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 3oc0_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.642 174.600 0.069 0.000 1.055 39 S CA 0.000 58.242 58.200 0.070 0.000 1.107 39 S CB 0.000 63.224 63.200 0.040 0.000 0.593 40 R N 2.022 122.575 120.500 0.087 0.000 3.835 40 R HA -0.212 4.127 4.340 -0.002 0.000 0.258 40 R C 0.383 176.730 176.300 0.078 0.000 0.513 40 R CA 2.249 58.397 56.100 0.080 0.000 1.067 40 R CB -1.369 28.973 30.300 0.070 0.000 0.903 40 R HN 0.658 nan 8.270 nan 0.000 0.594 41 K N 1.268 121.716 120.400 0.079 0.000 2.397 41 K HA 0.089 4.408 4.320 -0.002 0.000 0.265 41 K C -0.337 176.320 176.600 0.094 0.000 0.982 41 K CA 0.948 57.289 56.287 0.090 0.000 0.931 41 K CB 0.350 32.916 32.500 0.110 0.000 0.943 41 K HN 0.414 nan 8.250 nan 0.000 0.501 42 T N 1.650 116.270 114.554 0.109 0.000 2.940 42 T HA 0.167 4.515 4.350 -0.002 0.000 0.288 42 T C -1.419 173.390 174.700 0.181 0.000 1.033 42 T CA -0.464 61.712 62.100 0.126 0.000 1.033 42 T CB 0.356 69.295 68.868 0.119 0.000 1.079 42 T HN 0.433 nan 8.240 nan 0.000 0.496 43 Y N 2.753 123.114 120.300 0.101 0.000 2.531 43 Y HA 0.305 4.854 4.550 -0.002 0.000 0.347 43 Y C 0.449 176.492 175.900 0.239 0.000 1.024 43 Y CA 0.064 58.256 58.100 0.153 0.000 1.306 43 Y CB -0.084 38.429 38.460 0.088 0.000 1.149 43 Y HN 0.480 nan 8.280 nan 0.000 0.527 44 T N 7.175 121.604 114.554 -0.208 0.000 2.929 44 T HA 0.103 4.452 4.350 -0.002 0.000 0.284 44 T C 1.065 175.580 174.700 -0.310 0.000 1.014 44 T CA -0.754 61.286 62.100 -0.100 0.000 1.051 44 T CB 1.549 70.376 68.868 -0.069 0.000 1.028 44 T HN 0.717 nan 8.240 nan 0.000 0.485 45 L N 2.709 123.613 121.223 -0.533 0.000 2.051 45 L HA -0.149 4.190 4.340 -0.002 0.000 0.214 45 L C 2.361 179.089 176.870 -0.237 0.000 1.076 45 L CA 2.169 56.629 54.840 -0.634 0.000 0.758 45 L CB -1.370 40.181 42.059 -0.848 0.000 0.890 45 L HN 0.814 nan 8.230 nan 0.000 0.433 46 T N -0.774 113.657 114.554 -0.205 0.000 2.821 46 T HA -0.143 4.206 4.350 -0.002 0.000 0.267 46 T C 1.505 176.121 174.700 -0.140 0.000 1.046 46 T CA 1.306 63.323 62.100 -0.138 0.000 1.139 46 T CB -0.403 68.401 68.868 -0.107 0.000 0.871 46 T HN 0.424 nan 8.240 nan 0.000 0.454 47 D N 0.351 120.631 120.400 -0.200 0.000 2.097 47 D HA -0.101 4.538 4.640 -0.002 0.000 0.195 47 D C 1.799 178.047 176.300 -0.086 0.000 0.989 47 D CA 1.075 54.944 54.000 -0.218 0.000 0.827 47 D CB -0.429 40.119 40.800 -0.419 0.000 0.966 47 D HN 0.389 nan 8.370 nan 0.000 0.456 48 Y N 1.489 121.651 120.300 -0.231 0.000 2.097 48 Y HA -0.194 4.355 4.550 -0.002 0.000 0.282 48 Y C 2.011 177.942 175.900 0.052 0.000 1.152 48 Y CA 1.086 59.223 58.100 0.063 0.000 1.136 48 Y CB -0.581 37.954 38.460 0.126 0.000 0.975 48 Y HN -0.130 nan 8.280 nan 0.000 0.498 49 L N 0.430 121.510 121.223 -0.238 0.000 2.217 49 L HA -0.099 4.240 4.340 -0.002 0.000 0.211 49 L C 1.850 178.622 176.870 -0.163 0.000 1.107 49 L CA 1.577 56.240 54.840 -0.296 0.000 0.783 49 L CB -0.773 41.186 42.059 -0.166 0.000 0.919 49 L HN 0.181 nan 8.230 nan 0.000 0.442 50 K N -0.777 119.553 120.400 -0.117 0.000 2.358 50 K HA 0.182 4.500 4.320 -0.002 0.000 0.200 50 K C -0.115 176.443 176.600 -0.072 0.000 1.030 50 K CA -0.203 56.032 56.287 -0.087 0.000 1.097 50 K CB 0.204 32.654 32.500 -0.082 0.000 0.862 50 K HN 0.153 nan 8.250 nan 0.000 0.534 51 N N 1.545 120.217 118.700 -0.047 0.000 2.648 51 N HA -0.126 4.612 4.740 -0.002 0.000 0.265 51 N C 0.328 175.818 175.510 -0.034 0.000 1.100 51 N CA 0.833 53.890 53.050 0.012 0.000 0.715 51 N CB -1.542 36.949 38.487 0.006 0.000 0.881 51 N HN 0.120 nan 8.380 nan 0.000 0.548 52 T N -1.250 113.238 114.554 -0.110 0.000 2.904 52 T HA -0.105 4.244 4.350 -0.002 0.000 0.267 52 T C 0.382 174.830 174.700 -0.420 0.000 1.059 52 T CA 1.242 63.131 62.100 -0.351 0.000 1.137 52 T CB -0.029 68.472 68.868 -0.613 0.000 0.879 52 T HN 0.386 nan 8.240 nan 0.000 0.467 53 Y N 1.863 122.251 120.300 0.148 0.000 2.712 53 Y HA 0.456 5.005 4.550 -0.002 0.000 0.328 53 Y C 0.312 176.311 175.900 0.164 0.000 0.995 53 Y CA -1.284 56.920 58.100 0.173 0.000 1.283 53 Y CB 0.358 38.974 38.460 0.261 0.000 1.092 53 Y HN -0.160 nan 8.280 nan 0.000 0.519 54 R N 2.706 123.339 120.500 0.221 0.000 2.357 54 R HA 0.457 4.796 4.340 -0.002 0.000 0.296 54 R C -0.696 175.709 176.300 0.175 0.000 1.052 54 R CA -0.753 55.447 56.100 0.167 0.000 0.988 54 R CB 1.205 31.564 30.300 0.098 0.000 1.025 54 R HN 0.565 nan 8.270 nan 0.000 0.469 55 L N 3.967 125.295 121.223 0.175 0.000 2.319 55 L HA 0.193 4.531 4.340 -0.002 0.000 0.280 55 L C 0.572 177.521 176.870 0.131 0.000 1.099 55 L CA -0.015 54.931 54.840 0.176 0.000 0.828 55 L CB 0.545 42.727 42.059 0.206 0.000 1.150 55 L HN 0.362 nan 8.230 nan 0.000 0.442 56 K N 4.355 124.824 120.400 0.115 0.000 2.154 56 K HA 0.553 4.871 4.320 -0.002 0.000 0.264 56 K C -0.544 176.072 176.600 0.027 0.000 1.008 56 K CA -0.448 55.878 56.287 0.065 0.000 0.937 56 K CB 1.302 33.835 32.500 0.055 0.000 1.002 56 K HN 0.448 nan 8.250 nan 0.000 0.469 57 L N 1.014 122.186 121.223 -0.086 0.000 2.256 57 L HA 0.424 4.763 4.340 -0.002 0.000 0.261 57 L C -0.921 175.699 176.870 -0.416 0.000 1.022 57 L CA -1.027 53.630 54.840 -0.304 0.000 0.828 57 L CB 1.108 43.107 42.059 -0.101 0.000 1.374 57 L HN 0.583 nan 8.230 nan 0.000 0.436 58 Y N 0.347 120.163 120.300 -0.806 0.000 2.513 58 Y HA 0.294 4.843 4.550 -0.002 0.000 0.341 58 Y C -0.518 175.267 175.900 -0.191 0.000 1.075 58 Y CA -0.536 57.302 58.100 -0.437 0.000 1.190 58 Y CB 1.054 39.140 38.460 -0.622 0.000 1.111 58 Y HN 0.406 nan 8.280 nan 0.000 0.644 59 S N 5.429 121.062 115.700 -0.112 0.000 2.448 59 S HA 0.480 4.949 4.470 -0.002 0.000 0.279 59 S C -0.349 174.207 174.600 -0.073 0.000 1.195 59 S CA -0.520 57.649 58.200 -0.051 0.000 1.051 59 S CB 0.132 63.308 63.200 -0.040 0.000 0.948 59 S HN 0.619 nan 8.310 nan 0.000 0.493 60 L N 2.106 123.260 121.223 -0.115 0.000 2.323 60 L HA 0.740 5.079 4.340 -0.002 0.000 0.265 60 L C -0.918 175.861 176.870 -0.152 0.000 1.012 60 L CA -1.036 53.675 54.840 -0.214 0.000 0.820 60 L CB 1.674 43.318 42.059 -0.692 0.000 1.334 60 L HN 0.447 nan 8.230 nan 0.000 0.427 61 R N 2.280 122.736 120.500 -0.072 0.000 2.388 61 R HA 0.348 4.686 4.340 -0.002 0.000 0.314 61 R C -1.562 174.788 176.300 0.083 0.000 0.959 61 R CA -0.434 55.693 56.100 0.046 0.000 0.851 61 R CB 1.324 31.708 30.300 0.139 0.000 1.168 61 R HN 0.648 nan 8.270 nan 0.000 0.472 62 W N 3.857 125.260 121.300 0.172 0.000 2.181 62 W HA 0.110 4.769 4.660 -0.002 0.000 0.335 62 W C 1.621 178.226 176.519 0.144 0.000 1.310 62 W CA -0.296 57.162 57.345 0.188 0.000 1.226 62 W CB 0.499 30.068 29.460 0.181 0.000 1.155 62 W HN 0.635 nan 8.180 nan 0.000 0.565 63 I N -0.270 120.530 120.570 0.384 0.000 4.338 63 I HA 0.362 4.531 4.170 -0.002 0.000 0.329 63 I C 0.374 176.591 176.117 0.167 0.000 1.378 63 I CA -0.156 61.266 61.300 0.203 0.000 1.170 63 I CB 0.024 38.070 38.000 0.076 0.000 1.206 63 I HN 0.278 nan 8.210 nan 0.000 0.432 64 S N 0.589 116.429 115.700 0.232 0.000 2.694 64 S HA 0.184 4.653 4.470 -0.002 0.000 0.273 64 S C -0.174 174.563 174.600 0.227 0.000 1.180 64 S CA 0.079 58.387 58.200 0.181 0.000 0.864 64 S CB 0.784 64.052 63.200 0.113 0.000 1.198 64 S HN 0.250 nan 8.310 nan 0.000 0.499 65 D N 0.448 120.996 120.400 0.247 0.000 2.348 65 D HA -0.066 4.573 4.640 -0.002 0.000 0.216 65 D C 1.059 177.627 176.300 0.447 0.000 0.970 65 D CA 1.620 55.764 54.000 0.239 0.000 0.889 65 D CB -0.617 40.311 40.800 0.213 0.000 0.912 65 D HN 0.871 nan 8.370 nan 0.000 0.524 66 H N -2.021 117.237 119.070 0.313 0.000 3.334 66 H HA 0.428 4.983 4.556 -0.002 0.000 0.256 66 H C -0.680 174.807 175.328 0.265 0.000 1.162 66 H CA -0.466 55.777 56.048 0.324 0.000 1.030 66 H CB -0.286 29.647 29.762 0.285 0.000 2.151 66 H HN 0.019 nan 8.280 nan 0.000 0.742 67 E N 0.999 121.207 120.200 0.015 0.000 2.343 67 E HA 0.435 4.784 4.350 -0.002 0.000 0.270 67 E C -1.524 175.209 176.600 0.221 0.000 0.895 67 E CA -1.221 55.152 56.400 -0.044 0.000 0.767 67 E CB 2.997 32.555 29.700 -0.236 0.000 1.248 67 E HN 0.287 nan 8.360 nan 0.000 0.440 68 Y N -0.751 119.547 120.300 -0.004 0.000 2.581 68 Y HA 0.650 5.199 4.550 -0.002 0.000 0.345 68 Y C -1.496 174.385 175.900 -0.032 0.000 1.036 68 Y CA -1.269 56.745 58.100 -0.143 0.000 1.042 68 Y CB 0.860 38.922 38.460 -0.663 0.000 1.289 68 Y HN 0.315 nan 8.280 nan 0.000 0.471 69 L N 2.662 124.017 121.223 0.219 0.000 2.344 69 L HA 0.529 4.868 4.340 -0.002 0.000 0.272 69 L C -1.385 175.687 176.870 0.337 0.000 1.035 69 L CA -1.108 53.859 54.840 0.212 0.000 0.807 69 L CB 1.837 43.983 42.059 0.144 0.000 1.237 69 L HN 0.814 nan 8.230 nan 0.000 0.442 70 Y N 2.064 122.452 120.300 0.146 0.000 2.401 70 Y HA 0.269 4.817 4.550 -0.002 0.000 0.330 70 Y C -1.031 174.890 175.900 0.035 0.000 1.071 70 Y CA -1.435 56.675 58.100 0.017 0.000 1.049 70 Y CB 1.442 39.851 38.460 -0.085 0.000 1.239 70 Y HN 0.462 nan 8.280 nan 0.000 0.437 71 K N 5.095 125.235 120.400 -0.434 0.000 2.266 71 K HA 0.352 4.670 4.320 -0.002 0.000 0.274 71 K C -0.889 175.375 176.600 -0.561 0.000 1.090 71 K CA -0.722 55.362 56.287 -0.338 0.000 0.925 71 K CB 1.534 33.947 32.500 -0.146 0.000 1.225 71 K HN 0.681 nan 8.250 nan 0.000 0.458 72 Q N 3.286 122.885 119.800 -0.333 0.000 2.314 72 Q HA 0.095 4.433 4.340 -0.002 0.000 0.259 72 Q C -0.753 175.183 176.000 -0.107 0.000 0.951 72 Q CA 0.172 55.848 55.803 -0.211 0.000 0.909 72 Q CB 0.769 29.532 28.738 0.042 0.000 1.236 72 Q HN 0.824 nan 8.270 nan 0.000 0.444 73 E N 2.310 122.450 120.200 -0.101 0.000 3.043 73 E HA -0.345 4.004 4.350 -0.002 0.000 0.368 73 E C -0.384 176.171 176.600 -0.075 0.000 1.459 73 E CA 1.789 58.150 56.400 -0.065 0.000 1.337 73 E CB -0.892 28.785 29.700 -0.037 0.000 1.696 73 E HN 0.776 nan 8.360 nan 0.000 0.520 74 N N 0.678 119.342 118.700 -0.059 0.000 2.194 74 N HA 0.203 4.942 4.740 -0.002 0.000 0.231 74 N C -1.152 174.320 175.510 -0.063 0.000 1.247 74 N CA -0.131 52.885 53.050 -0.057 0.000 0.884 74 N CB 0.499 38.962 38.487 -0.040 0.000 1.146 74 N HN 0.131 nan 8.380 nan 0.000 0.516 75 N N 1.075 119.738 118.700 -0.061 0.000 2.514 75 N HA 0.229 4.968 4.740 -0.002 0.000 0.277 75 N C -0.422 175.058 175.510 -0.051 0.000 1.126 75 N CA 0.061 53.078 53.050 -0.055 0.000 0.978 75 N CB 1.647 40.114 38.487 -0.033 0.000 1.106 75 N HN 0.086 nan 8.380 nan 0.000 0.461 76 I N 2.962 123.504 120.570 -0.047 0.000 2.342 76 I HA 0.246 4.415 4.170 -0.002 0.000 0.291 76 I C 0.071 176.248 176.117 0.099 0.000 1.010 76 I CA -0.388 60.908 61.300 -0.005 0.000 1.308 76 I CB 0.770 38.735 38.000 -0.058 0.000 1.400 76 I HN 0.192 nan 8.210 nan 0.000 0.488 77 L N 6.906 128.226 121.223 0.160 0.000 2.346 77 L HA 0.614 4.953 4.340 -0.002 0.000 0.274 77 L C -0.440 176.566 176.870 0.226 0.000 1.007 77 L CA -0.943 54.015 54.840 0.197 0.000 0.818 77 L CB 2.157 44.407 42.059 0.319 0.000 1.284 77 L HN 0.320 nan 8.230 nan 0.000 0.424 78 V N 2.555 122.516 119.914 0.078 0.000 2.483 78 V HA 0.580 4.699 4.120 -0.002 0.000 0.295 78 V C -1.128 174.882 176.094 -0.141 0.000 1.035 78 V CA -0.178 62.121 62.300 -0.002 0.000 0.896 78 V CB 1.701 33.459 31.823 -0.108 0.000 0.986 78 V HN 0.489 nan 8.190 nan 0.000 0.447 79 F N 4.487 124.168 119.950 -0.448 0.000 2.546 79 F HA 0.517 5.043 4.527 -0.002 0.000 0.320 79 F C 0.279 175.780 175.800 -0.499 0.000 1.076 79 F CA -0.698 56.948 58.000 -0.591 0.000 0.928 79 F CB 1.914 40.155 39.000 -1.265 0.000 1.189 79 F HN 0.513 nan 8.300 nan 0.000 0.465 80 N N 1.554 120.165 118.700 -0.149 0.000 2.437 80 N HA 0.341 5.080 4.740 -0.002 0.000 0.259 80 N C 0.325 175.798 175.510 -0.063 0.000 0.983 80 N CA 0.118 53.134 53.050 -0.056 0.000 0.937 80 N CB 1.900 40.420 38.487 0.056 0.000 1.122 80 N HN 0.796 nan 8.380 nan 0.000 0.499 81 A N 3.452 126.206 122.820 -0.111 0.000 1.930 81 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 81 A C 1.855 179.191 177.584 -0.412 0.000 1.175 81 A CA 1.148 