HN 0.329 nan 8.290 nan 0.000 0.507 425 M N 0.939 120.440 119.600 -0.164 0.000 2.111 425 M HA 0.223 4.703 4.480 0.000 0.000 0.351 425 M C -0.823 175.231 176.300 -0.409 0.000 1.214 425 M CA -2.011 53.033 55.300 -0.426 0.000 1.120 425 M CB 1.495 33.923 32.600 -0.285 0.000 1.443 425 M HN -0.056 nan 8.290 nan 0.000 0.429 426 P HA -0.106 nan 4.420 nan 0.000 0.221 426 P C 1.032 178.188 177.300 -0.240 0.000 1.145 426 P CA 1.261 64.180 63.100 -0.302 0.000 0.795 426 P CB 0.119 31.643 31.700 -0.294 0.000 0.775 427 G N -0.635 107.957 108.800 -0.347 0.000 3.141 427 G HA2 0.272 4.233 3.960 0.000 0.000 0.218 427 G HA3 0.272 4.233 3.960 0.000 0.000 0.218 427 G C 0.695 175.616 174.900 0.035 0.000 1.170 427 G CA 0.125 45.158 45.100 -0.112 0.000 0.769 427 G HN 0.434 nan 8.290 nan 0.000 0.546 428 G N -0.171 108.589 108.800 -0.066 0.000 2.441 428 G HA2 0.641 4.601 3.960 0.000 0.000 0.334 428 G HA3 0.641 4.601 3.960 0.000 0.000 0.334 428 G C -0.839 173.954 174.900 -0.179 0.000 1.161 428 G CA -0.779 44.313 45.100 -0.012 0.000 0.935 428 G HN 0.078 nan 8.290 nan 0.000 0.488 429 R N 1.288 121.622 120.500 -0.276 0.000 2.538 429 R HA 0.404 4.744 4.340 0.000 0.000 0.292 429 R C -1.311 174.956 176.300 -0.055 0.000 1.008 429 R CA -0.806 55.107 56.100 -0.311 0.000 0.896 429 R CB 2.028 31.875 30.300 -0.755 0.000 1.187 429 R HN 0.563 nan 8.270 nan 0.000 0.440 430 N N 1.815 120.524 118.700 0.015 0.000 2.229 430 N HA 0.314 5.054 4.740 0.000 0.000 0.298 430 N C -1.110 174.347 175.510 -0.088 0.000 1.114 430 N CA -0.845 52.165 53.050 -0.066 0.000 0.776 430 N CB 2.740 41.091 38.487 -0.226 0.000 1.501 430 N HN 0.270 nan 8.380 nan 0.000 0.474 431 L N 2.455 123.481 121.223 -0.329 0.000 2.331 431 L HA 0.407 4.748 4.340 0.000 0.000 0.278 431 L C -1.276 175.308 176.870 -0.476 0.000 1.106 431 L CA 0.240 54.901 54.840 -0.299 0.000 0.824 431 L CB -0.242 41.604 42.059 -0.355 0.000 1.142 431 L HN 0.402 nan 8.230 nan 0.000 0.443 432 Y N 3.486 123.414 120.300 -0.620 0.000 2.633 432 Y HA 0.668 5.218 4.550 0.000 0.000 0.339 432 Y C -0.477 174.982 175.900 -0.736 0.000 1.045 432 Y CA -0.966 56.697 58.100 -0.728 0.000 1.098 432 Y CB 1.580 39.427 38.460 -1.023 0.000 1.296 432 Y HN 0.563 nan 8.280 nan 0.000 0.494 433 K N 1.313 121.467 120.400 -0.409 0.000 2.513 433 K HA 0.690 5.010 4.320 0.000 0.000 0.251 433 K C -2.064 174.448 176.600 -0.148 0.000 0.939 433 K CA -0.663 55.324 56.287 -0.500 0.000 0.793 433 K CB 2.539 34.486 32.500 -0.922 0.000 1.241 433 K HN 0.739 nan 8.250 nan 0.000 0.431 434 I N 2.221 122.808 120.570 0.028 0.000 2.433 434 I HA 0.177 4.347 4.170 0.000 0.000 0.292 434 I C -0.645 175.590 176.117 0.197 0.000 1.001 434 I CA -0.775 60.630 61.300 0.176 0.000 1.119 434 I CB 1.966 40.100 38.000 0.224 0.000 1.289 434 I HN 0.870 nan 8.210 nan 0.000 0.438 435 Q N 5.800 125.701 119.800 0.169 0.000 2.286 435 Q HA 0.080 4.420 4.340 0.000 0.000 0.265 435 Q C 0.207 176.139 176.000 -0.113 0.000 1.080 435 Q CA -0.468 55.258 55.803 -0.128 0.000 0.906 435 Q CB 0.948 29.621 28.738 -0.108 0.000 1.227 435 Q HN 0.748 nan 8.270 nan 0.000 0.409 436 L N 3.160 124.257 121.223 -0.210 0.000 2.349 436 L HA -0.139 4.201 4.340 0.000 0.000 0.220 436 L C 1.717 178.465 176.870 -0.203 0.000 1.130 436 L CA 1.396 56.168 54.840 -0.112 0.000 0.791 436 L CB -0.583 41.391 42.059 -0.142 0.000 0.918 436 L HN 0.593 nan 8.230 nan 0.000 0.444 437 S N -1.771 113.778 115.700 -0.251 0.000 2.486 437 S HA 0.024 4.494 4.470 0.000 0.000 0.220 437 S C 0.415 174.830 174.600 -0.308 0.000 1.011 437 S CA 0.218 58.266 58.200 -0.253 0.000 0.921 437 S CB 0.236 63.319 63.200 -0.195 0.000 0.785 437 S HN 0.427 nan 8.310 nan 0.000 0.517 438 D N -0.283 119.945 120.400 -0.287 0.000 2.351 438 D HA 0.215 4.855 4.640 0.000 0.000 0.235 438 D C -0.185 176.065 176.300 -0.084 0.000 1.331 438 D CA -0.507 53.350 54.000 -0.238 0.000 0.959 438 D CB -0.122 40.603 40.800 -0.126 0.000 1.432 438 D HN -0.114 nan 8.370 nan 0.000 0.544 439 Y N 1.283 121.565 120.300 -0.030 0.000 2.538 439 Y HA -0.093 4.457 4.550 0.000 0.000 0.287 439 Y C 2.437 178.345 175.900 0.014 0.000 1.157 439 Y CA 1.017 59.112 58.100 -0.008 0.000 1.338 439 Y CB -0.911 37.544 38.460 -0.009 0.000 0.970 439 Y HN 0.375 nan 8.280 nan 0.000 0.564 440 T N -0.288 114.343 114.554 0.129 0.000 3.085 440 T HA -0.029 4.322 4.350 0.000 0.000 0.263 440 T C 0.706 175.456 174.700 0.083 0.000 1.127 440 T CA 0.469 62.622 62.100 0.089 0.000 1.103 440 T CB -0.199 68.696 68.868 0.044 0.000 0.921 440 T HN 0.179 nan 8.240 nan 0.000 0.510 441 K N 2.005 122.456 120.400 0.085 0.000 2.290 441 K HA 0.408 4.728 4.320 0.000 0.000 0.250 441 K C -1.027 175.645 176.600 0.120 0.000 1.092 441 K CA -0.262 56.075 56.287 0.085 0.000 1.006 441 K CB 1.501 34.040 32.500 0.065 0.000 1.549 441 K HN 0.059 nan 8.250 nan 0.000 0.436 442 V N 1.931 121.917 119.914 0.120 0.000 2.459 442 V HA 0.445 4.565 4.120 0.000 0.000 0.295 442 V C -0.813 175.328 176.094 0.079 0.000 1.029 442 V CA -0.020 62.363 62.300 0.138 0.000 0.874 442 V CB 1.826 33.776 31.823 0.212 0.000 0.985 442 V HN 0.538 nan 8.190 nan 0.000 0.438 443 T N 6.155 120.706 114.554 -0.004 0.000 2.807 443 T HA 0.306 4.656 4.350 0.000 0.000 0.279 443 T C -0.569 173.972 174.700 -0.266 0.000 0.993 443 T CA -0.250 61.785 62.100 -0.109 0.000 0.970 443 T CB 1.065 69.844 68.868 -0.148 0.000 0.950 443 T HN 0.932 nan 8.240 nan 0.000 0.441 444 C N 5.272 124.325 119.300 -0.413 0.000 2.394 444 C HA 0.411 4.871 4.460 0.000 0.000 0.362 444 C C 1.697 176.324 174.990 -0.605 0.000 1.268 444 C CA -0.553 57.943 59.018 -0.870 0.000 1.828 444 C CB -1.840 25.261 27.740 -1.064 0.000 2.442 444 C HN 0.984 nan 8.230 nan 0.000 0.549 445 L N 4.600 125.464 121.223 -0.599 0.000 2.446 445 L HA 0.067 4.407 4.340 0.000 0.000 0.219 445 L C 2.152 178.727 176.870 -0.492 0.000 1.116 445 L CA 1.014 55.593 54.840 -0.435 0.000 0.844 445 L CB -0.209 41.630 42.059 -0.366 0.000 0.970 445 L HN 0.897 nan 8.230 nan 0.000 0.457 446 S N -3.352 111.944 115.700 -0.673 0.000 2.593 446 S HA -0.019 4.451 4.470 0.000 0.000 0.235 446 S C 1.836 176.083 174.600 -0.588 0.000 1.059 446 S CA -0.087 57.634 58.200 -0.798 0.000 0.953 446 S CB -0.336 61.940 63.200 -1.540 0.000 0.897 446 S HN 0.289 nan 8.310 nan 0.000 0.507 447 C N 2.131 121.023 119.300 -0.679 0.000 2.385 447 C HA -0.059 4.401 4.460 0.000 0.000 0.275 447 C C 2.492 177.208 174.990 -0.456 0.000 1.199 447 C CA 1.611 60.138 59.018 -0.819 0.000 1.782 447 C CB -1.098 25.817 27.740 -1.375 0.000 2.068 447 C HN 0.610 nan 8.230 nan 0.000 0.471 448 E N -0.278 119.735 120.200 -0.312 0.000 2.481 448 E HA 0.191 4.541 4.350 0.000 0.000 0.198 448 E C 1.921 178.481 176.600 -0.067 0.000 1.027 448 E CA -0.097 56.222 56.400 -0.135 0.000 0.900 448 E CB -0.225 29.407 29.700 -0.113 0.000 0.993 448 E HN 0.542 nan 8.360 nan 0.000 0.482 449 L N 0.368 121.548 121.223 -0.071 0.000 2.013 449 L HA -0.155 4.185 4.340 0.000 0.000 0.212 449 L C 0.843 177.733 176.870 0.033 0.000 1.073 449 L CA 1.111 55.950 54.840 -0.001 0.000 0.753 449 L CB -0.048 42.037 42.059 0.044 0.000 0.890 449 L HN 0.148 nan 8.230 nan 0.000 0.432 450 N N -1.821 116.913 118.700 0.056 0.000 3.111 450 N HA 0.065 4.805 4.740 0.000 0.000 0.200 450 N C -2.095 173.446 175.510 0.052 0.000 1.464 450 N CA -0.778 52.297 53.050 0.042 0.000 0.758 450 N CB 0.769 39.275 38.487 0.032 0.000 1.548 450 N HN -0.197 nan 8.380 nan 0.000 0.595 451 P HA -0.177 nan 4.420 nan 0.000 0.215 451 P C 0.937 178.279 177.300 0.071 0.000 1.157 451 P CA 1.276 64.433 63.100 0.096 0.000 0.874 451 P CB 0.612 32.384 31.700 0.119 0.000 0.790 452 E N -0.172 120.052 120.200 0.041 0.000 2.038 452 E HA -0.194 4.156 4.350 0.000 0.000 0.195 452 E C 2.325 178.925 176.600 -0.000 0.000 1.000 452 E CA 1.141 57.553 56.400 0.021 0.000 0.803 452 E CB -0.474 29.231 29.700 0.008 0.000 0.750 452 E HN 0.318 nan 8.360 nan 0.000 0.448 453 R N -0.299 120.191 120.500 -0.018 0.000 2.161 453 R HA 0.030 4.370 4.340 0.000 0.000 0.213 453 R C 0.087 176.338 176.300 -0.082 0.000 1.055 453 R CA 0.551 56.617 56.100 -0.056 0.000 0.996 453 R CB 0.365 30.624 30.300 -0.068 0.000 0.901 453 R HN 0.045 nan 8.270 nan 0.000 0.456 454 c N 0.968 119.529 118.600 -0.065 0.000 2.344 454 c HA 0.408 4.978 4.570 0.000 0.000 0.326 454 c C -0.066 173.993 174.090 -0.052 0.000 1.201 454 c CA -0.717 55.515 56.329 -0.162 0.000 1.410 454 c CB 1.417 43.750 42.510 -0.295 0.000 2.070 454 c HN 0.508 nan 8.230 nan 0.000 0.445 455 Q N 0.575 120.350 119.800 -0.042 0.000 2.093 455 Q HA 0.207 4.547 4.340 0.000 0.000 0.217 455 Q C -1.081 174.984 176.000 0.108 0.000 0.785 455 Q CA 0.047 55.904 55.803 0.090 0.000 1.038 455 Q CB 1.354 30.162 28.738 0.116 0.000 1.190 455 Q HN 0.802 nan 8.270 nan 0.000 0.468 456 Y N 0.313 120.509 120.300 -0.172 0.000 2.301 456 Y HA 0.365 4.915 4.550 0.000 0.000 0.325 456 Y C -1.688 174.071 175.900 -0.234 0.000 1.103 456 Y CA -0.972 57.056 58.100 -0.119 0.000 1.182 456 Y CB 0.960 39.358 38.460 -0.104 0.000 1.139 456 Y HN -0.062 nan 8.280 nan 0.000 0.443 457 Y N 2.062 122.298 120.300 -0.106 0.000 2.562 457 Y HA 0.715 5.265 4.550 0.000 0.000 0.343 457 Y C 0.033 175.889 175.900 -0.073 0.000 1.025 457 Y CA -0.766 57.292 58.100 -0.070 0.000 1.082 457 Y CB 2.417 40.810 38.460 -0.112 0.000 1.264 457 Y HN 0.483 nan 8.280 nan 0.000 0.478 458 S N 0.531 116.332 115.700 0.168 0.000 2.595 458 S HA 0.875 5.345 4.470 0.000 0.000 0.281 458 S C -1.752 172.925 174.600 0.130 0.000 1.117 458 S CA -0.722 57.555 58.200 0.128 0.000 0.873 458 S CB 1.841 65.124 63.200 0.138 0.000 1.108 458 S HN 0.665 nan 8.310 nan 0.000 0.477 459 V N 0.453 120.449 119.914 0.136 0.000 3.078 459 V HA 0.887 5.007 4.120 0.000 0.000 0.311 459 V C -1.171 175.040 176.094 0.194 0.000 1.138 459 V CA -0.294 62.075 62.300 0.116 0.000 1.007 459 V CB 2.366 34.208 31.823 0.032 0.000 1.045 459 V HN 1.206 nan 8.190 nan 0.000 0.432 460 S N 4.145 119.957 115.700 0.187 0.000 2.746 460 S HA 0.617 5.087 4.470 0.000 0.000 0.273 460 S C -1.126 173.675 174.600 0.336 0.000 1.172 460 S CA -0.409 57.994 58.200 0.338 0.000 1.116 460 S CB 0.174 63.609 63.200 0.391 0.000 1.057 460 S HN 0.481 nan 8.310 nan 0.000 0.483 461 F N 2.965 122.977 119.950 0.104 0.000 2.380 461 F HA 0.436 4.963 4.527 0.000 0.000 0.325 461 F C 1.518 176.931 175.800 -0.644 0.000 1.136 461 F CA -0.202 57.696 58.000 -0.170 0.000 1.171 461 F CB 1.058 39.926 39.000 -0.220 0.000 1.230 461 F HN 0.606 nan 8.300 nan 0.000 0.554 462 S N 1.604 116.739 115.700 -0.942 0.000 2.634 462 S HA 0.185 4.655 4.470 0.000 0.000 0.261 462 S C 1.187 175.544 174.600 -0.406 0.000 1.271 462 S CA -0.876 56.532 58.200 -1.319 0.000 0.985 462 S CB 0.780 63.244 63.200 -1.226 0.000 0.968 462 S HN 0.503 nan 8.310 nan 0.000 0.568 463 K N 1.068 121.353 120.400 -0.191 0.000 2.052 463 K HA -0.151 4.169 4.320 0.000 0.000 0.215 463 K C 1.192 177.767 176.600 -0.042 0.000 1.053 463 K CA 1.772 58.041 56.287 -0.030 0.000 0.934 463 K CB -0.601 31.922 32.500 0.038 0.000 0.717 463 K HN 0.700 nan 8.250 nan 0.000 0.450 464 E N -0.874 119.275 120.200 -0.086 0.000 2.451 464 E HA 0.255 4.605 4.350 0.000 0.000 0.194 464 E C 0.175 176.719 176.600 -0.093 0.000 1.027 464 E CA 0.286 56.649 56.400 -0.062 0.000 0.914 464 E CB 0.400 30.071 29.700 -0.047 0.000 1.054 464 E HN 0.279 nan 8.360 nan 0.000 0.461 465 A N 1.140 123.889 122.820 -0.119 0.000 2.925 465 A HA -0.307 4.013 4.320 0.000 0.000 0.265 465 A C 1.457 178.987 177.584 -0.090 0.000 1.419 465 A CA 1.492 53.490 52.037 -0.064 0.000 0.807 465 A CB -2.190 16.672 19.000 -0.230 0.000 1.043 465 A HN 0.258 nan 8.150 nan 0.000 0.600 466 K N -1.674 118.592 120.400 -0.224 0.000 2.116 466 K HA 0.091 4.412 4.320 0.000 0.000 0.203 466 K C 0.064 176.330 176.600 -0.556 0.000 1.052 466 K CA 1.431 57.475 56.287 -0.405 0.000 0.952 466 K CB 0.035 32.198 32.500 -0.562 0.000 0.729 466 K HN 0.667 nan 8.250 nan 0.000 0.446 467 Y N -0.736 119.433 120.300 -0.219 0.000 2.536 467 Y HA 0.312 4.862 4.550 0.000 0.000 0.347 467 Y C -0.841 174.896 175.900 -0.271 0.000 