53.049 52.037 -0.226 0.000 0.627 81 A CB -0.261 18.539 19.000 -0.332 0.000 0.815 81 A HN 0.716 nan 8.150 nan 0.000 0.443 82 E N -0.730 119.182 120.200 -0.479 0.000 2.028 82 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 82 E C 1.466 177.769 176.600 -0.494 0.000 0.988 82 E CA 1.605 57.702 56.400 -0.505 0.000 0.799 82 E CB -0.352 28.997 29.700 -0.585 0.000 0.755 82 E HN 0.707 nan 8.360 nan 0.000 0.447 83 Y N -1.794 118.492 120.300 -0.023 0.000 2.524 83 Y HA 0.319 4.868 4.550 -0.002 0.000 0.270 83 Y C 1.705 177.591 175.900 -0.023 0.000 1.094 83 Y CA 0.573 58.664 58.100 -0.014 0.000 1.276 83 Y CB 0.463 38.918 38.460 -0.008 0.000 1.130 83 Y HN 0.194 nan 8.280 nan 0.000 0.536 84 G N 0.792 109.645 108.800 0.087 0.000 2.176 84 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.253 84 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.253 84 G C 0.202 175.114 174.900 0.020 0.000 0.979 84 G CA 0.215 45.358 45.100 0.071 0.000 0.641 84 G HN 0.461 nan 8.290 nan 0.000 0.530 85 N N 0.545 119.244 118.700 -0.002 0.000 2.288 85 N HA 0.550 5.289 4.740 -0.002 0.000 0.237 85 N C 0.123 175.467 175.510 -0.277 0.000 1.311 85 N CA 0.874 53.864 53.050 -0.100 0.000 0.909 85 N CB 1.219 39.665 38.487 -0.067 0.000 1.167 85 N HN 1.305 nan 8.380 nan 0.000 0.476 86 S N -2.496 112.988 115.700 -0.359 0.000 2.595 86 S HA 0.638 5.107 4.470 -0.002 0.000 0.270 86 S C -1.284 173.107 174.600 -0.349 0.000 1.145 86 S CA -0.797 57.063 58.200 -0.567 0.000 0.825 86 S CB 0.812 63.224 63.200 -1.313 0.000 1.107 86 S HN 0.879 nan 8.310 nan 0.000 0.461 87 S N 0.093 115.623 115.700 -0.283 0.000 2.794 87 S HA 0.776 5.245 4.470 -0.002 0.000 0.299 87 S C -1.036 173.513 174.600 -0.085 0.000 1.179 87 S CA -0.495 57.617 58.200 -0.147 0.000 0.838 87 S CB 1.052 64.199 63.200 -0.089 0.000 1.206 87 S HN 1.871 nan 8.310 nan 0.000 0.523 88 V N 2.178 122.072 119.914 -0.034 0.000 2.333 88 V HA 0.502 4.621 4.120 -0.002 0.000 0.274 88 V C 0.240 176.368 176.094 0.057 0.000 1.028 88 V CA -0.533 61.770 62.300 0.006 0.000 0.851 88 V CB 0.299 32.105 31.823 -0.028 0.000 1.000 88 V HN 0.853 nan 8.190 nan 0.000 0.456 89 F N 6.444 126.357 119.950 -0.061 0.000 2.118 89 F HA 0.313 4.839 4.527 -0.002 0.000 0.293 89 F C 0.546 176.311 175.800 -0.058 0.000 1.102 89 F CA 1.260 59.228 58.000 -0.053 0.000 1.247 89 F CB 0.338 39.313 39.000 -0.041 0.000 1.017 89 F HN 0.408 nan 8.300 nan 0.000 0.475 90 L N 1.361 122.483 121.223 -0.169 0.000 2.372 90 L HA 0.318 4.656 4.340 -0.002 0.000 0.274 90 L C -0.734 176.030 176.870 -0.176 0.000 0.988 90 L CA -0.623 54.044 54.840 -0.288 0.000 0.833 90 L CB 1.328 43.227 42.059 -0.265 0.000 1.236 90 L HN -0.045 nan 8.230 nan 0.000 0.410 91 E N 2.089 122.170 120.200 -0.198 0.000 2.384 91 E HA -0.047 4.301 4.350 -0.002 0.000 0.266 91 E C 0.757 177.257 176.600 -0.166 0.000 1.012 91 E CA -0.110 56.197 56.400 -0.156 0.000 0.901 91 E CB 0.822 30.428 29.700 -0.156 0.000 0.967 91 E HN 0.669 nan 8.360 nan 0.000 0.435 92 N N 1.456 120.088 118.700 -0.112 0.000 2.334 92 N HA -0.233 4.506 4.740 -0.002 0.000 0.187 92 N C 1.171 176.619 175.510 -0.102 0.000 1.016 92 N CA 1.723 54.720 53.050 -0.089 0.000 0.879 92 N CB -0.269 38.181 38.487 -0.062 0.000 0.965 92 N HN 0.324 nan 8.380 nan 0.000 0.438 93 S N -1.828 113.792 115.700 -0.133 0.000 2.470 93 S HA 0.006 4.475 4.470 -0.002 0.000 0.225 93 S C 1.658 176.126 174.600 -0.221 0.000 1.006 93 S CA 0.585 58.704 58.200 -0.135 0.000 0.934 93 S CB -0.909 62.223 63.200 -0.114 0.000 0.778 93 S HN 0.278 nan 8.310 nan 0.000 0.517 94 T N 2.229 116.553 114.554 -0.384 0.000 2.653 94 T HA -0.156 4.192 4.350 -0.002 0.000 0.267 94 T C 0.453 174.719 174.700 -0.722 0.000 1.037 94 T CA 1.705 63.390 62.100 -0.692 0.000 1.159 94 T CB -0.647 67.481 68.868 -1.233 0.000 0.859 94 T HN 0.592 nan 8.240 nan 0.000 0.449 95 F N 1.189 121.013 119.950 -0.209 0.000 2.916 95 F HA 0.352 4.878 4.527 -0.002 0.000 0.294 95 F C 1.095 176.860 175.800 -0.058 0.000 1.189 95 F CA -1.173 56.725 58.000 -0.169 0.000 1.369 95 F CB -0.246 38.556 39.000 -0.330 0.000 0.961 95 F HN -0.050 nan 8.300 nan 0.000 0.508 96 D N 0.569 120.990 120.400 0.034 0.000 2.144 96 D HA -0.139 4.500 4.640 -0.002 0.000 0.199 96 D C 1.487 177.815 176.300 0.046 0.000 0.984 96 D CA 1.324 55.340 54.000 0.027 0.000 0.834 96 D CB 0.081 40.870 40.800 -0.019 0.000 0.955 96 D HN 0.394 nan 8.370 nan 0.000 0.465 97 E N -0.651 119.583 120.200 0.057 0.000 2.394 97 E HA 0.008 4.357 4.350 -0.002 0.000 0.191 97 E C 0.753 177.390 176.600 0.061 0.000 1.044 97 E CA -0.345 56.075 56.400 0.033 0.000 0.939 97 E CB 0.033 29.741 29.700 0.013 0.000 1.089 97 E HN 0.230 nan 8.360 nan 0.000 0.456 98 F N 0.915 120.839 119.950 -0.043 0.000 2.259 98 F HA 0.012 4.538 4.527 -0.002 0.000 0.298 98 F C 1.805 177.468 175.800 -0.229 0.000 1.088 98 F CA 1.751 59.699 58.000 -0.087 0.000 1.358 98 F CB 0.223 39.176 39.000 -0.078 0.000 1.040 98 F HN 0.233 nan 8.300 nan 0.000 0.505 99 G N -0.771 107.916 108.800 -0.187 0.000 2.268 99 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.240 99 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.240 99 G C 0.106 174.734 174.900 -0.454 0.000 1.010 99 G CA 0.360 45.219 45.100 -0.402 0.000 0.618 99 G HN 0.573 nan 8.290 nan 0.000 0.516 100 H N 0.194 119.207 119.070 -0.095 0.000 2.524 100 H HA 0.671 5.225 4.556 -0.002 0.000 0.353 100 H C 0.035 175.415 175.328 0.086 0.000 1.136 100 H CA 0.006 56.024 56.048 -0.050 0.000 1.193 100 H CB 1.833 31.388 29.762 -0.345 0.000 1.558 100 H HN 0.178 nan 8.280 nan 0.000 0.515 101 S N 2.654 118.466 115.700 0.186 0.000 2.488 101 S HA 0.164 4.632 4.470 -0.002 0.000 0.278 101 S C 0.132 174.791 174.600 0.099 0.000 1.259 101 S CA -0.631 57.635 58.200 0.109 0.000 1.061 101 S CB -0.276 62.972 63.200 0.079 0.000 0.910 101 S HN 0.403 nan 8.310 nan 0.000 0.491 102 I N 6.013 126.593 120.570 0.016 0.000 2.416 102 I HA 0.134 4.303 4.170 -0.002 0.000 0.288 102 I C 1.711 177.814 176.117 -0.024 0.000 1.051 102 I CA -0.247 61.030 61.300 -0.039 0.000 1.375 102 I CB 0.769 38.656 38.000 -0.188 0.000 1.407 102 I HN 0.766 nan 8.210 nan 0.000 0.516 103 N N 3.560 122.245 118.700 -0.025 0.000 2.305 103 N HA -0.041 4.697 4.740 -0.002 0.000 0.179 103 N C 0.155 175.609 175.510 -0.092 0.000 1.019 103 N CA 0.927 53.920 53.050 -0.095 0.000 0.869 103 N CB 0.540 38.937 38.487 -0.151 0.000 1.000 103 N HN 0.665 nan 8.380 nan 0.000 0.431 104 D N -1.978 118.398 120.400 -0.040 0.000 2.692 104 D HA 0.221 4.860 4.640 -0.002 0.000 0.303 104 D C -1.665 174.688 176.300 0.089 0.000 1.278 104 D CA -0.424 53.571 54.000 -0.008 0.000 0.852 104 D CB 0.989 41.738 40.800 -0.086 0.000 1.375 104 D HN 0.106 nan 8.370 nan 0.000 0.453 105 Y N -1.480 118.853 120.300 0.055 0.000 2.571 105 Y HA 0.745 5.294 4.550 -0.002 0.000 0.341 105 Y C -1.379 174.623 175.900 0.170 0.000 1.076 105 Y CA -0.900 57.260 58.100 0.101 0.000 1.029 105 Y CB 1.680 40.197 38.460 0.093 0.000 1.308 105 Y HN 0.140 nan 8.280 nan 0.000 0.461 106 S N 3.058 118.969 115.700 0.351 0.000 2.619 106 S HA 0.649 5.118 4.470 -0.002 0.000 0.280 106 S C -1.350 173.670 174.600 0.700 0.000 1.150 106 S CA -0.732 57.695 58.200 0.379 0.000 0.978 106 S CB 0.445 63.802 63.200 0.262 0.000 1.041 106 S HN 0.648 nan 8.310 nan 0.000 0.485 107 I N 4.434 125.336 120.570 0.553 0.000 2.331 107 I HA 0.273 4.442 4.170 -0.002 0.000 0.292 107 I C 0.919 176.974 176.117 -0.104 0.000 0.998 107 I CA -0.651 60.856 61.300 0.345 0.000 1.267 107 I CB 1.426 39.608 38.000 0.302 0.000 1.386 107 I HN 0.724 nan 8.210 nan 0.000 0.476 108 S N 6.523 121.814 115.700 -0.682 0.000 2.554 108 S HA 0.052 4.521 4.470 -0.002 0.000 0.290 108 S C -1.769 172.522 174.600 -0.516 0.000 1.309 108 S CA -0.778 56.583 58.200 -1.399 0.000 1.047 108 S CB 0.203 62.624 63.200 -1.298 0.000 0.828 108 S HN 0.495 nan 8.310 nan 0.000 0.509 109 P HA -0.021 nan 4.420 nan 0.000 0.223 109 P C 0.515 177.744 177.300 -0.118 0.000 1.151 109 P CA 1.100 64.103 63.100 -0.162 0.000 0.787 109 P CB -0.178 31.454 31.700 -0.113 0.000 0.788 110 D N -1.888 118.437 120.400 -0.125 0.000 2.342 110 D HA 0.155 4.794 4.640 -0.002 0.000 0.221 110 D C 1.338 177.610 176.300 -0.047 0.000 1.101 110 D CA 0.018 53.985 54.000 -0.056 0.000 0.837 110 D CB -1.057 39.735 40.800 -0.014 0.000 0.938 110 D HN 0.135 nan 8.370 nan 0.000 0.508 111 G N 0.546 109.299 108.800 -0.079 0.000 2.168 111 G HA2 -0.400 3.559 3.960 -0.002 0.000 0.257 111 G HA3 -0.400 3.559 3.960 -0.002 0.000 0.257 111 G C 0.903 175.783 174.900 -0.033 0.000 0.997 111 G CA 0.685 45.766 45.100 -0.032 0.000 0.708 111 G HN 0.468 nan 8.290 nan 0.000 0.520 112 Q N -1.741 117.980 119.800 -0.131 0.000 2.302 112 Q HA 0.359 4.698 4.340 -0.002 0.000 0.202 112 Q C 0.386 175.973 176.000 -0.689 0.000 0.936 112 Q CA 0.747 56.284 55.803 -0.443 0.000 0.886 112 Q CB 0.450 28.852 28.738 -0.560 0.000 0.986 112 Q HN 0.601 nan 8.270 nan 0.000 0.487 113 F N -0.671 119.241 119.950 -0.063 0.000 2.643 113 F HA 0.533 5.058 4.527 -0.002 0.000 0.314 113 F C -0.622 175.292 175.800 0.189 0.000 1.096 113 F CA -1.161 56.873 58.000 0.057 0.000 0.953 113 F CB 1.813 40.882 39.000 0.116 0.000 1.345 113 F HN -0.223 nan 8.300 nan 0.000 0.468 114 I N 2.300 123.219 120.570 0.581 0.000 2.582 114 I HA 0.461 4.630 4.170 -0.002 0.000 0.292 114 I C -1.739 174.719 176.117 0.569 0.000 1.066 114 I CA -0.773 60.884 61.300 0.595 0.000 1.053 114 I CB 1.862 40.153 38.000 0.485 0.000 1.241 114 I HN 0.483 nan 8.210 nan 0.000 0.421 115 L N 7.629 129.185 121.223 0.556 0.000 2.276 115 L HA 0.441 4.780 4.340 -0.002 0.000 0.286 115 L C -0.893 176.121 176.870 0.240 0.000 1.061 115 L CA -0.675 54.344 54.840 0.297 0.000 0.807 115 L CB 1.313 43.434 42.059 0.103 0.000 1.177 115 L HN 0.515 nan 8.230 nan 0.000 0.429 116 L N 4.637 125.937 121.223 0.130 0.000 2.287 116 L HA 0.405 4.744 4.340 -0.002 0.000 0.287 116 L C -0.004 176.904 176.870 0.063 0.000 1.022 116 L CA -0.297 54.526 54.840 -0.027 0.000 0.814 116 L CB 1.578 43.392 42.059 -0.408 0.000 1.217 116 L HN 0.579 nan 8.230 nan 0.000 0.420 117 E N 4.196 124.399 120.200 0.006 0.000 2.134 117 E HA 0.387 4.736 4.350 -0.002 0.000 0.278 117 E C -1.574 174.960 176.600 -0.110 0.000 0.959 117 E CA -0.511 55.745 56.400 -0.241 0.000 0.783 117 E CB 1.026 30.652 29.700 -0.124 0.000 1.095 117 E HN 0.458 nan 8.360 nan 0.000 0.399 118 Y N 1.954 122.064 120.300 -0.316 0.000 2.677 118 Y HA 0.449 4.998 4.550 -0.002 0.000 0.334 118 Y C -0.228 175.581 175.900 -0.151 0.000 1.154 118 Y CA -1.460 56.548 58.100 -0.152 0.000 1.070 118 Y CB 0.658 39.096 38.460 -0.037 0.000 1.294 118 Y HN 0.476 nan 8.280 nan 0.000 0.475 119 N N -0.045 118.662 118.700 0.011 0.000 2.740 119 N HA -0.289 4.449 4.740 -0.002 0.000 0.248 119 N C -1.251 174.215 175.510 -0.073 0.000 1.062 119 N CA 1.001 54.004 53.050 -0.079 0.000 0.704 119 N CB -1.679 36.646 38.487 -0.270 0.000 0.968 119 N HN 0.848 nan 8.380 nan 0.000 0.547 120 Y N -0.029 120.193 120.300 -0.130 0.000 2.465 120 Y HA 0.404 4.952 4.550 -0.002 0.000 0.331 120 Y C -0.207 175.650 175.900 -0.071 0.000 1.102 120 Y CA -0.365 57.662 58.100 -0.123 0.000 1.358 120 Y CB 0.774 39.122 38.460 -0.187 0.000 1.213 120 Y HN -0.014 nan 8.280 nan 0.000 0.525 121 V N 7.936 127.507 119.914 -0.572 0.000 2.443 121 V HA 0.243 4.362 4.120 -0.002 0.000 0.293 121 V C -0.366 175.351 176.094 -0.627 0.000 1.021 121 V CA -1.351 60.652 62.300 -0.495 0.000 0.848 121 V CB 1.350 33.033 31.823 -0.232 0.000 0.998 121 V HN 0.756 nan 8.190 nan 0.000 0.424 122 K N 4.013 124.051 120.400 -0.604 0.000 2.322 122 K HA 0.298 4.617 4.320 -0.002 0.000 0.283 122 K C 0.436 176.885 176.600 -0.251 0.000 1.042 122 K CA -0.030 56.038 56.287 -0.364 0.000 0.958 122 K CB 1.230 33.666 32.500 -0.107 0.000 0.984 122 K HN 0.814 nan 8.250 nan 0.000 0.473 123 Q N 3.417 123.058 119.800 -0.265 0.000 2.674 123 Q HA 0.152 4.491 4.340 -0.002 0.000 0.357 123 Q C -0.098 175.691 176.000 -0.352 0.000 1.089 