1.000 467 Y CA -1.347 56.625 58.100 -0.214 0.000 1.051 467 Y CB 1.640 40.013 38.460 -0.145 0.000 1.259 467 Y HN -0.021 nan 8.280 nan 0.000 0.468 468 Y N -0.892 119.324 120.300 -0.141 0.000 2.534 468 Y HA 0.552 5.102 4.550 0.000 0.000 0.345 468 Y C -1.194 174.678 175.900 -0.047 0.000 1.031 468 Y CA -1.468 56.380 58.100 -0.420 0.000 1.022 468 Y CB 1.614 39.222 38.460 -1.419 0.000 1.292 468 Y HN 0.588 nan 8.280 nan 0.000 0.459 469 Q N 4.137 124.041 119.800 0.174 0.000 2.325 469 Q HA 0.503 4.843 4.340 0.000 0.000 0.262 469 Q C -1.729 174.346 176.000 0.125 0.000 0.968 469 Q CA -0.626 55.260 55.803 0.139 0.000 0.877 469 Q CB 1.281 30.083 28.738 0.106 0.000 1.253 469 Q HN 0.981 nan 8.270 nan 0.000 0.448 470 L N 4.135 125.437 121.223 0.131 0.000 2.350 470 L HA 0.482 4.822 4.340 0.000 0.000 0.275 470 L C -0.012 176.925 176.870 0.111 0.000 1.099 470 L CA -0.416 54.497 54.840 0.121 0.000 0.808 470 L CB 1.029 43.129 42.059 0.068 0.000 1.149 470 L HN 0.614 nan 8.230 nan 0.000 0.442 471 R N 2.298 122.852 120.500 0.090 0.000 2.487 471 R HA 0.248 4.588 4.340 0.000 0.000 0.288 471 R C -1.003 175.167 176.300 -0.217 0.000 1.394 471 R CA -0.525 55.457 56.100 -0.197 0.000 1.155 471 R CB 1.314 31.529 30.300 -0.143 0.000 1.156 471 R HN 0.587 nan 8.270 nan 0.000 0.553 472 c N 2.464 120.846 118.600 -0.364 0.000 2.585 472 c HA 0.267 4.837 4.570 0.000 0.000 0.406 472 c C 1.603 175.481 174.090 -0.354 0.000 1.312 472 c CA -0.046 55.946 56.329 -0.563 0.000 1.924 472 c CB -0.022 42.121 42.510 -0.611 0.000 2.578 472 c HN 0.946 nan 8.230 nan 0.000 0.580 473 S N 3.723 119.293 115.700 -0.216 0.000 2.730 473 S HA 0.594 5.064 4.470 0.000 0.000 0.244 473 S C 0.293 174.852 174.600 -0.069 0.000 1.022 473 S CA 0.245 58.381 58.200 -0.107 0.000 1.014 473 S CB 0.013 63.184 63.200 -0.048 0.000 0.963 473 S HN 1.934 nan 8.310 nan 0.000 0.540 474 G N 1.800 110.544 108.800 -0.093 0.000 2.328 474 G HA2 0.390 4.350 3.960 0.000 0.000 0.299 474 G HA3 0.390 4.350 3.960 0.000 0.000 0.299 474 G C -3.039 171.836 174.900 -0.042 0.000 1.435 474 G CA -0.500 44.580 45.100 -0.034 0.000 0.865 474 G HN -0.129 nan 8.290 nan 0.000 0.601 475 P HA 0.125 nan 4.420 nan 0.000 0.233 475 P C 1.280 178.576 177.300 -0.007 0.000 1.167 475 P CA 1.255 64.376 63.100 0.035 0.000 0.770 475 P CB 0.414 32.138 31.700 0.039 0.000 0.837 476 G N 0.457 109.186 108.800 -0.118 0.000 2.508 476 G HA2 0.388 4.349 3.960 0.000 0.000 0.278 476 G HA3 0.388 4.349 3.960 0.000 0.000 0.278 476 G C -0.295 174.343 174.900 -0.436 0.000 1.389 476 G CA -0.729 44.212 45.100 -0.266 0.000 1.050 476 G HN 0.052 nan 8.290 nan 0.000 0.522 477 L N 1.147 122.070 121.223 -0.500 0.000 2.456 477 L HA 0.174 4.514 4.340 0.000 0.000 0.272 477 L C -1.845 174.904 176.870 -0.201 0.000 1.189 477 L CA -1.289 53.278 54.840 -0.455 0.000 0.846 477 L CB 0.795 42.654 42.059 -0.334 0.000 1.111 477 L HN 0.239 nan 8.230 nan 0.000 0.475 478 P HA -0.007 nan 4.420 nan 0.000 0.264 478 P C -1.003 176.275 177.300 -0.038 0.000 1.183 478 P CA 0.070 63.130 63.100 -0.065 0.000 0.763 478 P CB 0.506 32.254 31.700 0.080 0.000 0.807 479 L N 5.472 126.594 121.223 -0.168 0.000 2.406 479 L HA 0.473 4.813 4.340 0.000 0.000 0.272 479 L C -1.793 174.985 176.870 -0.153 0.000 0.980 479 L CA -0.765 54.038 54.840 -0.061 0.000 0.831 479 L CB 0.860 42.879 42.059 -0.068 0.000 1.253 479 L HN 0.207 nan 8.230 nan 0.000 0.406 480 Y N 2.859 123.138 120.300 -0.034 0.000 2.331 480 Y HA 0.738 5.288 4.550 0.000 0.000 0.338 480 Y C 0.567 176.390 175.900 -0.128 0.000 0.976 480 Y CA -0.551 57.511 58.100 -0.064 0.000 1.137 480 Y CB 1.908 40.306 38.460 -0.104 0.000 1.172 480 Y HN 0.683 nan 8.280 nan 0.000 0.478 481 T N 1.576 116.163 114.554 0.054 0.000 2.906 481 T HA 0.677 5.027 4.350 0.000 0.000 0.295 481 T C -1.200 173.469 174.700 -0.050 0.000 1.061 481 T CA -0.944 61.139 62.100 -0.028 0.000 1.000 481 T CB 1.777 70.689 68.868 0.073 0.000 1.103 481 T HN 0.529 nan 8.240 nan 0.000 0.486 482 L N 1.941 122.993 121.223 -0.286 0.000 2.329 482 L HA 0.637 4.978 4.340 0.000 0.000 0.279 482 L C -1.040 175.511 176.870 -0.532 0.000 1.014 482 L CA -0.658 54.042 54.840 -0.232 0.000 0.814 482 L CB 1.513 43.448 42.059 -0.207 0.000 1.257 482 L HN 0.915 nan 8.230 nan 0.000 0.424 483 H N 0.384 119.211 119.070 -0.406 0.000 2.949 483 H HA 0.511 5.067 4.556 0.000 0.000 0.356 483 H C -0.641 174.459 175.328 -0.380 0.000 1.212 483 H CA -0.752 54.975 56.048 -0.535 0.000 1.136 483 H CB 1.951 31.075 29.762 -1.064 0.000 1.869 483 H HN 0.441 nan 8.280 nan 0.000 0.556 484 S N -0.430 115.205 115.700 -0.109 0.000 2.519 484 S HA 0.313 4.783 4.470 0.000 0.000 0.309 484 S C 0.218 174.797 174.600 -0.035 0.000 1.100 484 S CA -0.699 57.460 58.200 -0.069 0.000 1.059 484 S CB 1.710 64.900 63.200 -0.016 0.000 1.008 484 S HN 0.538 nan 8.310 nan 0.000 0.478 485 S N 2.246 117.950 115.700 0.007 0.000 2.399 485 S HA -0.135 4.335 4.470 0.000 0.000 0.231 485 S C 2.042 176.692 174.600 0.083 0.000 1.022 485 S CA 1.094 59.389 58.200 0.159 0.000 0.983 485 S CB -0.598 62.685 63.200 0.139 0.000 0.803 485 S HN 0.821 nan 8.310 nan 0.000 0.480 486 V N 2.426 122.342 119.914 0.004 0.000 2.250 486 V HA -0.298 3.822 4.120 0.000 0.000 0.253 486 V C 0.932 177.049 176.094 0.038 0.000 1.065 486 V CA 2.489 64.802 62.300 0.023 0.000 1.039 486 V CB -0.502 31.316 31.823 -0.009 0.000 0.647 486 V HN 0.557 nan 8.190 nan 0.000 0.446 487 N N -1.076 117.640 118.700 0.027 0.000 2.194 487 N HA 0.208 4.949 4.740 0.000 0.000 0.231 487 N C -0.668 174.858 175.510 0.028 0.000 1.247 487 N CA 0.370 53.435 53.050 0.025 0.000 0.884 487 N CB 0.560 39.059 38.487 0.020 0.000 1.146 487 N HN 0.485 nan 8.380 nan 0.000 0.516 488 D N 1.182 121.616 120.400 0.057 0.000 2.705 488 D HA -0.167 4.473 4.640 0.000 0.000 0.240 488 D C -0.668 175.670 176.300 0.064 0.000 1.137 488 D CA 1.052 55.110 54.000 0.096 0.000 0.677 488 D CB -0.758 40.085 40.800 0.072 0.000 1.049 488 D HN 0.415 nan 8.370 nan 0.000 0.427 489 K N 0.076 120.495 120.400 0.030 0.000 2.172 489 K HA 0.454 4.774 4.320 0.000 0.000 0.276 489 K C 1.064 177.633 176.600 -0.052 0.000 1.013 489 K CA -0.421 55.867 56.287 0.001 0.000 0.913 489 K CB 1.347 33.842 32.500 -0.008 0.000 1.055 489 K HN 0.133 nan 8.250 nan 0.000 0.461 490 G N 3.671 112.419 108.800 -0.088 0.000 2.741 490 G HA2 0.098 4.058 3.960 0.000 0.000 0.301 490 G HA3 0.098 4.058 3.960 0.000 0.000 0.301 490 G C 0.929 175.663 174.900 -0.275 0.000 0.834 490 G CA -0.291 44.625 45.100 -0.307 0.000 1.683 490 G HN 0.587 nan 8.290 nan 0.000 0.506 491 L N 1.163 122.206 121.223 -0.300 0.000 1.944 491 L HA -0.000 4.340 4.340 0.000 0.000 0.218 491 L C 1.845 178.614 176.870 -0.169 0.000 1.075 491 L CA 1.584 56.318 54.840 -0.176 0.000 0.767 491 L CB -0.282 41.692 42.059 -0.141 0.000 0.890 491 L HN 0.708 nan 8.230 nan 0.000 0.434 492 R N -2.198 118.166 120.500 -0.227 0.000 2.712 492 R HA 0.468 4.808 4.340 0.000 0.000 0.272 492 R C -1.577 174.597 176.300 -0.211 0.000 1.032 492 R CA -0.930 55.064 56.100 -0.176 0.000 0.874 492 R CB 1.466 31.693 30.300 -0.120 0.000 1.256 492 R HN -0.228 nan 8.270 nan 0.000 0.468 493 V N 3.156 122.976 119.914 -0.157 0.000 2.461 493 V HA 0.150 4.270 4.120 0.000 0.000 0.275 493 V C 1.347 177.323 176.094 -0.197 0.000 1.047 493 V CA -0.326 61.887 62.300 -0.145 0.000 0.955 493 V CB 1.053 32.826 31.823 -0.083 0.000 0.988 493 V HN 0.652 nan 8.190 nan 0.000 0.471 494 L N 2.560 123.610 121.223 -0.289 0.000 2.130 494 L HA 0.264 4.604 4.340 0.000 0.000 0.200 494 L C 0.788 177.496 176.870 -0.270 0.000 1.075 494 L CA 0.795 55.309 54.840 -0.543 0.000 0.768 494 L CB 0.151 41.519 42.059 -1.151 0.000 0.933 494 L HN 0.675 nan 8.230 nan 0.000 0.451 495 E N -0.023 120.124 120.200 -0.089 0.000 2.311 495 E HA 0.113 4.463 4.350 0.000 0.000 0.281 495 E C -1.228 175.445 176.600 0.122 0.000 0.905 495 E CA -0.442 55.988 56.400 0.049 0.000 0.778 495 E CB 1.305 31.032 29.700 0.044 0.000 1.240 495 E HN 0.211 nan 8.360 nan 0.000 0.410 496 D N 2.761 123.203 120.400 0.070 0.000 2.469 496 D HA 0.157 4.798 4.640 0.000 0.000 0.215 496 D C -0.363 175.963 176.300 0.044 0.000 1.154 496 D CA -0.310 53.722 54.000 0.053 0.000 0.832 496 D CB -0.011 40.796 40.800 0.013 0.000 1.008 496 D HN 0.404 nan 8.370 nan 0.000 0.506 497 N N 0.473 119.213 118.700 0.067 0.000 2.727 497 N HA -0.212 4.528 4.740 0.000 0.000 0.249 497 N C 0.945 176.468 175.510 0.022 0.000 1.048 497 N CA 0.939 54.021 53.050 0.054 0.000 0.714 497 N CB -1.257 37.261 38.487 0.053 0.000 0.959 497 N HN 0.524 nan 8.380 nan 0.000 0.544 498 S N -1.335 114.378 115.700 0.022 0.000 2.406 498 S HA 0.041 4.511 4.470 0.000 0.000 0.228 498 S C 2.075 176.689 174.600 0.023 0.000 1.020 498 S CA 0.787 58.995 58.200 0.012 0.000 0.965 498 S CB -0.055 63.152 63.200 0.011 0.000 0.798 498 S HN 0.498 nan 8.310 nan 0.000 0.488 499 A N 2.397 125.241 122.820 0.039 0.000 1.858 499 A HA 0.033 4.353 4.320 0.000 0.000 0.216 499 A C 2.254 179.879 177.584 0.067 0.000 1.190 499 A CA 1.696 53.764 52.037 0.052 0.000 0.617 499 A CB -1.106 17.929 19.000 0.059 0.000 0.827 499 A HN 0.531 nan 8.150 nan 0.000 0.443 500 L N 0.525 121.795 121.223 0.077 0.000 2.042 500 L HA -0.202 4.138 4.340 0.000 0.000 0.210 500 L C 1.942 178.842 176.870 0.050 0.000 1.076 500 L CA 2.922 57.823 54.840 0.101 0.000 0.749 500 L CB -0.864 41.262 42.059 0.111 0.000 0.893 500 L HN 0.547 nan 8.230 nan 0.000 0.432 501 D N -1.047 119.357 120.400 0.007 0.000 2.149 501 D HA -0.221 4.419 4.640 0.000 0.000 0.198 501 D C 1.939 178.232 176.300 -0.012 0.000 0.990 501 D CA 1.188 55.169 54.000 -0.031 0.000 0.839 501 D CB 0.109 40.881 40.800 -0.046 0.000 0.948 501 D HN 0.188 nan 8.370 nan 0.000 0.460 502 K N -0.270 120.139 120.400 0.015 0.000 2.097 502 K HA -0.041 4.280 4.320 0.000 0.000 0.205 502 K C 2.183 178.807 176.600 0.040 0.000 1.050 502 K CA 0.731 57.033 56.287 0.025 0.000 0.938 502 K CB -0.342 32.179 32.500 0.035 0.000 0.718 502 K HN 0.403 nan 8.250 nan 0.000 0.442 503 M N 0.389 120.030 119.600 0.068 0.000 2.123 503 M HA -0.067 4.413 4.480 0.000 0.000 0.263 503 M C 2.152 178.445 176.300 -0.012 0.000 1.069 503 M CA 1.335 56.703 55.300 0.112 0.000 1.133 503 M CB -0.341 32.422 32.600 0.272 0.000 1.356 503 M HN -0.017 nan 8.290 nan 0.000 0.415 504 L N 0.535 121.699 121.223 -0.097 0.000 2.265 504 L HA -0.208 4.132 4.340 0.000 0.000 0.215 504 L C 2.656 179.468 176.870 -0.096 0.000 1.117 504 L CA 1.023 55.750 54.840 -0.189 0.000 0.782 504 L CB -0.805 41.165 42.059 -0.148 0.000 0.914 504 L HN 0.492 nan 8.230 nan 0.000 0.441 505 Q N -0.755 119.018 119.800 -0.044 0.000 2.436 505 Q HA -0.117 4.223 4.340 0.000 0.000 0.209 505 Q C 0.897 176.898 176.000 0.000 0.000 0.965 505 Q CA 0.952 56.743 55.803 -0.020 0.000 0.910 505 Q CB -0.204 28.530 28.738 -0.007 0.000 0.980 505 Q HN 0.478 nan 8.270 nan 0.000 0.491 506 N N 0.801 119.505 118.700 0.006 0.000 2.270 506 N HA 0.104 4.844 4.740 0.000 0.000 0.198 506 N C -0.590 174.945 175.510 0.042 0.000 1.117 506 N CA 0.153 53.224 53.050 0.036 0.000 0.845 506 N CB 1.586 40.111 38.487 0.063 0.000 0.980 506 N HN 0.125 nan 8.380 nan 0.000 0.486 507 V N 0.768 120.684 119.914 0.004 0.000 2.735 507 V HA 0.237 4.357 4.120 0.000 0.000 0.310 507 V C -0.792 175.310 176.094 0.013 0.000 1.061 507 V CA -0.778 61.535 62.300 0.022 0.000 0.913 507 V CB 2.275 34.086 31.823 -0.020 0.000 1.005 507 V HN 0.001 nan 8.190 nan 0.000 0.428 508 Q N 6.227 126.052 119.800 0.041 0.000 2.613 508 Q HA 0.257 4.597 4.340 0.000 0.000 0.228 508 Q C -0.290 175.694 176.000 -0.027 0.000 1.318 508 Q CA -0.112 55.690 55.803 -0.001 0.000 0.907 508 Q CB 0.259 29.011 28.738 0.024 0.000 1.593 508 Q HN 0.590 nan 8.270 nan 0.000 0.559 509 M N 3.272 122.843 119.600 -0.048 0.000 2.241 509 M HA 0.287 4.768 4.480 0.000 0.000 0.335 509 M C -1.891 174.359 176.300 -0.084 0.000 1.122 509 M CA -2.197 53.068 55.300 -0.058 0.000 1.164 509 M CB -0.228 32.337 32.600 -0.057 0.000 1.459 509 M HN 0.279 nan 8.290 nan 0.000 0.461 510 P HA 0.310 nan 4.420 nan 0.000 0.280 510 P C -0.895 176.349 177.300 -0.093 0.000 1.272 510 P CA -0.396 62.641 63.100 -0.106 0.000 0.819 510 P CB 0.873 32.506 31.700 -0.113 0.000 1.122 511 S N -0.721 114.912 115.700 -0.111 0.000 2.739 511 S HA 0.641 5.112 4.470 0.000 0.000 0.306 511 S C -0.548 173.991 174.600 -0.102 0.000 1.115 511 S CA -0.742 57.406 58.200 -0.086 0.000 0.985 511 S CB 1.617 64.763 63.200 -0.090 0.000 1.133 511 S HN 0.506 nan 8.310 nan 0.000 0.541 512 K N 0.409 120.769 120.400 -0.066 0.000 2.426 512 K HA 0.407 4.727 4.320 0.000 0.000 0.254 512 K C -1.451 175.122 176.600 -0.045 0.000 0.936 512 K CA -0.486 55.767 56.287 -0.056 0.000 0.801 512 K CB 1.392 33.881 32.500 -0.019 0.000 1.139 512 K HN 0.723 nan 8.250 nan 0.000 0.424 513 K N 5.402 125.769 120.400 -0.055 0.000 2.339 513 K HA 0.300 4.620 4.320 0.000 0.000 0.264 513 K C -1.549 175.043 176.600 -0.014 0.000 0.986 513 K CA -0.807 55.457 56.287 -0.039 0.000 0.866 513 K CB 0.978 33.435 32.500 -0.072 0.000 1.103 513 K HN 0.450 nan 8.250 nan 0.000 0.441 514 L N 4.343 125.573 121.223 0.011 0.000 2.287 514 L HA 0.499 4.839 4.340 0.000 0.000 0.287 514 L C -0.982 175.914 176.870 0.044 0.000 1.022 514 L CA 0.284 55.159 54.840 0.060 0.000 0.814 514 L CB 1.192 43.340 42.059 0.149 0.000 1.217 514 L HN 0.862 nan 8.230 nan 0.000 0.420 515 D N 2.967 123.236 120.400 -0.218 0.000 3.057 515 D HA 0.541 5.181 4.640 0.000 0.000 0.328 515 D C -1.499 174.483 176.300 -0.531 0.000 1.317 515 D CA 0.001 53.778 54.000 -0.372 0.000 0.973 515 D CB 1.427 41.937 40.800 -0.485 0.000 1.424 515 D HN 0.216 nan 8.370 nan 0.000 0.569 516 F N -0.499 119.117 119.950 -0.557 0.000 2.711 516 F HA 0.691 5.218 4.527 0.000 0.000 0.313 516 F C -1.106 174.776 175.800 0.136 0.000 1.141 516 F CA -1.101 56.712 58.000 -0.310 0.000 0.941 516 F CB 0.873 39.273 39.000 -1.001 0.000 1.349 516 F HN 0.319 nan 8.300 nan 0.000 0.464 517 I N -0.262 120.608 120.570 0.501 0.000 2.934 517 I HA 0.681 4.851 4.170 0.000 0.000 0.306 517 I C -1.450 174.923 176.117 0.425 0.000 1.110 517 I CA -1.306 60.211 61.300 0.362 0.000 1.019 517 I CB 2.569 40.744 38.000 0.291 0.000 1.227 517 I HN 0.648 nan 8.210 nan 0.000 0.434 518 I N 4.443 125.188 120.570 0.292 0.000 2.307 518 I HA 0.323 4.493 4.170 0.000 0.000 0.289 518 I C -0.575 175.692 176.117 0.249 0.000 1.021 518 I CA -0.400 61.065 61.300 0.274 0.000 1.224 518 I CB 1.352 39.465 38.000 0.188 0.000 1.376 518 I HN 0.346 nan 8.210 nan 0.000 0.470 519 L N 8.052 129.501 121.223 0.376 0.000 2.270 519 L HA 0.253 4.594 4.340 0.000 0.000 0.286 519 L C -0.056 176.952 176.870 0.230 0.000 1.059 519 L CA -0.710 54.291 54.840 0.268 0.000 0.839 519 L CB 0.245 42.453 42.059 0.247 0.000 1.221 519 L HN 0.786 nan 8.230 nan 0.000 0.431 520 N N 4.618 123.395 118.700 0.129 0.000 2.665 520 N HA -0.300 4.440 4.740 0.000 0.000 0.306 520 N C 0.245 175.814 175.510 0.097 0.000 1.244 520 N CA 1.171 54.275 53.050 0.090 0.000 0.715 520 N CB -0.273 38.250 38.487 0.059 0.000 1.011 520 N HN 0.836 nan 8.380 nan 0.000 0.547 521 E N -2.241 118.006 120.200 0.078 0.000 4.231 521 E HA -0.209 4.141 4.350 0.000 0.000 0.174 521 E C -0.095 176.530 176.600 0.041 0.000 1.158 521 E CA 2.196 58.628 56.400 0.053 0.000 2.501 521 E CB -1.992 27.731 29.700 0.038 0.000 1.722 521 E HN 0.798 nan 8.360 nan 0.000 0.491 522 T N 3.910 118.498 114.554 0.056 0.000 2.904 522 T HA 0.391 4.741 4.350 0.000 0.000 0.290 522 T C 0.547 175.193 174.700 -0.090 0.000 1.018 522 T CA -0.034 62.025 62.100 -0.069 0.000 1.075 522 T CB 1.265 70.040 68.868 -0.155 0.000 0.986 522 T HN 0.254 nan 8.240 nan 0.000 0.523 523 K N 1.558 121.777 120.400 -0.300 0.000 2.164 523 K HA 0.575 4.895 4.320 0.000 0.000 0.258 523 K C -1.607 174.721 176.600 -0.453 0.000 0.951 523 K CA -0.660 55.499 56.287 -0.213 0.000 0.844 523 K CB 1.032 33.295 32.500 -0.394 0.000 1.099 523 K HN 0.396 nan 8.250 nan 0.000 0.435 524 F N 1.521 121.544 119.950 0.122 0.000 2.529 524 F HA 0.375 4.902 4.527 0.000 0.000 0.320 524 F C -0.782 175.144 175.800 0.211 0.000 1.118 524 F CA -0.727 57.357 58.000 0.140 0.000 0.915 524 F CB 1.146 40.210 39.000 0.106 0.000 1.161 524 F HN 0.536 nan 8.300 nan 0.000 0.445 525 W N 3.185 124.645 121.300 0.268 0.000 2.215 525 W HA 0.509 5.169 4.660 0.000 0.000 0.342 525 W C -0.572 176.184 176.519 0.394 0.000 1.237 525 W CA -0.439 57.086 57.345 0.300 0.000 1.283 525 W CB 0.433 29.987 29.460 0.157 0.000 1.131 525 W HN 0.450 nan 8.180 nan 0.000 0.606 526 Y N -0.745 119.922 120.300 0.613 0.000 2.638 526 Y HA 0.599 5.149 4.550 0.000 0.000 0.335 526 Y C -1.121 175.018 175.900 0.399 0.000 1.155 526 Y CA -1.966 56.474 58.100 0.567 0.000 1.046 526 Y CB 0.954 39.898 38.460 0.807 0.000 1.303 526 Y HN 0.578 nan 8.280 nan 0.000 0.460 527 Q N 2.226 122.330 119.800 0.507 0.000 2.421 527 Q HA 0.802 5.142 4.340 0.000 0.000 0.280 527 Q C -1.811 174.341 176.000 0.253 0.000 1.085 527 Q CA -1.235 54.732 55.803 0.274 0.000 0.807 527 Q CB 3.438 32.281 28.738 0.176 0.000 1.405 527 Q HN 0.843 nan 8.270 nan 0.000 0.419 528 M N 2.470 122.137 119.600 0.110 0.000 2.213 528 M HA 0.391 4.871 4.480 0.000 0.000 0.286 528 M C -1.247 174.999 176.300 -0.090 0.000 1.008 528 M CA -0.829 54.460 55.300 -0.018 0.000 0.937 528 M CB 2.091 34.636 32.600 -0.092 0.000 1.600 528 M HN 0.595 nan 8.290 nan 0.000 0.450 529 I N 5.271 125.789 120.570 -0.087 0.000 2.347 529 I HA 0.261 4.431 4.170 0.000 0.000 0.294 529 I C -0.174 175.826 176.117 -0.194 0.000 1.090 529 I CA -0.020 61.209 61.300 -0.119 0.000 1.314 529 I CB -0.241 37.705 38.000 -0.090 0.000 1.423 529 I HN 0.652 nan 8.210 nan 0.000 0.503 530 L N 8.539 129.602 121.223 -0.267 0.000 2.334 530 L HA 0.431 4.771 4.340 0.000 0.000 0.277 530 L C -2.166 174.551 176.870 -0.255 0.000 1.075 530 L CA -1.823 52.775 54.840 -0.404 0.000 0.804 530 L CB 0.926 42.592 42.059 -0.655 0.000 1.174 530 L HN 0.265 nan 8.230 nan 0.000 0.438 531 P HA 0.159 nan 4.420 nan 0.000 0.272 531 P C -2.492 174.778 177.300 -0.049 0.000 1.230 531 P CA -1.081 61.983 63.100 -0.061 0.000 0.788 531 P CB -0.036 31.718 31.700 0.089 0.000 0.949 532 P HA -0.030 nan 4.420 nan 0.000 0.268 532 P C -0.323 176.855 177.300 -0.202 0.000 1.208 532 P CA 0.644 63.570 63.100 -0.289 0.000 0.777 532 P CB -0.186 31.253 31.700 -0.435 0.000 0.875 533 H N -1.309 117.807 119.070 0.077 0.000 2.655 533 H HA -0.220 4.336 4.556 0.000 0.000 0.313 533 H C 0.027 175.420 175.328 0.108 0.000 1.141 533 H CA -0.012 56.080 56.048 0.074 0.000 1.138 533 H CB -2.345 27.452 29.762 0.058 0.000 1.446 533 H HN 0.361 nan 8.280 nan 0.000 0.415 534 F N 2.436 122.383 119.950 -0.006 0.000 2.578 534 F HA 0.199 4.726 4.527 0.000 0.000 0.381 534 F C 0.483 176.261 175.800 -0.036 0.000 1.069 534 F CA -0.385 57.554 58.000 -0.102 0.000 1.231 534 F CB 0.570 39.386 39.000 -0.307 0.000 1.086 534 F HN 0.182 nan 8.300 nan 0.000 0.564 535 D N 5.572 125.563 120.400 -0.682 0.000 2.453 535 D HA 0.155 4.796 4.640 0.000 0.000 0.238 535 D C 0.485 176.315 176.300 -0.782 0.000 1.088 535 D CA -0.644 53.027 54.000 -0.549 0.000 0.854 535 D CB 0.976 41.678 40.800 -0.163 0.000 1.076 535 D HN 0.640 nan 8.370 nan 0.000 0.533 536 K N 1.482 121.383 120.400 -0.832 0.000 2.589 536 K HA -0.114 4.206 4.320 0.000 0.000 0.195 536 K C 1.113 177.679 176.600 -0.056 0.000 1.040 536 K CA 0.841 56.862 56.287 -0.443 0.000 0.950 536 K CB 0.092 32.486 32.500 -0.176 0.000 0.781 536 K HN 0.146 nan 8.250 nan 0.000 0.486 537 S N 0.184 115.825 115.700 -0.098 0.000 2.492 537 S HA 0.035 4.505 4.470 0.000 0.000 0.218 537 S C 0.473 175.075 174.600 0.004 0.000 1.016 537 S CA -0.305 57.883 58.200 -0.020 0.000 0.916 537 S CB 0.114 63.288 63.200 -0.043 0.000 0.791 537 S HN 0.408 nan 8.310 nan 0.000 0.513 538 K N 1.610 122.015 120.400 0.008 0.000 2.118 538 K HA 0.273 4.593 4.320 0.000 0.000 0.267 538 K C -0.978 175.679 176.600 0.095 0.000 0.991 538 K CA -0.469 55.804 56.287 -0.024 0.000 0.916 538 K CB 0.618 33.028 32.500 -0.149 0.000 1.041 538 K HN 0.049 nan 8.250 nan 0.000 0.455 539 K N 3.329 123.715 120.400 -0.024 0.000 2.253 539 K HA 0.187 4.507 4.320 0.000 0.000 0.277 539 K C -1.212 175.375 176.600 -0.023 0.000 1.053 539 K CA -0.478 55.848 56.287 0.065 0.000 0.892 539 K CB 0.689 33.185 32.500 -0.006 0.000 1.102 539 K HN 0.365 nan 8.250 nan 0.000 0.469 540 Y N 2.985 123.324 120.300 0.065 0.000 2.457 540 Y HA 0.303 4.854 4.550 0.000 0.000 0.333 540 Y C -2.013 173.816 175.900 -0.119 0.000 1.119 540 Y CA -2.844 55.261 58.100 0.009 0.000 1.143 540 Y CB 0.797 39.334 38.460 0.129 0.000 1.230 540 Y HN 0.479 nan 8.280 nan 0.000 0.469 541 P HA 0.248 nan 4.420 nan 0.000 0.285 541 P C -1.123 175.977 177.300 -0.333 0.000 1.259 541 P CA -0.236 62.540 63.100 -0.541 0.000 0.794 541 P CB 1.711 32.693 31.700 -1.196 0.000 0.940 542 L N 4.053 125.161 121.223 -0.191 0.000 2.346 542 L HA 0.534 4.874 4.340 0.000 0.000 0.276 542 L C -1.011 176.031 176.870 0.286 0.000 1.006 542 L CA -1.098 53.766 54.840 0.039 0.000 0.817 542 L CB 1.514 43.586 42.059 0.022 0.000 1.272 542 L HN 0.273 nan 8.230 nan 0.000 0.421 543 L N 5.919 127.331 121.223 0.314 0.000 2.319 543 L HA 0.387 4.727 4.340 0.000 0.000 0.281 543 L C -1.135 175.969 176.870 0.390 0.000 1.005 543 L CA -0.886 54.207 54.840 0.422 0.000 0.828 543 L CB 1.775 44.053 42.059 0.366 0.000 1.227 543 L HN 0.607 nan 8.230 nan 0.000 0.415 544 L N 5.370 126.872 121.223 0.465 0.000 2.312 544 L HA 0.270 4.610 4.340 0.000 0.000 0.287 544 L C -0.073 177.036 176.870 0.399 0.000 1.091 544 L CA 0.152 55.253 54.840 0.435 0.000 0.846 544 L CB 0.432 42.806 42.059 0.524 0.000 1.219 544 L HN 0.473 nan 8.230 nan 0.000 0.439 545 D N 4.168 124.786 120.400 0.364 0.000 2.339 545 D HA 0.219 4.859 4.640 0.000 0.000 0.256 545 D C -0.851 175.556 176.300 0.178 0.000 1.214 545 D CA 0.232 54.386 54.000 0.257 0.000 0.877 545 D CB 1.182 42.179 40.800 0.328 0.000 1.111 545 D HN 0.350 nan 8.370 nan 0.000 0.478 546 V N 4.921 124.875 119.914 0.065 0.000 2.962 546 V HA 0.602 4.722 4.120 0.000 0.000 0.313 546 V C -0.952 175.260 176.094 0.196 0.000 1.099 546 V CA -0.573 61.823 62.300 0.161 0.000 0.971 546 V CB 1.967 33.887 31.823 0.161 0.000 1.028 546 V HN 0.571 nan 8.190 nan 0.000 0.430 547 F N 4.122 124.148 119.950 0.126 0.000 1.881 547 F HA 0.653 5.180 4.527 0.000 0.000 0.233 547 F C 1.412 177.349 175.800 0.228 0.000 1.186 547 F CA 1.371 59.471 58.000 0.166 0.000 1.298 547 F CB -0.015 39.062 39.000 0.127 0.000 1.756 547 F HN 1.144 nan 8.300 nan 0.000 0.431 548 A N 1.100 124.045 122.820 0.209 0.000 2.899 548 A HA -0.064 4.256 4.320 0.000 0.000 0.257 548 A C 0.937 178.339 177.584 -0.303 0.000 1.335 548 A CA 0.876 52.953 52.037 0.067 0.000 0.924 548 A CB -2.655 16.441 19.000 0.160 0.000 1.105 548 A HN 1.172 nan 8.150 nan 0.000 0.765 549 G N -0.915 107.422 108.800 -0.772 0.000 2.667 549 G HA2 0.466 4.426 3.960 0.000 0.000 0.250 549 G HA3 0.466 4.426 3.960 0.000 0.000 0.250 549 G C -2.242 172.333 174.900 -0.543 0.000 1.212 549 G CA -0.730 43.535 45.100 -1.392 0.000 0.874 549 G HN 0.309 nan 8.290 nan 0.000 0.561 550 P HA 0.100 nan 4.420 nan 0.000 0.263 550 P C 0.494 177.659 177.300 -0.225 0.000 1.195 550 P CA 0.138 62.955 63.100 -0.472 0.000 0.762 550 P CB 0.691 31.709 31.700 -1.136 0.000 0.799 551 C N 2.737 121.968 119.300 -0.116 0.000 4.497 551 C HA -0.137 4.323 4.460 0.000 0.000 0.292 551 C C 0.845 175.866 174.990 0.053 0.000 1.366 551 C CA 1.082 60.003 59.018 -0.161 0.000 1.987 551 C CB -2.745 24.750 27.740 -0.407 0.000 1.241 551 C HN 0.780 nan 8.230 nan 0.000 0.788 552 S N 0.047 115.844 115.700 0.162 0.000 2.672 552 S HA 0.659 5.129 4.470 0.000 0.000 0.276 552 S C -0.712 174.060 174.600 0.287 0.000 1.207 552 S CA -0.060 58.332 58.200 0.320 0.000 1.002 552 S CB 1.805 65.300 63.200 0.492 0.000 0.998 552 S HN 0.816 nan 8.310 nan 0.000 0.542 553 Q N 0.230 120.220 119.800 0.317 0.000 2.295 553 Q HA 0.384 4.724 4.340 0.000 0.000 0.259 553 Q C -0.666 175.462 176.000 0.214 0.000 0.966 553 Q CA -0.621 55.354 55.803 0.288 0.000 0.763 553 Q CB 1.081 30.043 28.738 0.374 0.000 1.283 553 Q HN 0.701 nan 8.270 