123 Q CA -0.158 55.329 55.803 -0.527 0.000 0.577 123 Q CB 0.031 28.335 28.738 -0.722 0.000 4.433 123 Q HN 0.713 nan 8.270 nan 0.000 0.364 124 W N -0.124 121.190 121.300 0.023 0.000 1.836 124 W HA 0.381 5.039 4.660 -0.002 0.000 0.628 124 W C 1.868 178.391 176.519 0.007 0.000 1.626 124 W CA -0.802 56.585 57.345 0.069 0.000 1.714 124 W CB -0.148 29.338 29.460 0.044 0.000 3.166 124 W HN 0.291 nan 8.180 nan 0.000 0.772 125 R N -0.586 120.054 120.500 0.233 0.000 2.081 125 R HA -0.145 4.194 4.340 -0.002 0.000 0.235 125 R C 1.725 177.904 176.300 -0.202 0.000 1.131 125 R CA 1.753 57.817 56.100 -0.059 0.000 0.960 125 R CB -0.412 29.744 30.300 -0.240 0.000 0.856 125 R HN 0.510 nan 8.270 nan 0.000 0.436 126 H N -1.399 117.751 119.070 0.133 0.000 2.855 126 H HA 0.175 4.730 4.556 -0.002 0.000 0.259 126 H C 0.472 175.876 175.328 0.127 0.000 0.972 126 H CA 0.326 56.473 56.048 0.165 0.000 1.213 126 H CB 0.534 30.368 29.762 0.119 0.000 1.451 126 H HN 0.127 nan 8.280 nan 0.000 0.484 127 S N 1.383 117.064 115.700 -0.031 0.000 2.592 127 S HA 0.414 4.883 4.470 -0.002 0.000 0.271 127 S C -0.400 174.066 174.600 -0.222 0.000 1.326 127 S CA -0.523 57.313 58.200 -0.607 0.000 1.024 127 S CB 0.921 63.310 63.200 -1.351 0.000 0.921 127 S HN 0.446 nan 8.310 nan 0.000 0.527 128 Y N -2.647 117.518 120.300 -0.225 0.000 2.765 128 Y HA 0.604 5.153 4.550 -0.002 0.000 0.350 128 Y C -0.877 175.008 175.900 -0.025 0.000 1.196 128 Y CA -1.118 56.866 58.100 -0.194 0.000 1.119 128 Y CB 0.225 38.552 38.460 -0.221 0.000 1.368 128 Y HN 0.838 nan 8.280 nan 0.000 0.463 129 T N -0.070 114.559 114.554 0.126 0.000 2.942 129 T HA 1.032 5.381 4.350 -0.002 0.000 0.289 129 T C -0.429 174.355 174.700 0.139 0.000 1.044 129 T CA -0.286 61.896 62.100 0.137 0.000 1.023 129 T CB 1.835 70.726 68.868 0.038 0.000 1.123 129 T HN 1.901 nan 8.240 nan 0.000 0.512 130 A N 0.640 123.511 122.820 0.084 0.000 2.597 130 A HA 0.693 5.012 4.320 -0.002 0.000 0.292 130 A C -0.507 176.853 177.584 -0.372 0.000 1.057 130 A CA -0.935 51.003 52.037 -0.165 0.000 0.674 130 A CB 0.982 19.861 19.000 -0.202 0.000 1.278 130 A HN 0.779 nan 8.150 nan 0.000 0.416 131 S N -0.321 114.941 115.700 -0.731 0.000 2.616 131 S HA 0.780 5.249 4.470 -0.002 0.000 0.277 131 S C -1.323 172.680 174.600 -0.995 0.000 1.234 131 S CA 0.058 57.737 58.200 -0.868 0.000 1.028 131 S CB 0.433 62.756 63.200 -1.461 0.000 0.988 131 S HN 0.451 nan 8.310 nan 0.000 0.522 132 Y N 0.247 120.355 120.300 -0.320 0.000 2.492 132 Y HA 0.450 4.999 4.550 -0.002 0.000 0.346 132 Y C -0.274 175.662 175.900 0.060 0.000 0.997 132 Y CA -0.932 57.109 58.100 -0.098 0.000 1.025 132 Y CB 1.792 40.138 38.460 -0.190 0.000 1.263 132 Y HN 0.496 nan 8.280 nan 0.000 0.454 133 D N 2.046 122.633 120.400 0.310 0.000 2.490 133 D HA 0.592 5.231 4.640 -0.002 0.000 0.232 133 D C -1.015 175.396 176.300 0.185 0.000 1.053 133 D CA -0.356 53.802 54.000 0.263 0.000 0.914 133 D CB 2.488 43.531 40.800 0.404 0.000 1.431 133 D HN 0.392 nan 8.370 nan 0.000 0.483 134 I N 1.779 122.457 120.570 0.180 0.000 2.389 134 I HA 0.216 4.385 4.170 -0.002 0.000 0.288 134 I C -1.044 175.275 176.117 0.337 0.000 0.999 134 I CA -0.971 60.464 61.300 0.225 0.000 1.129 134 I CB 1.476 39.553 38.000 0.129 0.000 1.288 134 I HN 0.196 nan 8.210 nan 0.000 0.444 135 Y N 5.936 126.388 120.300 0.254 0.000 2.342 135 Y HA 0.293 4.842 4.550 -0.002 0.000 0.338 135 Y C -0.068 176.021 175.900 0.314 0.000 0.965 135 Y CA -0.785 57.480 58.100 0.275 0.000 1.159 135 Y CB 0.809 39.450 38.460 0.302 0.000 1.157 135 Y HN 0.491 nan 8.280 nan 0.000 0.486 136 D N 5.872 126.228 120.400 -0.073 0.000 2.339 136 D HA 0.063 4.702 4.640 -0.002 0.000 0.256 136 D C 0.549 176.583 176.300 -0.443 0.000 1.214 136 D CA 0.372 54.310 54.000 -0.103 0.000 0.877 136 D CB 1.077 41.878 40.800 0.002 0.000 1.111 136 D HN 0.848 nan 8.370 nan 0.000 0.478 137 L N 3.912 124.908 121.223 -0.377 0.000 2.095 137 L HA -0.082 4.257 4.340 -0.002 0.000 0.204 137 L C 2.070 178.778 176.870 -0.270 0.000 1.080 137 L CA 0.382 55.036 54.840 -0.310 0.000 0.759 137 L CB -0.230 41.724 42.059 -0.174 0.000 0.914 137 L HN 0.374 nan 8.230 nan 0.000 0.439 138 N N 0.230 118.767 118.700 -0.272 0.000 2.120 138 N HA -0.091 4.648 4.740 -0.002 0.000 0.188 138 N C 0.745 176.157 175.510 -0.164 0.000 1.024 138 N CA 1.050 53.986 53.050 -0.189 0.000 0.852 138 N CB -0.044 38.335 38.487 -0.181 0.000 1.003 138 N HN 0.363 nan 8.380 nan 0.000 0.424 139 K N 0.181 120.469 120.400 -0.187 0.000 2.627 139 K HA 0.355 4.673 4.320 -0.002 0.000 0.269 139 K C 0.282 176.748 176.600 -0.223 0.000 1.029 139 K CA -0.332 55.862 56.287 -0.154 0.000 1.026 139 K CB 0.688 33.117 32.500 -0.118 0.000 1.350 139 K HN -0.071 nan 8.250 nan 0.000 0.506 140 R N 0.563 120.949 120.500 -0.191 0.000 2.772 140 R HA 0.148 4.487 4.340 -0.002 0.000 0.358 140 R C -0.699 175.515 176.300 -0.143 0.000 1.143 140 R CA -0.233 55.731 56.100 -0.226 0.000 1.153 140 R CB 0.900 31.179 30.300 -0.036 0.000 1.329 140 R HN 0.420 nan 8.270 nan 0.000 0.615 141 Q N 1.185 120.852 119.800 -0.222 0.000 2.316 141 Q HA 0.410 4.749 4.340 -0.002 0.000 0.264 141 Q C -0.706 175.325 176.000 0.052 0.000 0.987 141 Q CA -0.668 55.124 55.803 -0.019 0.000 0.852 141 Q CB 1.568 30.299 28.738 -0.012 0.000 1.287 141 Q HN 0.245 nan 8.270 nan 0.000 0.448 142 L N 3.309 124.689 121.223 0.261 0.000 2.464 142 L HA 0.295 4.634 4.340 -0.002 0.000 0.264 142 L C 0.002 176.984 176.870 0.187 0.000 1.199 142 L CA -0.198 54.841 54.840 0.333 0.000 0.818 142 L CB 0.594 42.864 42.059 0.352 0.000 1.102 142 L HN 0.560 nan 8.230 nan 0.000 0.473 143 I N 0.932 121.606 120.570 0.174 0.000 2.353 143 I HA 0.128 4.297 4.170 -0.002 0.000 0.293 143 I C 0.611 176.776 176.117 0.080 0.000 0.992 143 I CA -0.062 61.301 61.300 0.106 0.000 1.268 143 I CB 1.580 39.629 38.000 0.083 0.000 1.387 143 I HN 0.677 nan 8.210 nan 0.000 0.478 144 T N 2.878 117.464 114.554 0.052 0.000 3.014 144 T HA 0.092 4.441 4.350 -0.002 