nan 0.000 0.445 554 K N 1.141 121.668 120.400 0.213 0.000 2.380 554 K HA 0.329 4.649 4.320 0.000 0.000 0.198 554 K C -0.349 176.362 176.600 0.186 0.000 1.070 554 K CA 0.295 56.697 56.287 0.191 0.000 1.040 554 K CB 1.518 34.161 32.500 0.237 0.000 0.903 554 K HN 0.489 nan 8.250 nan 0.000 0.549 555 A N 2.917 125.859 122.820 0.203 0.000 2.322 555 A HA 0.407 4.727 4.320 0.000 0.000 0.327 555 A C -0.761 176.901 177.584 0.130 0.000 1.394 555 A CA -0.541 51.620 52.037 0.207 0.000 0.921 555 A CB 0.060 19.249 19.000 0.315 0.000 1.153 555 A HN 0.223 nan 8.150 nan 0.000 0.523 556 D N -0.012 120.435 120.400 0.078 0.000 2.798 556 D HA 0.458 5.098 4.640 0.000 0.000 0.308 556 D C 0.420 176.729 176.300 0.015 0.000 1.187 556 D CA 0.277 54.301 54.000 0.041 0.000 1.033 556 D CB 0.348 41.157 40.800 0.015 0.000 1.445 556 D HN 0.157 nan 8.370 nan 0.000 0.550 557 T N -2.243 112.325 114.554 0.023 0.000 3.223 557 T HA 0.365 4.715 4.350 0.000 0.000 0.259 557 T C 0.282 174.942 174.700 -0.066 0.000 1.015 557 T CA -0.438 61.676 62.100 0.024 0.000 0.908 557 T CB -0.803 68.124 68.868 0.100 0.000 1.054 557 T HN 0.252 nan 8.240 nan 0.000 0.567 558 V N 2.244 122.021 119.914 -0.228 0.000 2.649 558 V HA 0.402 4.522 4.120 0.000 0.000 0.292 558 V C -0.024 176.027 176.094 -0.072 0.000 1.055 558 V CA -1.013 61.122 62.300 -0.274 0.000 1.023 558 V CB 0.523 32.063 31.823 -0.471 0.000 0.992 558 V HN 0.563 nan 8.190 nan 0.000 0.480 559 F N 5.743 125.603 119.950 -0.151 0.000 2.411 559 F HA 0.588 5.115 4.527 0.000 0.000 0.355 559 F C 0.403 176.152 175.800 -0.085 0.000 1.117 559 F CA -0.333 57.605 58.000 -0.103 0.000 1.139 559 F CB 0.358 39.305 39.000 -0.088 0.000 1.120 559 F HN 0.410 nan 8.300 nan 0.000 0.493 560 R N 5.781 125.833 120.500 -0.747 0.000 2.686 560 R HA 0.553 4.893 4.340 0.000 0.000 0.286 560 R C -1.849 174.034 176.300 -0.694 0.000 0.969 560 R CA -1.254 54.520 56.100 -0.542 0.000 0.898 560 R CB 1.989 32.134 30.300 -0.259 0.000 1.183 560 R HN 0.462 nan 8.270 nan 0.000 0.456 561 L N 4.340 125.324 121.223 -0.399 0.000 2.335 561 L HA 0.313 4.653 4.340 0.000 0.000 0.268 561 L C -0.719 176.123 176.870 -0.047 0.000 1.037 561 L CA -0.408 54.258 54.840 -0.289 0.000 0.895 561 L CB 0.140 42.153 42.059 -0.077 0.000 1.266 561 L HN 0.722 nan 8.230 nan 0.000 0.439 562 N N 0.037 118.641 118.700 -0.160 0.000 3.439 562 N HA 0.193 4.933 4.740 0.000 0.000 0.343 562 N C 0.574 175.749 175.510 -0.559 0.000 1.597 562 N CA -0.781 52.063 53.050 -0.344 0.000 0.733 562 N CB -0.098 38.316 38.487 -0.122 0.000 1.973 562 N HN 0.183 nan 8.380 nan 0.000 0.646 563 W N 0.588 121.336 121.300 -0.920 0.000 2.335 563 W HA 0.114 4.774 4.660 0.000 0.000 0.311 563 W C 2.110 178.599 176.519 -0.050 0.000 1.213 563 W CA 2.951 59.986 57.345 -0.516 0.000 1.274 563 W CB -1.050 28.242 29.460 -0.280 0.000 1.148 563 W HN 0.684 nan 8.180 nan 0.000 0.498 564 A N -0.532 122.294 122.820 0.011 0.000 1.978 564 A HA -0.213 4.107 4.320 0.000 0.000 0.220 564 A C 1.922 179.430 177.584 -0.126 0.000 1.170 564 A CA 2.452 54.425 52.037 -0.105 0.000 0.636 564 A CB -1.266 17.759 19.000 0.042 0.000 0.810 564 A HN 0.322 nan 8.150 nan 0.000 0.448 565 T N -1.280 113.225 114.554 -0.081 0.000 2.708 565 T HA -0.192 4.158 4.350 0.000 0.000 0.266 565 T C 1.804 176.566 174.700 0.103 0.000 1.037 565 T CA 1.733 63.784 62.100 -0.081 0.000 1.146 565 T CB -0.471 68.237 68.868 -0.267 0.000 0.865 565 T HN 0.702 nan 8.240 nan 0.000 0.435 566 Y N 2.084 122.477 120.300 0.155 0.000 2.114 566 Y HA -0.047 4.504 4.550 0.000 0.000 0.284 566 Y C 1.996 177.875 175.900 -0.036 0.000 1.143 566 Y CA 0.952 59.139 58.100 0.145 0.000 1.135 566 Y CB -0.840 37.674 38.460 0.089 0.000 0.980 566 Y HN 0.108 nan 8.280 nan 0.000 0.499 567 L N 0.185 120.957 121.223 -0.752 0.000 2.081 567 L HA -0.280 4.060 4.340 0.000 0.000 0.212 567 L C 2.752 179.366 176.870 -0.427 0.000 1.080 567 L CA 1.508 55.860 54.840 -0.813 0.000 0.754 567 L CB -0.928 40.711 42.059 -0.699 0.000 0.893 567 L HN 0.475 nan 8.230 nan 0.000 0.433 568 A N -1.529 121.134 122.820 -0.261 0.000 1.878 568 A HA -0.139 4.181 4.320 0.000 0.000 0.213 568 A C 2.477 180.003 177.584 -0.096 0.000 1.192 568 A CA 1.366 53.315 52.037 -0.146 0.000 0.619 568 A CB -0.500 18.421 19.000 -0.131 0.000 0.837 568 A HN 0.319 nan 8.150 nan 0.000 0.446 569 S N -0.828 114.832 115.700 -0.067 0.000 2.356 569 S HA -0.132 4.338 4.470 0.000 0.000 0.223 569 S C 1.945 176.557 174.600 0.020 0.000 1.032 569 S CA 2.434 60.641 58.200 0.012 0.000 1.005 569 S CB -0.366 62.914 63.200 0.133 0.000 0.867 569 S HN 0.572 nan 8.310 nan 0.000 0.449 570 T N 0.960 115.492 114.554 -0.037 0.000 3.021 570 T HA 0.197 4.547 4.350 0.000 0.000 0.245 570 T C 1.325 175.985 174.700 -0.067 0.000 1.028 570 T CA 0.446 62.542 62.100 -0.006 0.000 1.139 570 T CB -0.103 68.836 68.868 0.117 0.000 0.884 570 T HN 0.282 nan 8.240 nan 0.000 0.457 571 E N 1.469 121.538 120.200 -0.218 0.000 2.479 571 E HA 0.157 4.507 4.350 0.000 0.000 0.193 571 E C -0.136 176.431 176.600 -0.055 0.000 1.049 571 E CA -0.113 56.204 56.400 -0.139 0.000 0.870 571 E CB -0.503 29.059 29.700 -0.231 0.000 0.944 571 E HN 0.545 nan 8.360 nan 0.000 0.492 572 N N 0.768 119.453 118.700 -0.025 0.000 2.714 572 N HA -0.205 4.535 4.740 0.000 0.000 0.252 572 N C -0.826 174.761 175.510 0.128 0.000 1.014 572 N CA 0.279 53.386 53.050 0.096 0.000 0.735 572 N CB -1.195 37.377 38.487 0.141 0.000 0.924 572 N HN 0.228 nan 8.380 nan 0.000 0.540 573 I N 0.904 121.481 120.570 0.012 0.000 2.404 573 I HA 0.331 4.501 4.170 0.000 0.000 0.293 573 I C 0.514 176.618 176.117 -0.022 0.000 0.992 573 I CA -0.864 60.441 61.300 0.009 0.000 1.149 573 I CB 1.344 39.350 38.000 0.011 0.000 1.315 573 I HN 0.060 nan 8.210 nan 0.000 0.446 574 I N 6.841 127.405 120.570 -0.011 0.000 2.379 574 I HA 0.109 4.279 4.170 0.000 0.000 0.290 574 I C -0.275 175.826 176.117 -0.026 0.000 1.063 574 I CA -0.305 60.948 61.300 -0.078 0.000 1.351 574 I CB 0.725 38.671 38.000 -0.090 0.000 1.410 574 I HN 0.206 nan 8.210 nan 0.000 0.505 575 V N 7.329 127.224 119.914 -0.032 0.000 2.304 575 V HA 0.471 4.591 4.120 0.000 0.000 0.269 575 V C 0.643 176.771 176.094 0.056 0.000 1.036 575 V CA -0.358 61.973 62.300 0.052 0.000 0.840 575 V CB 0.832 32.688 31.823 0.056 0.000 1.036 575 V HN 0.849 nan 8.190 nan 0.000 0.466 576 A N 4.285 127.148 122.820 0.072 0.000 2.256 576 A HA 0.946 5.266 4.320 0.000 0.000 0.318 576 A C 0.056 177.782 177.584 0.237 0.000 1.103 576 A CA -0.465 51.611 52.037 0.065 0.000 0.860 576 A CB 1.323 20.189 19.000 -0.224 0.000 1.182 576 A HN 0.680 nan 8.150 nan 0.000 0.501 577 S N -0.901 114.998 115.700 0.332 0.000 2.533 577 S HA 0.646 5.116 4.470 0.000 0.000 0.271 577 S C -1.515 173.444 174.600 0.599 0.000 1.143 577 S CA -0.315 58.130 58.200 0.408 0.000 0.891 577 S CB 1.249 64.634 63.200 0.309 0.000 1.105 577 S HN 0.804 nan 8.310 nan 0.000 0.468 578 F N 1.722 121.909 119.950 0.395 0.000 2.578 578 F HA 0.578 5.105 4.527 0.000 0.000 0.311 578 F C -1.626 174.383 175.800 0.350 0.000 1.094 578 F CA -0.666 57.591 58.000 0.427 0.000 0.923 578 F CB 1.611 40.840 39.000 0.381 0.000 1.230 578 F HN 0.402 nan 8.300 nan 0.000 0.450 579 D N 3.861 124.033 120.400 -0.380 0.000 2.461 579 D HA 0.444 5.084 4.640 0.000 0.000 0.240 579 D C 0.128 176.127 176.300 -0.502 0.000 1.094 579 D CA 0.027 53.899 54.000 -0.214 0.000 0.868 579 D CB 1.563 42.399 40.800 0.059 0.000 1.062 579 D HN 0.786 nan 8.370 nan 0.000 0.530 580 G N 1.075 109.706 108.800 -0.282 0.000 2.971 580 G HA2 0.391 4.352 3.960 0.000 0.000 0.235 580 G HA3 0.391 4.352 3.960 0.000 0.000 0.235 580 G C -0.077 174.867 174.900 0.073 0.000 1.351 580 G CA -0.793 44.181 45.100 -0.209 0.000 1.039 580 G HN 0.236 nan 8.290 nan 0.000 0.563 581 R N -0.808 119.714 120.500 0.037 0.000 2.500 581 R HA 0.326 4.667 4.340 0.000 0.000 0.281 581 R C 1.382 177.774 176.300 0.154 0.000 0.953 581 R CA 2.208 58.402 56.100 0.156 0.000 1.108 581 R CB 0.168 30.529 30.300 0.102 0.000 0.901 581 R HN 1.360 nan 8.270 nan 0.000 0.410 582 G N 1.118 109.999 108.800 0.135 0.000 2.284 582 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 582 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 582 G C 0.097 175.024 174.900 0.046 0.000 1.009 582 G CA 0.022 45.178 45.100 0.093 0.000 0.625 582 G HN 0.641 nan 8.290 nan 0.000 0.501 583 S N 0.760 116.502 115.700 0.070 0.000 2.572 583 S HA 0.502 4.972 4.470 0.000 0.000 0.267 583 S C 0.984 175.567 174.600 -0.027 0.000 1.361 583 S CA 0.380 58.615 58.200 0.060 0.000 1.009 583 S CB 1.203 64.470 63.200 0.111 0.000 0.888 583 S HN 1.381 nan 8.310 nan 0.000 0.553 584 G N -0.924 107.819 108.800 -0.095 0.000 2.705 584 G HA2 0.510 4.470 3.960 0.000 0.000 0.299 584 G HA3 0.510 4.470 3.960 0.000 0.000 0.299 584 G C -1.063 173.660 174.900 -0.294 0.000 1.315 584 G CA -0.877 43.989 45.100 -0.391 0.000 1.045 584 G HN 0.755 nan 8.290 nan 0.000 0.517 585 Y N -2.200 118.098 120.300 -0.004 0.000 4.079 585 Y HA -0.218 4.332 4.550 0.000 0.000 0.223 585 Y C 1.324 177.217 175.900 -0.011 0.000 1.155 585 Y CA 1.094 59.193 58.100 -0.002 0.000 1.805 585 Y CB -2.244 36.235 38.460 0.033 0.000 1.571 585 Y HN 0.547 nan 8.280 nan 0.000 0.654 586 Q N -0.395 119.399 119.800 -0.010 0.000 2.064 586 Q HA 0.497 4.837 4.340 0.000 0.000 0.213 586 Q C 0.870 176.704 176.000 -0.278 0.000 0.779 586 Q CA 0.196 55.994 55.803 -0.008 0.000 1.032 586 Q CB 1.805 30.541 28.738 -0.004 0.000 1.203 586 Q HN 0.617 nan 8.270 nan 0.000 0.457 587 G N 0.770 109.268 108.800 -0.503 0.000 2.650 587 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 587 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 587 G C -0.576 173.925 174.900 -0.664 0.000 1.205 587 G CA -0.607 43.919 45.100 -0.956 0.000 0.781 587 G HN 0.065 nan 8.290 nan 0.000 0.648 588 D N -0.052 119.919 120.400 -0.715 0.000 2.264 588 D HA -0.059 4.581 4.640 0.000 0.000 0.208 588 D C 2.169 178.163 176.300 -0.511 0.000 0.966 588 D CA 1.286 54.803 54.000 -0.804 0.000 0.864 588 D CB 0.095 40.339 40.800 -0.927 0.000 0.933 588 D HN 0.614 nan 8.370 nan 0.000 0.499 589 K N 0.377 120.547 120.400 -0.382 0.000 2.147 589 K HA -0.105 4.215 4.320 0.000 0.000 0.205 589 K C 1.673 178.191 176.600 -0.137 0.000 1.049 589 K CA 0.758 56.919 56.287 -0.211 0.000 0.936 589 K CB 0.173 32.568 32.500 -0.176 0.000 0.722 589 K HN 0.001 nan 8.250 nan 0.000 0.446 590 I N 0.825 121.295 120.570 -0.165 0.000 2.296 590 I HA -0.162 4.009 4.170 0.000 0.000 0.242 590 I C 2.467 178.570 176.117 -0.022 0.000 1.087 590 I CA 1.003 62.278 61.300 -0.042 0.000 1.393 590 I CB -0.907 37.066 38.000 -0.045 0.000 1.093 590 I HN 0.331 nan 8.210 nan 0.000 0.421 591 M N 0.235 119.759 119.600 -0.128 0.000 2.117 591 M HA -0.216 4.264 4.480 0.000 0.000 0.262 591 M C 1.982 178.349 176.300 0.112 0.000 1.065 591 M CA 1.901 57.165 55.300 -0.061 0.000 1.114 591 M CB -0.353 32.117 32.600 -0.217 0.000 1.361 591 M HN 0.256 nan 8.290 nan 0.000 0.408 592 H N -0.758 118.216 119.070 -0.159 0.000 2.547 592 H HA 0.178 4.734 4.556 0.000 0.000 0.266 592 H C 1.827 177.181 175.328 0.043 0.000 0.988 592 H CA 0.085 56.059 56.048 -0.123 0.000 1.147 592 H CB 0.164 29.751 29.762 -0.291 0.000 1.365 592 H HN 0.530 nan 8.280 nan 0.000 0.589 593 A N 1.559 124.483 122.820 0.172 0.000 2.019 593 A HA -0.128 4.193 4.320 0.000 0.000 0.219 593 A C 2.058 179.849 177.584 0.346 0.000 1.164 593 A CA 1.057 53.200 52.037 0.178 0.000 0.644 593 A CB -0.633 18.414 19.000 0.078 0.000 0.805 593 A HN 0.578 nan 8.150 nan 0.000 0.449 594 I N -2.973 117.780 120.570 0.305 0.000 3.861 594 I HA 0.155 4.325 4.170 0.000 0.000 0.329 594 I C 0.376 176.581 176.117 0.147 0.000 1.321 594 I CA -0.484 60.958 61.300 0.237 0.000 1.126 594 I CB -0.528 37.572 38.000 0.167 0.000 1.018 594 I HN 0.210 nan 8.210 nan 0.000 0.407 595 N N 2.994 121.820 118.700 0.211 0.000 2.412 595 N HA -0.055 4.685 4.740 0.000 0.000 0.258 595 N C 0.266 175.798 175.510 0.038 0.000 1.236 595 N CA 0.293 53.457 53.050 0.191 0.000 0.882 595 N CB 0.385 38.968 38.487 0.160 0.000 