0.000 0.250 144 T C 0.571 175.275 174.700 0.006 0.000 1.060 144 T CA 0.086 62.205 62.100 0.032 0.000 1.040 144 T CB 0.032 68.918 68.868 0.029 0.000 0.971 144 T HN 0.493 nan 8.240 nan 0.000 0.497 145 E N 2.003 122.205 120.200 0.004 0.000 2.249 145 E HA 0.172 4.520 4.350 -0.002 0.000 0.280 145 E C -0.474 176.107 176.600 -0.031 0.000 1.016 145 E CA -0.370 56.023 56.400 -0.012 0.000 0.830 145 E CB 0.462 30.160 29.700 -0.003 0.000 1.081 145 E HN 0.078 nan 8.360 nan 0.000 0.395 146 E N 1.905 122.075 120.200 -0.049 0.000 2.183 146 E HA -0.279 4.069 4.350 -0.002 0.000 0.196 146 E C -0.758 175.782 176.600 -0.099 0.000 1.364 146 E CA 0.760 57.116 56.400 -0.072 0.000 0.700 146 E CB -1.375 28.291 29.700 -0.055 0.000 1.106 146 E HN 0.515 nan 8.360 nan 0.000 0.347 147 R N -0.073 120.359 120.500 -0.114 0.000 2.679 147 R HA 0.379 4.717 4.340 -0.002 0.000 0.269 147 R C 1.213 177.355 176.300 -0.263 0.000 1.076 147 R CA -0.579 55.437 56.100 -0.140 0.000 1.160 147 R CB 0.557 30.797 30.300 -0.100 0.000 1.054 147 R HN 0.163 nan 8.270 nan 0.000 0.507 148 I N 3.575 123.954 120.570 -0.318 0.000 2.692 148 I HA 0.021 4.189 4.170 -0.002 0.000 0.284 148 I C -1.678 174.136 176.117 -0.506 0.000 1.159 148 I CA -1.478 59.479 61.300 -0.571 0.000 1.423 148 I CB 0.402 38.079 38.000 -0.539 0.000 1.380 148 I HN 0.331 nan 8.210 nan 0.000 0.580 149 P HA 0.149 nan 4.420 nan 0.000 0.276 149 P C -0.851 176.217 177.300 -0.387 0.000 1.252 149 P CA -0.542 62.161 63.100 -0.661 0.000 0.802 149 P CB 0.407 31.305 31.700 -1.337 0.000 1.035 150 N N 1.672 120.229 118.700 -0.238 0.000 2.371 150 N HA -0.012 4.727 4.740 -0.002 0.000 0.243 150 N C 0.697 176.264 175.510 0.094 0.000 1.287 150 N CA 0.306 53.300 53.050 -0.095 0.000 0.911 150 N CB -0.411 38.045 38.487 -0.052 0.000 1.142 150 N HN 0.431 nan 8.380 nan 0.000 0.451 151 N N -1.167 117.573 118.700 0.067 0.000 2.708 151 N HA -0.168 4.571 4.740 -0.002 0.000 0.251 151 N C -0.723 174.945 175.510 0.264 0.000 1.123 151 N CA 0.803 53.935 53.050 0.138 0.000 0.739 151 N CB -1.633 36.938 38.487 0.140 0.000 1.113 151 N HN 0.513 nan 8.380 nan 0.000 0.561 152 T N 0.912 115.614 114.554 0.247 0.000 2.946 152 T HA 0.006 4.355 4.350 -0.002 0.000 0.311 152 T C 1.694 176.560 174.700 0.277 0.000 1.063 152 T CA 0.372 62.643 62.100 0.286 0.000 1.139 152 T CB 0.935 69.898 68.868 0.158 0.000 0.994 152 T HN 0.228 nan 8.240 nan 0.000 0.547 153 Q N 0.946 120.908 119.800 0.269 0.000 2.392 153 Q HA 0.216 4.555 4.340 -0.002 0.000 0.219 153 Q C -0.008 176.190 176.000 0.330 0.000 0.895 153 Q CA 0.119 56.096 55.803 0.290 0.000 0.929 153 Q CB 0.976 29.845 28.738 0.218 0.000 1.077 153 Q HN 0.736 nan 8.270 nan 0.000 0.532 154 W N 0.126 121.426 121.300 -0.001 0.000 3.645 154 W HA 0.429 5.088 4.660 -0.002 0.000 0.285 154 W C -2.299 174.158 176.519 -0.104 0.000 1.266 154 W CA -0.606 56.694 57.345 -0.074 0.000 1.212 154 W CB 1.078 30.446 29.460 -0.154 0.000 1.306 154 W HN -0.342 nan 8.180 nan 0.000 0.552 155 V N 3.122 122.402 119.914 -1.057 0.000 2.925 155 V HA 0.796 4.915 4.120 -0.002 0.000 0.311 155 V C -0.496 174.953 176.094 -1.075 0.000 1.104 155 V CA -0.724 61.043 62.300 -0.889 0.000 0.954 155 V CB 1.801 32.996 31.823 -1.048 0.000 1.022 155 V HN 0.493 nan 8.190 nan 0.000 0.427 156 T N 2.090 116.355 114.554 -0.483 0.000 3.291 156 T HA 0.427 4.776 4.350 -0.002 0.000 0.344 156 T C -1.601 173.133 174.700 0.058 0.000 1.293 156 T CA -0.354 61.644 62.100 -0.169 0.000 1.108 156 T CB 0.653 69.644 68.868 0.205 0.000 1.231 156 T HN 0.558 nan 8.240 nan 0.000 0.474 157 W N 3.585 124.913 121.300 0.047 0.000 2.150 157 W HA 0.423 5.082 4.660 -0.002 0.000 0.341 157 W C 1.415 177.823 176.519 -0.184 0.000 1.276 157 W CA -0.581 56.757 57.345 -0.012 0.000 1.238 157 W CB 0.620 30.073 29.460 -0.012 0.000 1.128 157 W HN 0.803 nan 8.180 nan 0.000 0.581 158 S N 1.861 117.357 115.700 -0.340 0.000 2.587 158 S HA 0.066 4.535 4.470 -0.002 0.000 0.260 158 S C -1.680 172.682 174.600 -0.396 0.000 1.353 158 S CA -0.798 56.688 58.200 -1.191 0.000 0.995 158 S CB 0.589 62.987 63.200 -1.337 0.000 0.912 158 S HN 0.335 nan 8.310 nan 0.000 0.568 159 P HA 0.186 nan 4.420 nan 0.000 0.227 159 P C -0.203 177.043 177.300 -0.090 0.000 1.161 159 P CA 0.403 63.459 63.100 -0.074 0.000 0.788 159 P CB 0.129 31.826 31.700 -0.003 0.000 0.822 160 V N -0.787 119.027 119.914 -0.167 0.000 2.516 160 V HA 0.642 4.760 4.120 -0.002 0.000 0.271 160 V C 0.409 176.392 176.094 -0.185 0.000 0.992 160 V CA 0.343 62.563 62.300 -0.133 0.000 0.857 160 V CB 0.775 32.542 31.823 -0.093 0.000 1.047 160 V HN 0.428 nan 8.190 nan 0.000 0.455 161 G N 3.635 112.321 108.800 -0.189 0.000 2.181 161 G HA2 0.018 3.977 3.960 -0.002 0.000 0.098 161 G HA3 0.018 3.977 3.960 -0.002 0.000 0.098 161 G C -0.008 174.766 174.900 -0.211 0.000 1.237 161 G CA 0.145 45.091 45.100 -0.256 0.000 1.238 161 G HN 1.161 nan 8.290 nan 0.000 0.468 162 H N -0.266 118.765 119.070 -0.066 0.000 3.346 162 H HA 0.352 4.907 4.556 -0.002 0.000 0.253 162 H C 0.050 175.525 175.328 0.246 0.000 1.204 162 H CA -0.314 55.741 56.048 0.011 0.000 0.996 162 H CB -0.113 29.669 29.762 0.034 0.000 2.713 162 H HN 0.406 nan 8.280 nan 0.000 0.690 163 K N 1.779 122.256 120.400 0.128 0.000 2.319 163 K HA 0.372 4.691 4.320 -0.002 0.000 0.265 163 K C -0.341 176.419 176.600 0.267 0.000 1.000 163 K CA -0.081 56.290 56.287 0.141 0.000 0.943 163 K CB 1.473 33.903 32.500 -0.117 0.000 0.950 163 K HN 0.144 nan 8.250 nan 0.000 0.485 164 L N 0.925 122.317 121.223 0.282 0.000 2.370 164 L HA 0.588 4.927 4.340 -0.002 0.000 0.266 164 L C -0.869 176.211 176.870 0.350 0.000 1.002 164 L CA -0.873 54.085 54.840 0.197 0.000 0.818 164 L CB 2.127 44.151 42.059 -0.058 0.000 1.325 164 L HN 0.698 nan 8.230 nan 0.000 0.418 165 A N 2.437 125.447 122.820 0.317 0.000 2.375 165 A HA 0.754 5.073 4.320 -0.002 0.000 0.295 165 A C -1.524 176.116 177.584 0.093 0.000 1.066 165 A CA -0.386 51.744 52.037 0.154 0.000 0.722 165 A CB 