1.066 595 N HN 0.422 nan 8.380 nan 0.000 0.465 596 R N 0.556 121.050 120.500 -0.010 0.000 4.023 596 R HA -0.199 4.142 4.340 0.000 0.000 0.368 596 R C -0.264 175.887 176.300 -0.248 0.000 1.187 596 R CA 0.975 57.024 56.100 -0.086 0.000 1.089 596 R CB -0.851 29.422 30.300 -0.046 0.000 1.574 596 R HN 0.566 nan 8.270 nan 0.000 0.564 597 R N 0.745 121.083 120.500 -0.270 0.000 2.772 597 R HA 0.363 4.703 4.340 0.000 0.000 0.358 597 R C -0.359 175.850 176.300 -0.151 0.000 1.143 597 R CA -0.205 55.568 56.100 -0.545 0.000 1.153 597 R CB 0.486 30.523 30.300 -0.438 0.000 1.329 597 R HN 0.077 nan 8.270 nan 0.000 0.615 598 L N -0.473 120.783 121.223 0.055 0.000 2.483 598 L HA 0.195 4.535 4.340 0.000 0.000 0.275 598 L C 1.314 178.437 176.870 0.422 0.000 1.220 598 L CA 0.935 55.868 54.840 0.155 0.000 0.833 598 L CB 0.453 42.413 42.059 -0.165 0.000 1.102 598 L HN 0.707 nan 8.230 nan 0.000 0.490 599 G N 0.581 109.667 108.800 0.477 0.000 2.153 599 G HA2 -0.298 3.662 3.960 0.000 0.000 0.252 599 G HA3 -0.298 3.662 3.960 0.000 0.000 0.252 599 G C 0.472 175.477 174.900 0.174 0.000 0.994 599 G CA 0.651 46.003 45.100 0.420 0.000 0.698 599 G HN 0.860 nan 8.290 nan 0.000 0.521 600 T N -3.643 110.961 114.554 0.083 0.000 3.257 600 T HA 0.459 4.809 4.350 0.000 0.000 0.176 600 T C 1.664 176.329 174.700 -0.058 0.000 0.892 600 T CA 0.910 62.945 62.100 -0.108 0.000 1.147 600 T CB -0.064 68.546 68.868 -0.429 0.000 1.840 600 T HN 0.144 nan 8.240 nan 0.000 0.375 601 F N 3.535 123.530 119.950 0.075 0.000 2.126 601 F HA 0.033 4.560 4.527 0.000 0.000 0.299 601 F C 2.823 178.663 175.800 0.066 0.000 1.096 601 F CA 1.358 59.391 58.000 0.055 0.000 1.255 601 F CB -0.703 38.326 39.000 0.047 0.000 0.997 601 F HN 0.518 nan 8.300 nan 0.000 0.479 602 E N 0.898 121.259 120.200 0.268 0.000 2.150 602 E HA -0.153 4.197 4.350 0.000 0.000 0.193 602 E C 2.323 179.035 176.600 0.187 0.000 0.985 602 E CA 1.530 58.061 56.400 0.218 0.000 0.814 602 E CB -1.206 28.621 29.700 0.212 0.000 0.752 602 E HN 0.361 nan 8.360 nan 0.000 0.466 603 V N 0.954 120.955 119.914 0.146 0.000 2.407 603 V HA -0.165 3.955 4.120 0.000 0.000 0.245 603 V C 1.990 178.124 176.094 0.067 0.000 1.041 603 V CA 1.915 64.259 62.300 0.073 0.000 1.040 603 V CB -0.206 31.612 31.823 -0.008 0.000 0.671 603 V HN 0.162 nan 8.190 nan 0.000 0.455 604 E N 0.028 120.280 120.200 0.086 0.000 2.058 604 E HA -0.230 4.120 4.350 0.000 0.000 0.194 604 E C 1.962 178.599 176.600 0.061 0.000 0.997 604 E CA 1.739 58.185 56.400 0.078 0.000 0.801 604 E CB -0.233 29.542 29.700 0.124 0.000 0.746 604 E HN 0.635 nan 8.360 nan 0.000 0.450 605 D N 0.385 120.841 120.400 0.093 0.000 2.178 605 D HA -0.151 4.489 4.640 0.000 0.000 0.202 605 D C 1.968 178.284 176.300 0.027 0.000 0.974 605 D CA 0.877 54.911 54.000 0.057 0.000 0.841 605 D CB -0.160 40.714 40.800 0.123 0.000 0.953 605 D HN 0.026 nan 8.370 nan 0.000 0.478 606 Q N 0.383 120.260 119.800 0.128 0.000 2.124 606 Q HA -0.032 4.309 4.340 0.000 0.000 0.202 606 Q C 2.104 178.141 176.000 0.060 0.000 0.977 606 Q CA 0.866 56.752 55.803 0.139 0.000 0.850 606 Q CB -0.193 28.642 28.738 0.161 0.000 0.901 606 Q HN 0.363 nan 8.270 nan 0.000 0.429 607 I N -0.265 120.343 120.570 0.064 0.000 2.406 607 I HA -0.152 4.018 4.170 0.000 0.000 0.249 607 I C 2.149 178.224 176.117 -0.070 0.000 1.122 607 I CA 0.677 62.045 61.300 0.114 0.000 1.431 607 I CB -0.221 37.846 38.000 0.113 0.000 1.087 607 I HN 0.159 nan 8.210 nan 0.000 0.424 608 E N 1.569 121.678 120.200 -0.152 0.000 2.051 608 E HA -0.204 4.146 4.350 0.000 0.000 0.192 608 E C 2.233 178.557 176.600 -0.459 0.000 0.991 608 E CA 1.709 57.964 56.400 -0.243 0.000 0.799 608 E CB -0.249 29.323 29.700 -0.214 0.000 0.748 608 E HN 0.419 nan 8.360 nan 0.000 0.449 609 A N 1.212 123.598 122.820 -0.724 0.000 1.851 609 A HA -0.180 4.140 4.320 0.000 0.000 0.216 609 A C 2.490 179.401 177.584 -1.123 0.000 1.195 609 A CA 2.921 54.209 52.037 -1.248 0.000 0.622 609 A CB -1.136 16.834 19.000 -1.716 0.000 0.831 609 A HN 0.336 nan 8.150 nan 0.000 0.444 610 A N -0.616 121.892 122.820 -0.520 0.000 1.948 610 A HA -0.245 4.075 4.320 0.000 0.000 0.220 610 A C 2.259 179.657 177.584 -0.311 0.000 1.177 610 A CA 2.059 53.959 52.037 -0.230 0.000 0.636 610 A CB -0.564 18.386 19.000 -0.083 0.000 0.815 610 A HN 0.590 nan 8.150 nan 0.000 0.449 611 R N -0.565 119.743 120.500 -0.319 0.000 2.083 611 R HA -0.184 4.157 4.340 0.000 0.000 0.237 611 R C 2.370 178.513 176.300 -0.262 0.000 1.137 611 R CA 1.926 57.874 56.100 -0.254 0.000 0.951 611 R CB -0.286 29.893 30.300 -0.203 0.000 0.851 611 R HN 0.717 nan 8.270 nan 0.000 0.434 612 Q N -0.870 118.706 119.800 -0.373 0.000 2.172 612 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 612 Q C 1.894 177.753 176.000 -0.236 0.000 0.964 612 Q CA 1.055 56.666 55.803 -0.320 0.000 0.855 612 Q CB 0.010 28.522 28.738 -0.376 0.000 0.918 612 Q HN 0.302 nan 8.270 nan 0.000 0.444 613 F N 1.042 120.830 119.950 -0.270 0.000 2.146 613 F HA -0.182 4.345 4.527 0.000 0.000 0.298 613 F C 2.786 178.412 175.800 -0.290 0.000 1.096 613 F CA 1.303 59.127 58.000 -0.294 0.000 1.275 613 F CB -1.208 37.637 39.000 -0.259 0.000 1.008 613 F HN 0.079 nan 8.300 nan 0.000 0.480 614 S N 0.212 115.875 115.700 -0.061 0.000 2.400 614 S HA -0.218 4.253 4.470 0.000 0.000 0.232 614 S C 1.708 176.223 174.600 -0.141 0.000 1.025 614 S CA 1.175 59.303 58.200 -0.120 0.000 0.993 614 S CB -0.664 62.450 63.200 -0.142 0.000 0.808 614 S HN 0.451 nan 8.310 nan 0.000 0.478 615 K N 0.573 120.890 120.400 -0.138 0.000 2.459 615 K HA 0.276 4.596 4.320 0.000 0.000 0.193 615 K C 1.807 178.318 176.600 -0.149 0.000 1.030 615 K CA 0.390 56.602 56.287 -0.125 0.000 1.026 615 K CB -0.266 32.172 32.500 -0.103 0.000 0.809 615 K HN 0.444 nan 8.250 nan 0.000 0.504 616 M N -0.239 119.222 119.600 -0.233 0.000 2.346 616 M HA -0.125 4.355 4.480 0.000 0.000 0.263 616 M C 1.555 177.664 176.300 -0.318 0.000 1.064 616 M CA 1.690 56.787 55.300 -0.339 0.000 1.083 616 M CB -0.292 31.892 32.600 -0.693 0.000 1.399 616 M HN 0.568 nan 8.290 nan 0.000 0.435 617 G N 0.622 109.268 108.800 -0.257 0.000 2.358 617 G HA2 -0.312 3.648 3.960 0.000 0.000 0.224 617 G HA3 -0.312 3.648 3.960 0.000 0.000 0.224 617 G C 0.538 175.426 174.900 -0.019 0.000 1.073 617 G CA 0.281 45.322 45.100 -0.097 0.000 0.635 617 G HN 0.574 nan 8.290 nan 0.000 0.509 618 F N 1.120 121.128 119.950 0.096 0.000 2.645 618 F HA 0.784 5.311 4.527 0.000 0.000 0.300 618 F C 0.128 176.054 175.800 0.211 0.000 1.115 618 F CA -1.134 56.966 58.000 0.165 0.000 1.355 618 F CB 0.217 39.348 39.000 0.218 0.000 1.026 618 F HN 0.115 nan 8.300 nan 0.000 0.536 619 V N 1.583 121.422 119.914 -0.125 0.000 2.409 619 V HA 0.186 4.306 4.120 0.000 0.000 0.291 619 V C -0.707 175.351 176.094 -0.060 0.000 1.020 619 V CA -0.834 61.421 62.300 -0.075 0.000 0.848 619 V CB 1.474 33.158 31.823 -0.231 0.000 0.990 619 V HN 0.066 nan 8.190 nan 0.000 0.430 620 D N 4.444 124.823 120.400 -0.037 0.000 2.348 620 D HA 0.003 4.643 4.640 0.000 0.000 0.259 620 D C 1.386 177.637 176.300 -0.081 0.000 1.296 620 D CA -0.085 53.875 54.000 -0.068 0.000 0.931 620 D CB 0.656 41.397 40.800 -0.098 0.000 1.067 620 D HN 0.655 nan 8.370 nan 0.000 0.503 621 N N 3.870 122.523 118.700 -0.077 0.000 2.430 621 N HA -0.213 4.527 4.740 0.000 0.000 0.186 621 N C 0.779 176.250 175.510 -0.065 0.000 1.032 621 N CA 1.039 54.039 53.050 -0.084 0.000 0.893 621 N CB -0.103 38.333 38.487 -0.084 0.000 0.957 621 N HN 0.390 nan 8.380 nan 0.000 0.442 622 K N -0.358 120.014 120.400 -0.046 0.000 2.400 622 K HA 0.155 4.475 4.320 0.000 0.000 0.194 622 K C 0.261 176.873 176.600 0.021 0.000 1.033 622 K CA 0.249 56.526 56.287 -0.017 0.000 1.021 622 K CB 0.380 32.872 32.500 -0.014 0.000 0.808 622 K HN 0.154 nan 8.250 nan 0.000 0.505 623 R N 1.269 121.767 120.500 -0.002 0.000 2.651 623 R HA 0.359 4.700 4.340 0.000 0.000 0.282 623 R C -1.005 175.353 176.300 0.097 0.000 1.565 623 R CA -0.125 56.015 56.100 0.067 0.000 1.661 623 R CB 0.622 30.838 30.300 -0.140 0.000 1.189 623 R HN -0.006 nan 8.270 nan 0.000 0.621 624 I N 1.347 122.048 120.570 0.219 0.000 2.418 624 I HA 0.488 4.658 4.170 0.000 0.000 0.287 624 I C 0.059 176.433 176.117 0.429 0.000 1.008 624 I CA -0.666 60.771 61.300 0.228 0.000 1.104 624 I CB 1.901 39.857 38.000 -0.074 0.000 1.264 624 I HN 0.378 nan 8.210 nan 0.000 0.438 625 A N 7.148 130.327 122.820 0.598 0.000 2.373 625 A HA 0.941 5.261 4.320 0.000 0.000 0.291 625 A C -0.839 177.121 177.584 0.627 0.000 1.171 625 A CA -0.681 51.669 52.037 0.522 0.000 0.922 625 A CB 1.891 21.032 19.000 0.234 0.000 1.400 625 A HN 0.727 nan 8.150 nan 0.000 0.474 626 I N -0.209 120.641 120.570 0.466 0.000 2.731 626 I HA 0.538 4.709 4.170 0.000 0.000 0.289 626 I C -2.144 174.229 176.117 0.427 0.000 1.399 626 I CA -0.525 60.990 61.300 0.357 0.000 1.048 626 I CB 1.434 39.370 38.000 -0.107 0.000 1.345 626 I HN 0.972 nan 8.210 nan 0.000 0.425 627 W N 7.233 128.671 121.300 0.230 0.000 3.075 627 W HA 0.891 5.551 4.660 0.000 0.000 0.334 627 W C -1.259 175.419 176.519 0.265 0.000 1.243 627 W CA -0.917 56.573 57.345 0.242 0.000 1.170 627 W CB 1.119 30.773 29.460 0.323 0.000 1.452 627 W HN 0.837 nan 8.180 nan 0.000 0.572 628 G N 0.298 109.044 108.800 -0.089 0.000 2.576 628 G HA2 0.477 4.438 3.960 0.000 0.000 0.290 628 G HA3 0.477 4.438 3.960 0.000 0.000 0.290 628 G C -2.777 172.105 174.900 -0.030 0.000 1.442 628 G CA -0.750 44.164 45.100 -0.310 0.000 0.792 628 G HN 0.633 nan 8.290 nan 0.000 0.491 629 W N 0.516 121.735 121.300 -0.134 0.000 2.761 629 W HA 0.605 5.265 4.660 0.000 0.000 0.340 629 W C 0.910 177.508 176.519 0.132 0.000 1.072 629 W CA 0.427 57.768 57.345 -0.007 0.000 1.215 629 W CB 1.979 31.420 29.460 -0.031 0.000 1.420 629 W HN 1.136 nan 8.180 nan 0.000 0.519 630 S N 1.912 117.895 115.700 0.472 0.000 4.138 630 S HA -0.437 4.033 4.470 0.000 0.000 0.574 630 S C 1.208 175.936 174.600 0.214 0.000 1.895 630 S CA 2.061 60.531 58.200 0.450 0.000 4.239 630 S CB -1.810 61.834 63.200 0.740 0.000 0.264 630 S HN 0.724 nan 8.310 nan 0.000 0.489 631 Y N 2.455 122.784 120.300 0.048 0.000 2.256 631 Y HA -0.024 4.527 4.550 0.000 0.000 0.288 631 Y C 2.346 178.150 175.900 -0.160 0.000 1.155 631 Y CA 2.460 60.435 58.100 -0.208 0.000 1.203 631 Y CB -1.036 37.020 38.460 -0.674 0.000 0.980 631 Y HN 0.501 nan 8.280 nan 0.000 0.530 632 G N -1.051 107.803 108.800 0.090 0.000 2.408 632 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 632 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 632 G C 1.945 176.897 174.900 0.085 0.000 1.150 632 G CA 0.707 45.884 45.100 0.129 0.000 0.776 632 G HN 0.575 nan 8.290 nan 0.000 0.542 633 G N 0.005 108.863 108.800 0.097 0.000 2.418 633 G HA2 -0.277 3.684 3.960 0.000 0.000 0.217 633 G HA3 -0.277 3.684 3.960 0.000 0.000 0.217 633 G C 1.608 176.526 174.900 0.030 0.000 1.158 633 G CA 1.168 46.302 45.100 0.058 0.000 0.771 633 G HN 0.432 nan 8.290 nan 0.000 0.545 634 Y N 1.352 121.547 120.300 -0.176 0.000 2.097 634 Y HA -0.158 4.392 4.550 0.000 0.000 0.282 634 Y C 2.828 178.618 175.900 -0.183 0.000 1.152 634 Y CA 1.870 59.802 58.100 -0.280 0.000 1.136 634 Y CB -0.539 37.579 38.460 -0.569 0.000 0.975 634 Y HN 0.029 nan 8.280 nan 0.000 0.498 635 V N -0.222 119.581 119.914 -0.186 0.000 2.343 635 V HA -0.332 3.788 4.120 0.000 0.000 0.247 635 V C 2.314 178.298 176.094 -0.185 0.000 1.051 635 V CA 2.417 64.603 62.300 -0.189 0.000 1.036 635 V CB -1.205 30.660 31.823 0.070 0.000 0.654 635 V HN 0.513 nan 8.190 nan 0.000 0.451 636 T N -0.098 114.399 114.554 -0.095 0.000 2.684 636 T HA -0.191 4.160 4.350 0.000 0.000 0.267 636 T C 2.132 176.754 174.700 -0.131 0.000 1.036 636 T CA 1.974 64.022 62.100 -0.086 0.000 1.148 636 T CB -0.282 68.617 68.868 0.052 0.000 0.863 636 T HN 0.531 nan 8.240 nan 0.000 0.436 637 S N 1.092 116.743 115.700 -0.082 0.000 2.382 637 S HA -0.018 4.452 4.470 0.000 0.000 0.228 637 S C 2.101 176.585 174.600 -0.194 0.000 1.027 637 S CA 0.913 59.078 58.200 -0.059 0.000 0.991 637 S CB -0.261 