1.010 20.040 19.000 0.049 0.000 1.206 165 A HN 0.639 nan 8.150 nan 0.000 0.435 166 Y N -0.157 120.131 120.300 -0.019 0.000 2.634 166 Y HA 0.842 5.391 4.550 -0.002 0.000 0.340 166 Y C -1.113 174.825 175.900 0.062 0.000 1.058 166 Y CA -1.730 56.340 58.100 -0.050 0.000 1.081 166 Y CB 1.369 39.731 38.460 -0.164 0.000 1.295 166 Y HN 0.375 nan 8.280 nan 0.000 0.487 167 V N 1.769 121.865 119.914 0.303 0.000 2.483 167 V HA 0.334 4.453 4.120 -0.002 0.000 0.297 167 V C -1.583 174.735 176.094 0.373 0.000 1.027 167 V CA -0.638 61.803 62.300 0.235 0.000 0.855 167 V CB 1.285 33.162 31.823 0.090 0.000 0.995 167 V HN 0.878 nan 8.190 nan 0.000 0.424 168 W N 4.655 126.037 121.300 0.137 0.000 2.998 168 W HA 0.477 5.135 4.660 -0.002 0.000 0.335 168 W C 0.417 176.959 176.519 0.040 0.000 1.110 168 W CA -0.777 56.601 57.345 0.055 0.000 1.230 168 W CB 1.384 30.825 29.460 -0.032 0.000 1.405 168 W HN 0.768 nan 8.180 nan 0.000 0.493 169 N N 4.744 123.118 118.700 -0.543 0.000 2.710 169 N HA -0.353 4.386 4.740 -0.002 0.000 0.249 169 N C -0.040 175.319 175.510 -0.252 0.000 1.059 169 N CA 1.098 53.821 53.050 -0.544 0.000 0.720 169 N CB -0.822 37.126 38.487 -0.899 0.000 0.983 169 N HN 0.703 nan 8.380 nan 0.000 0.544 170 N N -1.479 117.134 118.700 -0.145 0.000 2.878 170 N HA -0.150 4.589 4.740 -0.002 0.000 0.247 170 N C -1.461 173.992 175.510 -0.094 0.000 1.021 170 N CA 1.637 54.615 53.050 -0.119 0.000 0.873 170 N CB -0.496 37.874 38.487 -0.194 0.000 1.128 170 N HN 0.519 nan 8.380 nan 0.000 0.571 171 D N -0.212 120.164 120.400 -0.040 0.000 2.350 171 D HA 0.513 5.152 4.640 -0.002 0.000 0.238 171 D C 0.383 176.607 176.300 -0.126 0.000 0.989 171 D CA -0.430 53.487 54.000 -0.138 0.000 0.921 171 D CB 1.359 42.029 40.800 -0.218 0.000 1.297 171 D HN -0.012 nan 8.370 nan 0.000 0.490 172 I N 1.598 121.916 120.570 -0.419 0.000 2.353 172 I HA 0.223 4.392 4.170 -0.002 0.000 0.293 172 I C -0.718 175.014 176.117 -0.641 0.000 0.992 172 I CA -0.484 60.562 61.300 -0.424 0.000 1.268 172 I CB 0.605 38.274 38.000 -0.553 0.000 1.387 172 I HN 0.136 nan 8.210 nan 0.000 0.478 173 Y N 4.468 124.394 120.300 -0.623 0.000 2.485 173 Y HA 0.644 5.192 4.550 -0.002 0.000 0.345 173 Y C -0.170 175.406 175.900 -0.539 0.000 0.998 173 Y CA -0.910 56.784 58.100 -0.677 0.000 1.059 173 Y CB 1.945 39.748 38.460 -1.095 0.000 1.234 173 Y HN 0.127 nan 8.280 nan 0.000 0.461 174 V N 2.602 122.456 119.914 -0.100 0.000 2.680 174 V HA 0.505 4.624 4.120 -0.002 0.000 0.309 174 V C -0.843 175.377 176.094 0.211 0.000 1.052 174 V CA -1.352 60.982 62.300 0.056 0.000 0.908 174 V CB 2.106 33.977 31.823 0.079 0.000 1.001 174 V HN 0.608 nan 8.190 nan 0.000 0.431 175 K N 3.404 123.949 120.400 0.242 0.000 2.413 175 K HA 0.515 4.834 4.320 -0.002 0.000 0.257 175 K C 0.317 177.063 176.600 0.245 0.000 0.946 175 K CA -0.670 55.761 56.287 0.241 0.000 0.823 175 K CB 1.735 34.340 32.500 0.174 0.000 1.109 175 K HN 0.418 nan 8.250 nan 0.000 0.427 176 I N 1.336 122.059 120.570 0.255 0.000 2.193 176 I HA -0.071 4.098 4.170 -0.002 0.000 0.240 176 I C 0.423 176.668 176.117 0.214 0.000 1.084 176 I CA 1.490 62.918 61.300 0.213 0.000 1.365 176 I CB -0.165 37.962 38.000 0.210 0.000 1.064 176 I HN 0.578 nan 8.210 nan 0.000 0.410 177 E N 0.453 120.753 120.200 0.167 0.000 2.222 177 E HA 0.258 4.607 4.350 -0.002 0.000 0.267 177 E C -1.922 174.659 176.600 -0.031 0.000 0.884 177 E CA -1.934 54.517 56.400 0.086 0.000 0.764 177 E CB 1.687 31.442 29.700 0.091 0.000 1.169 177 E HN -0.084 nan 8.360 nan 0.000 0.413 178 P HA -0.187 nan 4.420 nan 0.000 0.217 178 P C 0.825 178.050 177.300 -0.124 0.000 1.148 178 P CA 1.406 64.365 63.100 -0.237 0.000 0.828 178 P CB 0.237 31.600 31.700 -0.561 0.000 0.783 179 N N -1.796 116.853 118.700 -0.086 0.000 2.336 179 N HA -0.002 4.736 4.740 -0.002 0.000 0.189 179 N C 0.221 175.724 175.510 -0.012 0.000 1.113 179 N CA 0.432 53.465 53.050 -0.028 0.000 0.858 179 N CB -0.440 38.050 38.487 0.005 0.000 0.970 179 N HN 0.034 nan 8.380 nan 0.000 0.471 180 L N 0.947 122.169 121.223 -0.002 0.000 2.387 180 L HA 0.598 4.937 4.340 -0.002 0.000 0.266 180 L C -2.156 174.701 176.870 -0.021 0.000 1.059 180 L CA -2.442 52.400 54.840 0.003 0.000 0.801 180 L CB 0.755 42.837 42.059 0.039 0.000 1.223 180 L HN -0.126 nan 8.230 nan 0.000 0.456 181 P HA 0.077 nan 4.420 nan 0.000 0.266 181 P C -0.646 176.569 177.300 -0.142 0.000 1.195 181 P CA -0.146 62.890 63.100 -0.107 0.000 0.768 181 P CB 0.395 32.005 31.700 -0.150 0.000 0.838 182 S N 2.029 117.696 115.700 -0.056 0.000 2.617 182 S HA 0.394 4.863 4.470 -0.002 0.000 0.269 182 S C -0.753 173.811 174.600 -0.060 0.000 1.292 182 S CA -0.408 57.816 58.200 0.039 0.000 1.010 182 S CB 0.129 63.442 63.200 0.189 0.000 0.944 182 S HN 0.242 nan 8.310 nan 0.000 0.536 183 Y N 0.310 120.638 120.300 0.047 0.000 2.328 183 Y HA 0.464 5.013 4.550 -0.002 0.000 0.337 183 Y C 0.803 176.632 175.900 -0.119 0.000 1.008 183 Y CA -0.834 57.270 58.100 0.007 0.000 1.129 183 Y CB 1.032 39.499 38.460 0.012 0.000 1.185 183 Y HN 0.670 nan 8.280 nan 0.000 0.476 184 R N 3.599 124.051 120.500 -0.080 0.000 2.267 184 R HA 0.233 4.572 4.340 -0.002 0.000 0.319 184 R C 0.204 176.263 176.300 -0.402 0.000 1.067 184 R CA -0.029 55.718 56.100 -0.587 0.000 0.936 184 R CB 0.260 30.055 30.300 -0.842 0.000 1.006 184 R HN 0.763 nan 8.270 nan 0.000 0.452 185 I N 2.276 122.526 120.570 -0.534 0.000 2.867 185 I HA -0.011 4.157 4.170 -0.002 0.000 0.265 185 I C 1.031 176.963 176.117 -0.308 0.000 1.162 185 I CA 0.888 62.000 61.300 -0.315 0.000 1.471 185 I CB -0.548 37.236 38.000 -0.359 0.000 1.123 185 I HN 0.652 nan 8.210 nan 0.000 0.440 186 T N -4.153 110.073 114.554 -0.547 0.000 2.906 186 T HA 0.423 4.772 4.350 -0.002 0.000 0.295 186 T C -0.685 173.706 174.700 -0.516 0.000 1.075 186 T CA -0.512 61.376 62.100 -0.354 0.000 1.005 186 T CB 2.052 70.689 68.868 -0.385 0.000 1.136 186 T HN 0.150 nan 8.240 nan 0.000 0.498 187 W N -0.087 121.104 121.300 -0.181 