62.950 63.200 0.019 0.000 0.823 637 S HN 0.321 nan 8.310 nan 0.000 0.469 638 M N 0.840 120.239 119.600 -0.336 0.000 2.175 638 M HA 0.007 4.487 4.480 0.000 0.000 0.264 638 M C 2.192 178.323 176.300 -0.281 0.000 1.063 638 M CA 0.988 56.080 55.300 -0.347 0.000 1.119 638 M CB -1.350 30.945 32.600 -0.507 0.000 1.377 638 M HN 0.179 nan 8.290 nan 0.000 0.415 639 V N 0.687 120.427 119.914 -0.291 0.000 2.270 639 V HA -0.241 3.879 4.120 0.000 0.000 0.245 639 V C 2.533 178.425 176.094 -0.338 0.000 1.043 639 V CA 1.397 63.525 62.300 -0.287 0.000 1.014 639 V CB -0.735 30.846 31.823 -0.404 0.000 0.645 639 V HN 0.391 nan 8.190 nan 0.000 0.447 640 L N 0.545 121.497 121.223 -0.452 0.000 2.127 640 L HA -0.112 4.228 4.340 0.000 0.000 0.211 640 L C 2.070 178.430 176.870 -0.850 0.000 1.089 640 L CA 1.594 56.074 54.840 -0.600 0.000 0.757 640 L CB -0.702 40.922 42.059 -0.726 0.000 0.899 640 L HN 0.514 nan 8.230 nan 0.000 0.434 641 G N -1.675 106.637 108.800 -0.813 0.000 3.523 641 G HA2 0.059 4.019 3.960 0.000 0.000 0.270 641 G HA3 0.059 4.019 3.960 0.000 0.000 0.270 641 G C 1.217 175.974 174.900 -0.238 0.000 1.134 641 G CA 0.504 45.252 45.100 -0.586 0.000 0.825 641 G HN 0.409 nan 8.290 nan 0.000 0.534 642 S N -1.325 114.247 115.700 -0.213 0.000 2.503 642 S HA 0.346 4.816 4.470 0.000 0.000 0.215 642 S C 1.839 176.397 174.600 -0.070 0.000 1.003 642 S CA 0.912 59.046 58.200 -0.110 0.000 0.910 642 S CB 0.182 63.331 63.200 -0.086 0.000 0.790 642 S HN 1.324 nan 8.310 nan 0.000 0.514 643 G N 0.655 109.405 108.800 -0.083 0.000 2.143 643 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 643 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 643 G C 1.012 175.903 174.900 -0.016 0.000 0.991 643 G CA 0.699 45.773 45.100 -0.044 0.000 0.689 643 G HN 1.062 nan 8.290 nan 0.000 0.522 644 S N -0.292 115.411 115.700 0.004 0.000 2.383 644 S HA 0.354 4.824 4.470 0.000 0.000 0.229 644 S C 3.137 177.749 174.600 0.019 0.000 1.030 644 S CA 2.385 60.604 58.200 0.032 0.000 1.002 644 S CB -0.421 62.843 63.200 0.106 0.000 0.829 644 S HN 2.495 nan 8.310 nan 0.000 0.467 645 G N -0.830 107.989 108.800 0.032 0.000 2.184 645 G HA2 -0.254 3.706 3.960 0.000 0.000 0.264 645 G HA3 -0.254 3.706 3.960 0.000 0.000 0.264 645 G C 1.046 175.938 174.900 -0.012 0.000 0.975 645 G CA 0.793 45.900 45.100 0.013 0.000 0.642 645 G HN 0.857 nan 8.290 nan 0.000 0.536 646 V N -0.514 119.382 119.914 -0.030 0.000 2.488 646 V HA 0.264 4.384 4.120 0.000 0.000 0.246 646 V C 1.187 177.060 176.094 -0.367 0.000 1.046 646 V CA 1.440 63.591 62.300 -0.247 0.000 1.053 646 V CB -0.338 31.229 31.823 -0.428 0.000 0.679 646 V HN 0.299 nan 8.190 nan 0.000 0.458 647 F N 0.153 120.116 119.950 0.022 0.000 2.420 647 F HA 0.399 4.926 4.527 0.000 0.000 0.342 647 F C 1.110 176.946 175.800 0.060 0.000 1.113 647 F CA -0.640 57.397 58.000 0.062 0.000 1.059 647 F CB 1.266 40.305 39.000 0.065 0.000 1.128 647 F HN -0.223 nan 8.300 nan 0.000 0.475 648 K N 1.814 122.355 120.400 0.234 0.000 2.044 648 K HA 0.029 4.350 4.320 0.000 0.000 0.204 648 K C 0.152 176.856 176.600 0.174 0.000 1.049 648 K CA 1.177 57.564 56.287 0.167 0.000 0.945 648 K CB 0.189 32.784 32.500 0.158 0.000 0.724 648 K HN 0.825 nan 8.250 nan 0.000 0.440 649 c N -2.868 115.864 118.600 0.219 0.000 3.318 649 c HA 0.936 5.506 4.570 0.000 0.000 0.329 649 c C -0.126 174.170 174.090 0.343 0.000 1.449 649 c CA -0.510 55.975 56.329 0.261 0.000 1.397 649 c CB 1.069 43.650 42.510 0.117 0.000 1.810 649 c HN 0.398 nan 8.230 nan 0.000 0.449 650 G N -0.221 108.861 108.800 0.470 0.000 2.616 650 G HA2 0.635 4.595 3.960 0.000 0.000 0.294 650 G HA3 0.635 4.595 3.960 0.000 0.000 0.294 650 G C -1.992 173.145 174.900 0.396 0.000 1.489 650 G CA -0.628 44.718 45.100 0.410 0.000 0.836 650 G HN 0.959 nan 8.290 nan 0.000 0.527 651 I N 0.875 121.652 120.570 0.345 0.000 2.436 651 I HA 0.631 4.801 4.170 0.000 0.000 0.289 651 I C 0.205 176.465 176.117 0.239 0.000 1.010 651 I CA -0.987 60.415 61.300 0.169 0.000 1.098 651 I CB 2.220 40.311 38.000 0.151 0.000 1.266 651 I HN 0.671 nan 8.210 nan 0.000 0.434 652 A N 6.577 129.440 122.820 0.072 0.000 2.291 652 A HA 0.763 5.083 4.320 0.000 0.000 0.311 652 A C -0.768 176.759 177.584 -0.094 0.000 1.224 652 A CA -0.501 51.580 52.037 0.074 0.000 0.821 652 A CB 1.110 20.221 19.000 0.184 0.000 1.172 652 A HN 0.441 nan 8.150 nan 0.000 0.494 653 V N 2.128 121.942 119.914 -0.167 0.000 2.398 653 V HA 0.571 4.691 4.120 0.000 0.000 0.286 653 V C 0.975 176.705 176.094 -0.605 0.000 1.026 653 V CA 0.309 62.301 62.300 -0.513 0.000 0.868 653 V CB 0.878 32.124 31.823 -0.962 0.000 0.982 653 V HN 2.076 nan 8.190 nan 0.000 0.443 654 A N 5.609 128.039 122.820 -0.649 0.000 2.511 654 A HA -0.108 4.212 4.320 0.000 0.000 0.297 654 A C -1.741 175.695 177.584 -0.246 0.000 1.476 654 A CA 0.508 52.060 52.037 -0.808 0.000 0.757 654 A CB -1.551 17.083 19.000 -0.611 0.000 1.072 654 A HN 0.619 nan 8.150 nan 0.000 0.413 655 P HA 0.459 nan 4.420 nan 0.000 0.279 655 P C -0.012 177.262 177.300 -0.043 0.000 1.252 655 P CA -0.316 62.768 63.100 -0.027 0.000 0.811 655 P CB 1.440 33.143 31.700 0.006 0.000 1.035 656 V N 1.935 121.736 119.914 -0.188 0.000 2.509 656 V HA 0.108 4.228 4.120 0.000 0.000 0.284 656 V C 1.657 177.584 176.094 -0.278 0.000 1.047 656 V CA 0.593 62.650 62.300 -0.405 0.000 0.952 656 V CB 0.971 32.173 31.823 -1.036 0.000 0.988 656 V HN 0.797 nan 8.190 nan 0.000 0.469 657 S N 4.318 119.887 115.700 -0.218 0.000 2.545 657 S HA 0.214 4.684 4.470 0.000 0.000 0.232 657 S C 0.535 174.977 174.600 -0.263 0.000 1.070 657 S CA -0.371 57.751 58.200 -0.129 0.000 0.923 657 S CB 0.248 63.430 63.200 -0.029 0.000 0.806 657 S HN 0.813 nan 8.310 nan 0.000 0.506 658 R N -1.096 119.143 120.500 -0.434 0.000 2.548 658 R HA 0.473 4.813 4.340 0.000 0.000 0.280 658 R C -0.847 175.155 176.300 -0.498 0.000 1.061 658 R CA -0.898 54.880 56.100 -0.536 0.000 0.915 658 R CB 0.004 29.929 30.300 -0.625 0.000 1.210 658 R HN 0.153 nan 8.270 nan 0.000 0.442 659 W N 1.591 122.816 121.300 -0.124 0.000 2.364 659 W HA -0.089 4.571 4.660 0.000 0.000 0.281 659 W C 1.108 177.747 176.519 0.201 0.000 1.219 659 W CA 0.937 58.301 57.345 0.031 0.000 1.220 659 W CB 0.162 29.593 29.460 -0.047 0.000 1.127 659 W HN 0.714 nan 8.180 nan 0.000 0.556 660 E N -0.915 119.445 120.200 0.266 0.000 2.401 660 E HA -0.196 4.154 4.350 0.000 0.000 0.199 660 E C 1.239 177.975 176.600 0.227 0.000 1.023 660 E CA 0.766 57.264 56.400 0.163 0.000 0.859 660 E CB -0.239 29.445 29.700 -0.027 0.000 0.780 660 E HN 0.409 nan 8.360 nan 0.000 0.523 661 Y N -1.449 118.952 120.300 0.168 0.000 2.510 661 Y HA 0.056 4.607 4.550 0.000 0.000 0.273 661 Y C 0.793 176.819 175.900 0.209 0.000 1.119 661 Y CA -0.343 57.834 58.100 0.129 0.000 1.286 661 Y CB -0.384 38.100 38.460 0.041 0.000 1.061 661 Y HN 0.006 nan 8.280 nan 0.000 0.542 662 Y N 2.230 122.703 120.300 0.288 0.000 2.295 662 Y HA 0.242 4.792 4.550 0.000 0.000 0.331 662 Y C 0.442 176.551 175.900 0.349 0.000 1.311 662 Y CA -1.946 56.326 58.100 0.287 0.000 1.430 662 Y CB 0.250 38.928 38.460 0.363 0.000 1.339 662 Y HN 0.206 nan 8.280 nan 0.000 0.552 663 D N -0.502 119.569 120.400 -0.548 0.000 2.400 663 D HA 0.051 4.691 4.640 0.000 0.000 0.238 663 D C 0.964 177.220 176.300 -0.072 0.000 1.157 663 D CA 0.453 54.224 54.000 -0.382 0.000 0.889 663 D CB 0.743 41.114 40.800 -0.715 0.000 1.199 663 D HN 0.469 nan 8.370 nan 0.000 0.436 664 S N 1.237 116.917 115.700 -0.033 0.000 2.348 664 S HA -0.222 4.248 4.470 0.000 0.000 0.221 664 S C 1.968 176.583 174.600 0.026 0.000 1.033 664 S CA 1.160 59.393 58.200 0.055 0.000 1.010 664 S CB -1.049 62.197 63.200 0.078 0.000 0.891 664 S HN 0.431 nan 8.310 nan 0.000 0.442 665 V N 0.953 120.814 119.914 -0.087 0.000 2.282 665 V HA -0.215 3.905 4.120 0.000 0.000 0.249 665 V C 2.325 178.323 176.094 -0.161 0.000 1.057 665 V CA 2.410 64.570 62.300 -0.234 0.000 1.032 665 V CB -1.108 30.432 31.823 -0.473 0.000 0.645 665 V HN 0.617 nan 8.190 nan 0.000 0.447 666 Y N 1.211 121.437 120.300 -0.123 0.000 2.130 666 Y HA -0.184 4.366 4.550 0.000 0.000 0.287 666 Y C 2.742 178.633 175.900 -0.014 0.000 1.124 666 Y CA 2.201 60.305 58.100 0.007 0.000 1.118 666 Y CB -0.757 37.890 38.460 0.311 0.000 0.994 666 Y HN 0.216 nan 8.280 nan 0.000 0.497 667 T N 0.465 115.288 114.554 0.447 0.000 2.635 667 T HA -0.239 4.112 4.350 0.000 0.000 0.267 667 T C 1.649 176.336 174.700 -0.021 0.000 1.040 667 T CA 2.059 64.325 62.100 0.276 0.000 1.156 667 T CB -0.400 68.742 68.868 0.456 0.000 0.863 667 T HN 0.414 nan 8.240 nan 0.000 0.430 668 E N 0.469 120.680 120.200 0.018 0.000 2.118 668 E HA -0.145 4.205 4.350 0.000 0.000 0.195 668 E C 2.392 178.865 176.600 -0.211 0.000 0.992 668 E CA 0.654 57.047 56.400 -0.011 0.000 0.804 668 E CB -0.150 29.585 29.700 0.058 0.000 0.741 668 E HN 0.326 nan 8.360 nan 0.000 0.458 669 R N 0.006 120.230 120.500 -0.460 0.000 2.119 669 R HA -0.227 4.113 4.340 0.000 0.000 0.246 669 R C 1.362 177.103 176.300 -0.933 0.000 1.146 669 R CA 1.855 57.477 56.100 -0.797 0.000 0.962 669 R CB -0.079 29.410 30.300 -1.352 0.000 0.863 669 R HN 0.283 nan 8.270 nan 0.000 0.442 670 Y N -2.170 117.803 120.300 -0.546 0.000 2.524 670 Y HA 0.204 4.754 4.550 0.000 0.000 0.270 670 Y C 1.846 177.544 175.900 -0.337 0.000 1.094 670 Y CA -0.009 57.767 58.100 -0.539 0.000 1.276 670 Y CB 0.319 38.343 38.460 -0.728 0.000 1.130 670 Y HN -0.055 nan 8.280 nan 0.000 0.536 671 M N -0.264 119.206 119.600 -0.217 0.000 2.382 671 M HA 0.361 4.841 4.480 0.000 0.000 0.247 671 M C 1.092 177.383 176.300 -0.015 0.000 1.104 671 M CA 0.834 55.994 55.300 -0.234 0.000 1.030 671 M CB -0.461 31.780 32.600 -0.598 0.000 1.424 671 M HN 0.361 nan 8.290 nan 0.000 0.486 672 G N 1.725 110.545 108.800 0.033 0.000 2.645 672 G HA2 -0.207 3.753 3.960 0.000 0.000 0.239 672 G HA3 -0.207 3.753 3.960 0.000 0.000 0.239 672 G C -0.869 174.173 174.900 0.237 0.000 1.331 672 G CA -0.836 44.330 45.100 0.111 0.000 0.890 672 G HN 0.246 nan 8.290 nan 0.000 0.572 673 L N 2.414 123.745 121.223 0.180 0.000 2.325 673 L HA 0.520 4.860 4.340 0.000 0.000 0.279 673 L C -1.271 175.611 176.870 0.021 0.000 1.054 673 L CA -1.684 53.218 54.840 0.104 0.000 0.804 673 L CB 1.405 43.484 42.059 0.035 0.000 1.200 673 L HN 0.438 nan 8.230 nan 0.000 0.436 674 P HA 0.068 nan 4.420 nan 0.000 0.228 674 P C -0.592 176.561 177.300 -0.245 0.000 1.748 674 P CA -0.139 62.555 63.100 -0.676 0.000 0.909 674 P CB -0.497 30.562 31.700 -1.068 0.000 1.882 675 T N -2.996 111.504 114.554 -0.090 0.000 2.912 675 T HA 0.450 4.800 4.350 0.000 0.000 0.288 675 T C -1.933 172.767 174.700 0.000 0.000 1.030 675 T CA -2.431 59.645 62.100 -0.041 0.000 1.020 675 T CB 2.108 70.963 68.868 -0.021 0.000 1.056 675 T HN -0.204 nan 8.240 nan 0.000 0.480 676 P HA -0.080 nan 4.420 nan 0.000 0.218 676 P C 0.810 178.125 177.300 0.026 0.000 1.149 676 P CA 1.174 64.286 63.100 0.019 0.000 0.817 676 P CB 0.160 31.867 31.700 0.012 0.000 0.785 677 E N -0.583 119.627 120.200 0.018 0.000 2.268 677 E HA -0.117 4.233 4.350 0.000 0.000 0.195 677 E C 1.582 178.200 176.600 0.030 0.000 0.995 677 E CA 0.969 57.381 56.400 0.019 0.000 0.836 677 E CB -0.421 29.285 29.700 0.011 0.000 0.763 677 E HN 0.346 nan 8.360 nan 0.000 0.491 678 D N -0.508 119.917 120.400 0.041 0.000 2.910 678 D HA 0.089 4.729 4.640 0.000 0.000 0.241 678 D C 0.248 176.607 176.300 0.097 0.000 1.346 678 D CA 0.088 54.125 54.000 0.061 0.000 1.227 678 D CB -0.064 40.774 40.800 0.064 0.000 0.926 678 D HN -0.011 nan 8.370 nan 0.000 0.212 679 N N 0.044 118.839 118.700 0.157 0.000 2.351 679 N HA 0.057 4.798 4.740 0.000 0.000 0.254 679 N C 1.159 176.888 175.510 0.366 0.000 1.241 679 N CA -0.137 53.059 53.050 0.244 0.000 0.883 679 N CB 0.745 39.395 38.487 0.272 0.000 1.202 679 N HN 0.019 nan 8.380 nan 0.000 0.512 680 L N 1.020 122.363 121.223 0.201 0.000 2.042 680 L HA -0.144 4.196 4.340 0.000 0.000 0.210 680 L C 1.465 178.447 176.870 0.185 0.000 1.076 680 L CA 1.980 56.906 54.840 0.143 0.000 0.749 680 L CB -0.447 41.628 42.059 0.026 0.000 0.893 680 L HN 0.149 nan 8.230 nan 0.000 0.432 681 D N -1.172 119.318 120.400 0.150 0.000 2.103 681 D HA -0.281 4.359 4.640 0.000 0.000 0.190 681 D C 2.124 178.514 176.300 0.149 0.000 0.997 681 D CA 1.940 56.015 54.000 0.125 0.000 0.833 681 D CB -0.299 40.565 40.800 0.106 0.000 0.961 681 D HN 0.592 nan 8.370 nan 0.000 0.447 682 H N -0.993 118.141 119.070 0.107 0.000 2.457 682 H HA -0.087 4.469 4.556 0.000 0.000 0.294 682 H C 1.749 177.140 175.328 0.106 0.000 1.064 682 H CA 1.216 57.306 56.048 0.070 0.000 1.330 682 H CB -0.292 29.477 29.762 0.011 0.000 1.395 682 H HN 0.179 nan 8.280 nan 0.000 0.541 683 Y N 0.176 120.459 120.300 -0.029 0.000 2.181 683 Y HA -0.160 4.390 4.550 0.000 0.000 0.288 683 Y C 2.400 178.253 175.900 -0.078 0.000 1.146 683 Y CA 1.416 59.503 58.100 -0.022 0.000 1.164 683 Y CB 0.128 38.612 38.460 0.040 0.000 0.982 683 Y HN 0.126 nan 8.280 nan 0.000 0.515 684 R N -0.103 120.460 120.500 0.105 0.000 2.115 684 R HA -0.063 4.277 4.340 0.000 0.000 0.226 684 R C 1.321 177.603 176.300 -0.030 0.000 1.100 684 R CA 1.141 57.255 56.100 0.023 0.000 0.980 684 R CB -0.904 29.413 30.300 0.028 0.000 0.875 684 R HN 0.396 nan 8.270 nan 0.000 0.445 685 N N 0.158 118.821 118.700 -0.062 0.000 2.467 685 N HA -0.070 4.670 4.740 0.000 0.000 0.184 685 N C 0.577 176.017 175.510 -0.116 0.000 1.106 685 N CA 0.713 53.722 53.050 -0.067 0.000 0.892 685 N CB 0.266 38.745 38.487 -0.013 0.000 0.969 685 N HN 0.127 nan 8.380 nan 0.000 0.454 686 S N -1.080 114.501 115.700 -0.198 0.000 2.588 686 S HA 0.131 4.601 4.470 0.000 0.000 0.245 686 S C 0.447 175.059 174.600 0.021 0.000 1.021 686 S CA -0.774 57.367 58.200 -0.099 0.000 1.006 686 S CB -0.707 62.375 63.200 -0.196 0.000 0.830 686 S HN 0.187 nan 8.310 nan 0.000 0.468 687 T N -1.751 112.778 114.554 -0.042 0.000 2.918 687 T HA 0.530 4.880 4.350 0.000 0.000 0.283 687 T C 1.267 175.929 174.700 -0.064 0.000 1.001 687 T CA -0.618 61.442 62.100 -0.066 0.000 1.041 687 T CB 1.327 70.130 68.868 -0.109 0.000 1.028 687 T HN -0.035 nan 8.240 nan 0.000 0.511 688 V N 1.994 121.860 119.914 -0.081 0.000 2.407 688 V HA -0.123 3.997 4.120 0.000 0.000 0.245 688 V C 2.739 178.766 176.094 -0.112 0.000 1.041 688 V CA 1.500 63.739 62.300 -0.103 0.000 1.040 688 V CB -0.814 30.940 31.823 -0.115 0.000 0.671 688 V HN 0.866 nan 8.190 nan 0.000 0.455 689 M N 1.267 120.792 119.600 -0.125 0.000 2.202 689 M HA -0.138 4.342 4.480 0.000 0.000 0.262 689 M C 2.372 178.618 176.300 -0.090 0.000 1.063 689 M CA 2.262 57.482 55.300 -0.133 0.000 1.097 689 M CB -2.122 30.418 32.600 -0.100 0.000 1.382 689 M HN 0.570 nan 8.290 nan 0.000 0.413 690 S N 0.674 116.336 115.700 -0.063 0.000 2.469 690 S HA -0.086 4.384 4.470 0.000 0.000 0.238 690 S C 1.823 176.412 174.600 -0.018 0.000 0.998 690 S CA 0.762 58.939 58.200 -0.038 0.000 0.957 690 S CB -0.495 62.684 63.200 -0.035 0.000 0.764 690 S HN 0.631 nan 8.310 nan 0.000 0.514 691 R N 0.366 120.864 120.500 -0.002 0.000 2.393 691 R HA 0.468 4.808 4.340 0.000 0.000 0.244 691 R C 2.247 178.636 176.300 0.150 0.000 0.920 691 R CA 0.406 56.544 56.100 0.063 0.000 1.076 691 R CB -0.256 30.093 30.300 0.080 0.000 1.119 691 R HN 0.462 nan 8.270 nan 0.000 0.524 692 A N 1.864 124.693 122.820 0.015 0.000 1.894 692 A HA -0.347 3.973 4.320 0.000 0.000 0.220 692 A C 2.041 179.686 177.584 0.102 0.000 1.237 692 A CA 2.237 54.241 52.037 -0.054 0.000 0.660 692 A CB -0.493 18.431 19.000 -0.126 0.000 0.835 692 A HN 0.346 nan 8.150 nan 0.000 0.461 693 E N 0.451 120.692 120.200 0.068 0.000 2.187 693 E HA -0.226 4.124 4.350 0.000 0.000 0.199 693 E C 1.590 178.251 176.600 0.100 0.000 1.004 693 E CA 2.079 58.523 56.400 0.073 0.000 0.813 693 E CB -0.669 29.056 29.700 0.042 0.000 0.736 693 E HN 0.800 nan 8.360 nan 0.000 0.468 694 N N -1.337 117.431 118.700 0.113 0.000 2.512 694 N HA -0.071 4.669 4.740 0.000 0.000 0.183 694 N C 0.614 176.134 175.510 0.017 0.000 1.073 694 N CA 0.253 53.328 53.050 0.042 0.000 0.911 694 N CB -0.110 38.361 38.487 -0.028 0.000 0.964 694 N HN 0.151 nan 8.380 nan 0.000 0.447 695 F N 1.485 121.390 119.950 -0.074 0.000 2.699 695 F HA 0.056 4.584 4.527 0.000 0.000 0.298 695 F C 1.859 177.664 175.800 0.008 0.000 1.154 695 F CA 0.581 58.535 58.000 -0.076 0.000 1.457 695 F CB 0.028 38.941 39.000 -0.144 0.000 1.106 695 F HN -0.093 nan 8.300 nan 0.000 0.585 696 K N -0.333 120.166 120.400 0.164 0.000 2.209 696 K HA -0.146 4.174 4.320 0.000 0.000 0.204 696 K C 1.602 178.259 176.600 0.095 0.000 1.048 696 K CA 0.806 57.170 56.287 0.128 0.000 0.940 696 K CB -0.089 32.468 32.500 0.093 0.000 0.729 696 K HN 0.208 nan 8.250 nan 0.000 0.451 697 Q N 0.284 120.119 119.800 0.057 0.000 2.403 697 Q HA 0.023 4.363 4.340 0.000 0.000 0.203 697 Q C 0.685 176.715 176.000 0.050 0.000 0.932 697 Q CA 0.329 56.157 55.803 0.041 0.000 0.945 697 Q CB 0.278 29.024 28.738 0.013 0.000 1.045 697 Q HN 0.224 nan 8.270 nan 0.000 0.511 698 V N -3.497 116.459 119.914 0.070 0.000 3.167 698 V HA 0.524 4.644 4.120 0.000 0.000 0.310 698 V C -0.936 175.278 176.094 0.201 0.000 1.207 698 V CA -1.243 61.119 62.300 0.103 0.000 1.059 698 V CB 2.435 34.279 31.823 0.035 0.000 1.079 698 V HN -0.069 nan 8.190 nan 0.000 0.446 699 E N 1.393 121.744 120.200 0.252 0.000 2.081 699 E HA 0.398 4.748 4.350 0.000 0.000 0.276 699 E C -1.906 175.046 176.600 0.587 0.000 0.950 699 E CA -0.363 56.261 56.400 0.374 0.000 0.776 699 E CB 1.613 31.468 29.700 0.259 0.000 1.094 699 E HN 0.660 nan 8.360 nan 0.000 0.402 700 Y N 3.558 124.099 120.300 0.402 0.000 2.387 700 Y HA 0.450 5.000 4.550 0.000 0.000 0.336 700 Y C -1.256 174.739 175.900 0.159 0.000 1.067 700 Y CA -1.205 57.087 58.100 0.319 0.000 1.114 700 Y CB 0.917 39.612 38.460 0.391 0.000 1.208 700 Y HN 0.410 nan 8.280 nan 0.000 0.458 701 L N 7.767 128.727 121.223 -0.439 0.000 2.376 701 L HA 0.494 4.834 4.340 0.000 0.000 0.275 701 L C -1.793 174.616 176.870 -0.768 0.000 0.987 701 L CA -0.801 53.639 54.840 -0.667 0.000 0.828 701 L CB 1.386 42.777 42.059 -1.114 0.000 1.249 701 L HN 0.656 nan 8.230 nan 0.000 0.409 702 L N 6.250 127.136 121.223 -0.562 0.000 2.313 702 L HA 0.605 4.945 4.340 0.000 0.000 0.283 702 L C -0.900 175.865 176.870 -0.176 0.000 1.013 702 L CA -0.513 54.057 54.840 -0.450 0.000 0.816 702 L CB 1.787 43.627 42.059 -0.366 0.000 1.236 702 L HN 0.594 nan 8.230 nan 0.000 0.419 703 I N 3.584 124.068 120.570 -0.144 0.000 2.647 703 I HA 0.513 4.683 4.170 0.000 0.000 0.295 703 I C -1.020 175.116 176.117 0.033 0.000 1.078 703 I CA -0.795 60.479 61.300 -0.043 0.000 1.048 703 I CB 2.216 40.152 38.000 -0.106 0.000 1.239 703 I HN 0.522 nan 8.210 nan 0.000 0.421 704 H N 2.522 121.670 119.070 0.130 0.000 3.123 704 H HA 0.348 4.904 4.556 0.000 0.000 0.346 704 H C -0.882 174.695 175.328 0.415 0.000 1.138 704 H CA -0.558 55.620 56.048 0.216 0.000 1.273 704 H CB 2.401 32.260 29.762 0.161 0.000 1.926 704 H HN 0.781 nan 8.280 nan 0.000 0.524 705 G N 1.262 110.423 108.800 0.601 0.000 2.370 705 G HA2 0.239 4.199 3.960 0.000 0.000 0.272 705 G HA3 0.239 4.199 3.960 0.000 0.000 0.272 705 G C 1.154 176.310 174.900 0.427 0.000 1.208 705 G CA 0.231 45.615 45.100 0.473 0.000 0.856 705 G HN 0.655 nan 8.290 nan 0.000 0.500 706 T N -0.409 114.222 114.554 0.127 0.000 2.915 706 T HA 0.030 4.380 4.350 0.000 0.000 0.269 706 T C 1.739 176.421 174.700 -0.030 0.000 1.071 706 T CA 1.317 63.296 62.100 -0.203 0.000 1.132 706 T CB 0.109 68.798 68.868 -0.297 0.000 0.878 706 T HN 0.693 nan 8.240 nan 0.000 0.479 707 A N 1.137 124.026 122.820 0.116 0.000 2.684 707 A HA 0.309 4.629 4.320 0.000 0.000 0.288 707 A C 0.353 177.892 177.584 -0.074 0.000 1.337 707 A CA -0.517 51.570 52.037 0.083 0.000 0.946 707 A CB -0.390 18.935 19.000 0.541 0.000 1.093 707 A HN 0.377 nan 8.150 nan 0.000 0.543 708 D N 1.441 121.815 120.400 -0.044 0.000 2.338 708 D HA 0.012 4.652 4.640 0.000 0.000 0.255 708 D C 0.357 176.599 176.300 -0.097 0.000 1.237 708 D CA 0.052 54.121 54.000 0.116 0.000 0.883 708 D CB 0.722 41.772 40.800 0.417 0.000 1.087 708 D HN 0.569 nan 8.370 nan 0.000 0.485 709 D N 2.108 122.485 120.400 -0.040 0.000 2.348 709 D HA -0.098 4.543 4.640 0.000 0.000 0.211 709 D C 0.967 177.159 176.300 -0.180 0.000 0.998 709 D CA 0.099 54.007 54.000 -0.153 0.000 0.873 709 D CB 0.319 40.961 40.800 -0.262 0.000 0.925 709 D HN 0.436 nan 8.370 nan 0.000 0.524 710 N N 0.082 118.797 118.700 0.024 0.000 2.349 710 N HA -0.025 4.715 4.740 0.000 0.000 0.202 710 N C -0.204 175.244 175.510 -0.103 0.000 1.041 710 N CA 0.111 53.207 53.050 0.076 0.000 0.970 710 N CB 0.718 39.234 38.487 0.049 0.000 1.173 710 N HN -0.186 nan 8.380 nan 0.000 0.493 711 V N 2.476 122.356 119.914 -0.057 0.000 2.304 711 V HA 0.177 4.297 4.120 0.000 0.000 0.262 711 V C -0.845 175.347 176.094 0.163 0.000 1.061 711 V CA -0.266 62.062 62.300 0.047 0.000 0.872 711 V CB -0.249 31.636 31.823 0.102 0.000 1.077 711 V HN 0.353 nan 8.190 nan 0.000 0.480 712 H N 3.306 122.386 119.070 0.017 0.000 3.038 712 H HA -0.084 4.473 4.556 0.000 0.000 0.338 712 H C 0.837 176.040 175.328 -0.209 0.000 1.041 712 H CA 0.099 56.068 56.048 -0.132 0.000 1.394 712 H CB 0.660 30.253 29.762 -0.282 0.000 1.357 712 H HN 0.639 nan 8.280 nan 0.000 0.600 713 F N 2.327 122.085 119.950 -0.321 0.000 2.192 713 F HA -0.295 4.232 4.527 0.000 0.000 0.301 713 F C 2.567 178.067 175.800 -0.500 0.000 1.079 713 F CA 1.798 59.361 58.000 -0.729 0.000 1.303 713 F CB -0.222 38.553 39.000 -0.375 0.000 1.024 713 F HN 0.669 nan 8.300 nan 0.000 0.494 714 Q N 0.176 119.809 119.800 -0.277 0.000 2.173 714 Q HA -0.301 4.039 4.340 0.000 0.000 0.208 714 Q C 1.983 177.724 176.000 -0.433 0.000 0.989 714 Q CA 2.170 57.764 55.803 -0.348 0.000 0.872 714 Q CB -0.368 28.152 28.738 -0.363 0.000 0.909 714 Q HN 0.606 nan 8.270 nan 0.000 0.420 715 Q N -0.300 119.298 119.800 -0.337 0.000 2.084 715 Q HA -0.096 4.245 4.340 0.000 0.000 0.202 715 Q C 2.203 178.092 176.000 -0.184 0.000 0.978 715 Q CA 1.644 57.364 55.803 -0.138 0.000 0.844 715 Q CB -0.004 28.750 28.738 0.026 0.000 0.898 715 Q HN 0.328 nan 8.270 nan 0.000 0.426 716 S N 0.529 116.010 115.700 -0.365 0.000 2.436 716 S HA 0.028 4.498 4.470 0.000 0.000 0.228 716 S C 1.967 176.305 174.600 -0.438 0.000 1.014 716 S CA 0.624 58.615 58.200 -0.347 0.000 0.950 716 S CB 0.014 63.016 63.200 -0.330 0.000 0.784 716 S HN 0.439 nan 8.310 nan 0.000 0.504 717 A N 1.255 123.718 122.820 -0.596 0.000 1.930 717 A HA -0.093 4.227 4.320 0.000 0.000 0.217 717 A C 2.084 179.543 177.584 -0.210 0.000 1.175 717 A CA 1.038 52.842 52.037 -0.388 0.000 0.627 717 A CB -0.348 18.459 19.000 -0.322 0.000 0.815 717 A HN 0.328 nan 8.150 nan 0.000 0.443 718 Q N -0.502 119.185 119.800 -0.188 0.000 2.311 718 Q HA 0.052 4.392 4.340 0.000 0.000 0.203 718 Q C 1.985 177.919 176.000 -0.110 0.000 0.954 718 Q CA 0.797 56.548 55.803 -0.087 0.000 0.885 718 Q CB -0.193 28.570 28.738 0.042 0.000 0.963 718 Q HN 0.789 nan 8.270 nan 0.000 0.471 719 I N 0.648 121.119 120.570 -0.164 0.000 2.333 719 I HA -0.212 3.958 4.170 0.000 0.000 0.246 719 I C 2.414 178.344 176.117 -0.312 0.000 1.106 719 I CA 1.144 62.303 61.300 -0.235 0.000 1.411 719 I CB -0.331 37.533 38.000 -0.227 0.000 1.082 719 I HN 0.146 nan 8.210 nan 0.000 0.420 720 S N 1.114 116.656 115.700 -0.265 0.000 2.356 720 S HA -0.271 4.199 4.470 0.000 0.000 0.223 720 S C 2.033 176.596 174.600 -0.060 0.000 1.032 720 S CA 1.365 59.445 58.200 -0.201 0.000 1.005 720 S CB -0.486 62.763 63.200 0.083 0.000 0.867 720 S HN 0.335 nan 8.310 nan 0.000 0.449 721 K N 1.742 122.109 120.400 -0.056 0.000 2.103 721 K HA 0.017 4.337 4.320 0.000 0.000 0.207 721 K C 2.186 178.760 176.600 -0.042 0.000 1.048 721 K CA 1.176 57.449 56.287 -0.024 0.000 0.930 721 K CB -0.598 31.883 32.500 -0.032 0.000 0.716 721 K HN 0.477 nan 8.250 nan 0.000 0.444 722 A N 0.605 123.368 122.820 -0.096 0.000 1.968 722 A HA -0.014 4.306 4.320 0.000 0.000 0.217 722 A C 1.992 179.505 177.584 -0.118 0.000 1.169 722 A CA 0.857 52.832 52.037 -0.104 0.000 0.638 722 A CB -0.359 18.559 19.000 -0.137 0.000 0.812 722 A HN 0.281 nan 8.150 nan 0.000 0.446 723 L N -0.626 120.490 121.223 -0.178 0.000 2.072 723 L HA -0.116 4.224 4.340 0.000 0.000 0.205 723 L C 2.485 179.376 176.870 0.036 0.000 1.079 723 L CA 0.849 55.602 54.840 -0.146 0.000 0.752 723 L CB -0.604 41.255 42.059 -0.333 0.000 0.906 723 L HN 0.219 nan 8.230 nan 0.000 0.436 724 V N -0.056 119.912 119.914 0.091 0.000 2.287 724 V HA -0.302 3.818 4.120 0.000 0.000 0.248 724 V C 1.995 178.122 176.094 0.055 0.000 1.053 724 V CA 1.973 64.340 62.300 0.113 0.000 1.027 724 V CB -0.566 31.321 31.823 0.108 0.000 0.646 724 V HN 0.423 nan 8.190 nan 0.000 0.447 725 D N -0.189 120.226 120.400 0.024 0.000 2.263 725 D HA -0.096 4.544 4.640 0.000 0.000 0.208 725 D C 1.705 178.014 176.300 0.014 0.000 0.971 725 D CA 0.963 54.971 54.000 0.013 0.000 0.867 725 D CB -0.010 40.788 40.800 -0.002 0.000 0.929 725 D HN 0.392 nan 8.370 nan 0.000 0.492 726 V N -0.878 119.045 119.914 0.015 0.000 3.621 726 V HA 0.263 4.383 4.120 0.000 0.000 0.285 726 V C 1.344 177.463 176.094 0.042 0.000 1.346 726 V CA 0.504 62.817 62.300 0.021 0.000 1.104 726 V CB 0.216 32.045 31.823 0.010 0.000 0.913 726 V HN 0.285 nan 8.190 nan 0.000 0.432 727 G N 1.183 110.016 108.800 0.055 0.000 2.225 727 G HA2 -0.198 3.762 3.960 0.000 0.000 0.264 727 G HA3 -0.198 3.762 3.960 0.000 0.000 0.264 727 G C -0.056 174.902 174.900 0.097 0.000 1.060 727 G CA 0.247 45.389 45.100 0.069 0.000 0.833 727 G HN 0.417 nan 8.290 nan 0.000 0.498 728 V N 0.474 120.467 119.914 0.132 0.000 2.370 728 V HA 0.493 4.613 4.120 0.000 0.000 0.279 728 V C 0.332 176.604 176.094 0.297 0.000 1.029 728 V CA -0.545 61.867 62.300 0.186 0.000 0.870 728 V CB 1.764 33.688 31.823 0.169 0.000 0.984 728 V HN 0.448 nan 8.190 nan 0.000 0.451 729 D N 4.098 124.646 120.400 0.247 0.000 2.255 729 D HA 0.611 5.252 4.640 0.000 0.000 0.249 729 D C -0.601 175.918 176.300 0.365 0.000 1.078 729 D CA 0.079 54.206 54.000 0.210 0.000 0.896 729 D CB 0.892 41.753 40.800 0.102 0.000 1.194 729 D HN 0.347 nan 8.370 nan 0.000 0.429 730 F N -0.139 119.888 119.950 0.128 0.000 2.779 730 F HA 0.495 5.022 4.527 0.000 0.000 0.316 730 F C -1.338 174.518 175.800 0.093 0.000 1.164 730 F CA -1.153 56.946 58.000 0.164 0.000 0.924 730 F CB 0.717 39.851 39.000 0.224 0.000 1.348 730 F HN 0.060 nan 8.300 nan 0.000 0.467 731 Q N 1.325 121.223 119.800 0.164 0.000 2.245 731 Q HA 0.812 5.152 4.340 0.000 0.000 0.256 731 Q C -0.721 175.296 176.000 0.029 0.000 0.942 731 Q CA -0.631 55.177 55.803 0.008 0.000 0.896 731 Q CB 1.936 30.707 28.738 0.055 0.000 1.272 731 Q HN 1.041 nan 8.270 nan 0.000 0.442 732 A N 1.805 124.604 122.820 -0.035 0.000 2.566 732 A HA 0.883 5.203 4.320 0.000 0.000 0.292 732 A C -1.327 176.208 177.584 -0.081 0.000 1.112 732 A CA -0.573 51.477 52.037 0.021 0.000 0.707 732 A CB 1.962 21.038 19.000 0.126 0.000 1.302 732 A HN 0.609 nan 8.150 nan 0.000 0.409 733 M N 1.023 120.562 119.600 -0.102 0.000 2.319 733 M HA 0.525 5.006 4.480 0.000 0.000 0.265 733 M C -2.061 174.100 176.300 -0.231 0.000 1.038 733 M CA -0.556 54.528 55.300 -0.361 0.000 0.946 733 M CB 0.916 33.200 32.600 -0.527 0.000 1.984 733 M HN 1.033 nan 8.290 nan 0.000 0.482 734 W N 4.293 125.411 121.300 -0.303 0.000 2.576 734 W HA 0.829 5.489 4.660 0.000 0.000 0.360 734 W C -1.984 174.217 176.519 -0.529 0.000 1.109 734 W CA -0.822 56.416 57.345 -0.179 0.000 1.237 734 W CB 0.534 29.931 29.460 -0.105 0.000 1.369 734 W HN 0.614 nan 8.180 nan 0.000 0.609 735 Y N 1.931 122.358 120.300 0.212 0.000 2.402 735 Y HA 0.279 4.830 4.550 0.000 0.000 0.325 735 Y C 0.658 176.659 175.900 0.169 0.000 1.009 735 Y CA -1.172 56.968 58.100 0.067 0.000 1.278 735 Y CB 1.366 39.834 38.460 0.013 0.000 1.105 735 Y HN 0.649 nan 8.280 nan 0.000 0.476 736 T N 1.200 115.922 114.554 0.279 0.000 2.902 736 T HA 0.099 4.449 4.350 0.000 0.000 0.301 736 T C 0.481 175.255 174.700 0.123 0.000 1.012 736 T CA 0.460 62.649 62.100 0.149 0.000 1.151 736 T CB 0.184 69.055 68.868 0.006 0.000 0.946 736 T HN 0.771 nan 8.240 nan 0.000 0.542 737 D N 1.036 121.503 120.400 0.112 0.000 3.079 737 D HA -0.112 4.528 4.640 0.000 0.000 0.214 737 D C -0.177 176.300 176.300 0.294 0.000 1.145 737 D CA 1.177 55.218 54.000 0.070 0.000 0.958 737 D CB -0.655 39.967 40.800 -0.298 0.000 1.117 737 D HN 0.700 nan 8.370 nan 0.000 0.416 738 E N 0.730 121.096 120.200 0.276 0.000 2.204 738 E HA 0.377 4.727 4.350 0.000 0.000 0.276 738 E C 0.599 177.386 176.600 0.311 0.000 0.974 738 E CA -0.426 56.145 56.400 0.285 0.000 0.815 738 E CB 1.487 31.335 29.700 0.247 0.000 1.119 738 E HN 0.328 nan 8.360 nan 0.000 0.393 739 D N -0.206 120.387 120.400 0.323 0.000 2.511 739 D HA -0.010 4.630 4.640 0.000 0.000 0.283 739 D C 1.093 177.621 176.300 0.380 0.000 1.198 739 D CA -0.131 54.076 54.000 0.344 0.000 1.097 739 D CB -0.070 40.955 40.800 0.374 0.000 1.160 739 D HN 0.405 nan 8.370 nan 0.000 0.589 740 H N -1.771 117.480 119.070 0.301 0.000 2.489 740 H HA 0.092 4.649 4.556 0.000 0.000 0.295 740 H C 1.854 177.459 175.328 0.461 0.000 1.082 740 H CA 1.958 58.216 56.048 0.349 0.000 1.295 740 H CB -0.328 29.624 29.762 0.315 0.000 1.380 740 H HN 0.478 nan 8.280 nan 0.000 0.548 741 G N -0.503 108.502 108.800 0.341 0.000 2.744 741 G HA2 0.036 3.996 3.960 0.000 0.000 0.211 741 G HA3 0.036 3.996 3.960 0.000 0.000 0.211 741 G C 0.635 175.752 174.900 0.363 0.000 1.146 741 G CA 0.229 45.469 45.100 0.233 0.000 0.787 741 G HN 0.492 nan 8.290 nan 0.000 0.534 742 I N 0.235 121.010 120.570 0.341 0.000 5.115 742 I HA -0.326 3.844 4.170 0.000 0.000 0.126 742 I C 1.479 177.729 176.117 0.221 0.000 1.316 742 I CA 0.207 61.644 61.300 0.228 0.000 2.641 742 I CB -1.104 36.989 38.000 0.155 0.000 2.272 742 I HN 0.268 nan 8.210 nan 0.000 0.321 743 A N 1.268 124.196 122.820 0.181 0.000 2.430 743 A HA 0.297 4.617 4.320 0.000 0.000 0.243 743 A C 1.129 178.772 177.584 0.099 0.000 1.254 743 A CA 0.520 52.629 52.037 0.121 0.000 0.914 743 A CB 0.157 19.195 19.000 0.064 0.000 0.998 743 A HN 0.631 nan 8.150 nan 0.000 0.515 744 S N -0.316 115.456 115.700 0.120 0.000 2.568 744 S HA 0.155 4.626 4.470 0.000 0.000 0.282 744 S C 1.244 175.909 174.600 0.108 0.000 1.338 744 S CA 0.378 58.643 58.200 0.108 0.000 1.045 744 S CB 1.095 64.364 63.200 0.116 0.000 0.873 744 S HN 0.532 nan 8.310 nan 0.000 0.516 745 S N 2.541 118.293 115.700 0.087 0.000 2.368 745 S HA -0.216 4.254 4.470 0.000 0.000 0.226 745 S C 2.058 176.725 174.600 0.112 0.000 1.044 745 S CA 2.483 60.738 58.200 0.091 0.000 1.062 745 S CB -1.617 61.618 63.200 0.058 0.000 0.931 745 S HN 1.055 nan 8.310 nan 0.000 0.440 746 T N -0.037 114.571 114.554 0.090 0.000 2.812 746 T HA 0.184 4.534 4.350 0.000 0.000 0.264 746 T C 2.029 176.788 174.700 0.099 0.000 1.042 746 T CA 1.320 63.474 62.100 0.089 0.000 1.140 746 T CB -1.013 67.901 68.868 0.076 0.000 0.870 746 T HN 0.496 nan 8.240 nan 0.000 0.445 747 A N 1.725 124.585 122.820 0.068 0.000 1.902 747 A HA -0.142 4.178 4.320 0.000 0.000 0.217 747 A C 2.216 179.759 177.584 -0.069 0.000 1.181 747 A CA 2.155 54.163 52.037 -0.048 0.000 0.623 747 A CB -1.300 17.639 19.000 -0.101 0.000 0.818 747 A HN 0.744 nan 8.150 nan 0.000 0.443 748 H N -0.067 118.990 119.070 -0.022 0.000 2.319 748 H HA -0.169 4.387 4.556 0.000 0.000 0.297 748 H C 2.097 177.496 175.328 0.118 0.000 1.097 748 H CA 2.429 58.519 56.048 0.069 0.000 1.285 748 H CB -0.288 29.523 29.762 0.082 0.000 1.368 748 H HN 0.601 nan 8.280 nan 0.000 0.495 749 Q N -1.042 118.729 119.800 -0.049 0.000 2.084 749 Q HA -0.187 4.154 4.340 0.000 0.000 0.202 749 Q C 2.279 178.257 176.000 -0.037 0.000 0.978 749 Q CA 1.336 57.079 55.803 -0.099 0.000 0.844 749 Q CB -0.240 28.486 28.738 -0.020 0.000 0.898 749 Q HN 0.631 nan 8.270 nan 0.000 0.426 750 H N 0.930 119.967 119.070 -0.054 0.000 2.293 750 H HA -0.101 4.455 4.556 0.000 0.000 0.300 750 H C 2.083 177.405 175.328 -0.009 0.000 1.082 750 H CA 1.519 57.572 56.048 0.007 0.000 1.308 750 H CB -0.169 29.651 29.762 0.097 0.000 1.375 750 H HN 0.270 nan 8.280 nan 0.000 0.495 751 I N 0.191 120.760 120.570 -0.001 0.000 2.208 751 I HA -0.344 3.826 4.170 0.000 0.000 0.245 751 I C 1.827 177.742 176.117 -0.337 0.000 1.097 751 I CA 1.395 62.598 61.300 -0.163 0.000 1.363 751 I CB -0.263 37.421 38.000 -0.527 0.000 1.051 751 I HN 0.162 nan 8.210 nan 0.000 0.413 752 Y N 0.848 120.972 120.300 -0.293 0.000 2.314 752 Y HA -0.173 4.377 4.550 0.000 0.000 0.293 752 Y C 2.711 178.453 175.900 -0.263 0.000 1.129 752 Y CA 1.740 59.569 58.100 -0.450 0.000 1.201 752 Y CB -0.798 37.388 38.460 -0.458 0.000 0.999 752 Y HN 0.148 nan 8.280 nan 0.000 0.541 753 T N -1.635 112.868 114.554 -0.086 0.000 2.777 753 T HA -0.223 4.127 4.350 0.000 0.000 0.266 753 T C 1.562 176.160 174.700 -0.170 0.000 1.040 753 T CA 1.863 63.863 62.100 -0.166 0.000 1.141 753 T CB -0.434 68.325 68.868 -0.183 0.000 0.868 753 T HN 0.398 nan 8.240 nan 0.000 0.444 754 H N 0.985 119.958 119.070 -0.162 0.000 2.321 754 H HA 0.096 4.653 4.556 0.000 0.000 0.300 754 H C 2.185 177.520 175.328 0.012 0.000 1.087 754 H CA 1.589 57.615 56.048 -0.036 0.000 1.319 754 H CB -0.260 29.494 29.762 -0.013 0.000 1.379 754 H HN 0.247 nan 8.280 nan 0.000 0.501 755 M N -0.740 118.842 119.600 -0.031 0.000 2.159 755 M HA -0.165 4.315 4.480 0.000 0.000 0.263 755 M C 2.390 178.829 176.300 0.231 0.000 1.063 755 M CA 1.474 56.754 55.300 -0.033 0.000 1.110 755 M CB -0.027 32.312 32.600 -0.435 0.000 1.374 755 M HN 0.214 nan 8.290 nan 0.000 0.411 756 S N -0.527 115.327 115.700 0.256 0.000 2.348 756 S HA -0.158 4.313 4.470 0.000 0.000 0.221 756 S C 1.707 176.409 174.600 0.169 0.000 1.033 756 S CA 1.070 59.483 58.200 0.355 0.000 1.010 756 S CB -0.634 62.743 63.200 0.296 0.000 0.891 756 S HN 0.467 nan 8.310 nan 0.000 0.442 757 H N 0.136 119.275 119.070 0.116 0.000 2.319 757 H HA -0.076 4.480 4.556 0.000 0.000 0.299 757 H C 1.992 177.328 175.328 0.014 0.000 1.092 757 H CA 1.437 57.505 56.048 0.033 0.000 1.302 757 H CB -0.859 28.877 29.762 -0.044 0.000 1.373 757 H HN 0.434 nan 8.280 nan 0.000 0.497 758 F N 1.267 121.217 119.950 -0.000 0.000 2.095 758 F HA -0.206 4.321 4.527 0.000 0.000 0.298 758 F C 2.301 178.068 175.800 -0.054 0.000 1.104 758 F CA 0.968 58.935 58.000 -0.054 0.000 1.232 758 F CB -0.294 38.653 39.000 -0.089 0.000 0.987 758 F HN -0.031 nan 8.300 nan 0.000 0.475 759 I N 1.511 122.100 120.570 0.033 0.000 2.179 759 I HA -0.278 3.892 4.170 0.000 0.000 0.242 759 I C 2.340 178.282 176.117 -0.292 0.000 1.088 759 I CA 1.673 62.844 61.300 -0.214 0.000 1.357 759 I CB -1.447 36.511 38.000 -0.070 0.000 1.051 759 I HN 0.279 nan 8.210 nan 0.000 0.409 760 K N 0.670 121.041 120.400 -0.048 0.000 2.148 760 K HA -0.205 4.115 4.320 0.000 0.000 0.204 760 K C 1.903 178.504 176.600 0.002 0.000 1.050 760 K CA 0.911 57.223 56.287 0.042 0.000 0.942 760 K CB -0.522 32.041 32.500 0.105 0.000 0.724 760 K HN 0.360 nan 8.250 nan 0.000 0.446 761 Q N 1.925 121.682 119.800 -0.072 0.000 2.084 761 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 761 Q C 2.178 178.088 176.000 -0.151 0.000 0.978 761 Q CA 1.888 57.631 55.803 -0.099 0.000 0.844 761 Q CB -0.483 28.175 28.738 -0.133 0.000 0.898 761 Q HN 0.457 nan 8.270 nan 0.000 0.426 762 c N 0.153 118.565 118.600 -0.315 0.000 2.435 762 c HA -0.025 4.546 4.570 0.000 0.000 0.279 762 c C 2.021 176.098 174.090 -0.021 0.000 1.321 762 c CA 0.154 56.303 56.329 -0.301 0.000 1.752 762 c CB -1.309 40.857 42.510 -0.573 0.000 1.959 762 c HN 0.494 nan 8.230 nan 0.000 0.500 763 F N 1.613 121.522 119.950 -0.069 0.000 2.692 763 F HA 0.350 4.877 4.527 0.000 0.000 0.303 763 F C 1.168 176.950 175.800 -0.031 0.000 1.114 763 F CA -0.111 57.868 58.000 -0.034 0.000 1.361 763 F CB -0.718 38.269 39.000 -0.022 0.000 1.063 763 F HN 0.177 nan 8.300 nan 0.000 0.550 764 S N 0.000 115.782 115.700 0.136 0.000 2.498 764 S HA 0.000 4.470 4.470 0.000 0.000 0.327 764 S CA 0.000 58.242 58.200 0.070 0.000 1.107 764 S CB 0.000 63.232 63.200 0.054 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517