0.000 2.324 187 W HA 0.225 4.884 4.660 -0.002 0.000 0.316 187 W C 1.896 178.365 176.519 -0.083 0.000 0.927 187 W CA -0.012 57.264 57.345 -0.115 0.000 1.438 187 W CB 0.318 29.728 29.460 -0.084 0.000 1.085 187 W HN 0.906 nan 8.180 nan 0.000 0.532 188 T N -2.357 112.251 114.554 0.089 0.000 3.107 188 T HA 0.260 4.608 4.350 -0.002 0.000 0.249 188 T C 1.236 175.942 174.700 0.009 0.000 1.096 188 T CA 0.238 62.371 62.100 0.054 0.000 1.012 188 T CB -0.170 68.722 68.868 0.041 0.000 0.977 188 T HN 0.014 nan 8.240 nan 0.000 0.527 189 G N 1.295 110.071 108.800 -0.039 0.000 2.305 189 G HA2 0.374 4.333 3.960 -0.002 0.000 0.243 189 G HA3 0.374 4.333 3.960 -0.002 0.000 0.243 189 G C -0.623 174.228 174.900 -0.082 0.000 1.288 189 G CA -0.467 44.588 45.100 -0.075 0.000 0.901 189 G HN 0.506 nan 8.290 nan 0.000 0.516 190 K N 1.952 122.288 120.400 -0.107 0.000 2.581 190 K HA 0.179 4.498 4.320 -0.002 0.000 0.249 190 K C -0.196 176.302 176.600 -0.170 0.000 0.966 190 K CA -0.650 55.573 56.287 -0.105 0.000 0.811 190 K CB 1.615 34.087 32.500 -0.046 0.000 1.223 190 K HN 0.612 nan 8.250 nan 0.000 0.438 191 E N 3.312 123.410 120.200 -0.170 0.000 2.652 191 E HA -0.152 4.197 4.350 -0.002 0.000 0.255 191 E C -0.585 175.930 176.600 -0.141 0.000 0.952 191 E CA 0.990 57.280 56.400 -0.183 0.000 0.947 191 E CB 0.252 29.872 29.700 -0.134 0.000 0.912 191 E HN 0.664 nan 8.360 nan 0.000 0.489 192 D N 2.472 122.761 120.400 -0.184 0.000 3.046 192 D HA -0.240 4.399 4.640 -0.002 0.000 0.210 192 D C 0.436 176.788 176.300 0.087 0.000 1.124 192 D CA 1.520 55.522 54.000 0.003 0.000 0.986 192 D CB -0.925 39.913 40.800 0.064 0.000 1.118 192 D HN 0.531 nan 8.370 nan 0.000 0.416 193 I N -1.138 119.421 120.570 -0.018 0.000 3.814 193 I HA 0.060 4.229 4.170 -0.002 0.000 0.264 193 I C 0.176 176.401 176.117 0.179 0.000 1.145 193 I CA -0.055 61.316 61.300 0.119 0.000 1.375 193 I CB 0.829 38.865 38.000 0.061 0.000 1.638 193 I HN -0.174 nan 8.210 nan 0.000 0.432 194 I N 1.590 122.187 120.570 0.044 0.000 2.339 194 I HA 0.256 4.425 4.170 -0.002 0.000 0.290 194 I C -1.358 174.787 176.117 0.047 0.000 0.994 194 I CA -0.551 60.822 61.300 0.122 0.000 1.191 194 I CB 0.587 38.629 38.000 0.069 0.000 1.343 194 I HN 0.035 nan 8.210 nan 0.000 0.458 195 Y N 4.859 125.250 120.300 0.152 0.000 2.345 195 Y HA 0.384 4.932 4.550 -0.002 0.000 0.331 195 Y C 0.365 176.346 175.900 0.134 0.000 0.959 195 Y CA -0.778 57.416 58.100 0.158 0.000 1.204 195 Y CB 0.996 39.619 38.460 0.271 0.000 1.135 195 Y HN 0.405 nan 8.280 nan 0.000 0.477 196 N N 2.565 121.341 118.700 0.128 0.000 2.485 196 N HA 0.329 5.068 4.740 -0.002 0.000 0.243 196 N C 0.817 176.285 175.510 -0.069 0.000 0.987 196 N CA 0.441 53.491 53.050 -0.001 0.000 0.940 196 N CB 1.697 40.075 38.487 -0.182 0.000 1.122 196 N HN 0.997 nan 8.380 nan 0.000 0.509 197 G N 1.728 110.530 108.800 0.004 0.000 2.159 197 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.256 197 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.256 197 G C 0.097 174.914 174.900 -0.139 0.000 0.977 197 G CA 0.622 45.666 45.100 -0.092 0.000 0.652 197 G HN 0.650 nan 8.290 nan 0.000 0.531 198 I N -2.575 117.994 120.570 -0.002 0.000 2.994 198 I HA 0.810 4.979 4.170 -0.002 0.000 0.306 198 I C 0.217 176.436 176.117 0.170 0.000 1.195 198 I CA -0.760 60.455 61.300 -0.141 0.000 1.001 198 I CB 1.902 39.573 38.000 -0.548 0.000 1.244 198 I HN 0.142 nan 8.210 nan 0.000 0.437 199 T N -0.367 114.211 114.554 0.041 0.000 2.913 199 T HA 0.362 4.711 4.350 -0.002 0.000 0.287 199 T C -0.165 174.313 174.700 -0.370 0.000 1.008 199 T CA -0.663 61.243 62.100 -0.323 0.000 1.067 199 T CB 1.225 70.004 68.868 -0.148 0.000 0.996 199 T HN 0.760 nan 8.240 nan 0.000 0.513 200 D N 0.600 120.470 120.400 -0.883 0.000 2.398 200 D HA -0.005 4.634 4.640 -0.002 0.000 0.264 200 D C 0.900 177.106 176.300 -0.157 0.000 1.263 200 D CA -1.034 52.527 54.000 -0.733 0.000 1.037 200 D CB 0.148 40.500 40.800 -0.747 0.000 1.101 200 D HN 0.709 nan 8.370 nan 0.000 0.551 201 W N -0.076 121.149 121.300 -0.124 0.000 2.355 201 W HA -0.170 4.489 4.660 -0.002 0.000 0.309 201 W C 2.059 178.450 176.519 -0.212 0.000 1.206 201 W CA 2.521 59.794 57.345 -0.121 0.000 1.284 201 W CB -0.237 29.127 29.460 -0.160 0.000 1.145 201 W HN 0.215 nan 8.180 nan 0.000 0.502 202 V N -1.512 118.453 119.914 0.085 0.000 2.379 202 V HA -0.302 3.816 4.120 -0.002 0.000 0.245 202 V C 1.797 177.668 176.094 -0.371 0.000 1.044 202 V CA 1.649 63.864 62.300 -0.142 0.000 1.036 202 V CB -1.783 29.923 31.823 -0.194 0.000 0.664 202 V HN 0.196 nan 8.190 nan 0.000 0.453 203 Y N 1.339 121.373 120.300 -0.444 0.000 2.224 203 Y HA -0.207 4.342 4.550 -0.002 0.000 0.289 203 Y C 2.856 178.470 175.900 -0.477 0.000 1.146 203 Y CA 2.250 59.992 58.100 -0.595 0.000 1.182 203 Y CB -0.193 37.711 38.460 -0.927 0.000 0.983 203 Y HN 0.381 nan 8.280 nan 0.000 0.524 204 E N 0.267 120.319 120.200 -0.247 0.000 2.072 204 E HA -0.277 4.071 4.350 -0.002 0.000 0.191 204 E C 1.929 178.408 176.600 -0.202 0.000 0.985 204 E CA 1.551 57.861 56.400 -0.150 0.000 0.801 204 E CB -0.016 29.633 29.700 -0.084 0.000 0.750 204 E HN 0.425 nan 8.360 nan 0.000 0.452 205 E N -0.200 119.731 120.200 -0.448 0.000 2.250 205 E HA -0.084 4.265 4.350 -0.002 0.000 0.192 205 E C 1.476 177.937 176.600 -0.233 0.000 0.986 205 E CA 0.966 57.120 56.400 -0.409 0.000 0.849 205 E CB 0.363 29.507 29.700 -0.927 0.000 0.797 205 E HN 0.211 nan 8.360 nan 0.000 0.482 206 E N -1.019 119.012 120.200 -0.282 0.000 2.453 206 E HA 0.116 4.465 4.350 -0.002 0.000 0.211 206 E C 1.502 177.965 176.600 -0.228 0.000 0.897 206 E CA 0.363 56.647 56.400 -0.193 0.000 1.063 206 E CB 1.024 30.582 29.700 -0.237 0.000 1.080 206 E HN 0.144 nan 8.360 nan 0.000 0.512 207 V N 0.109 119.811 119.914 -0.353 0.000 2.868 207 V HA 0.019 4.138 4.120 -0.002 0.000 0.227 207 V C 1.490 177.499 176.094 -0.142 0.000 1.136 207 V CA 0.708 62.773 62.300 -0.392 0.000 1.206 207 V CB -0.413 30.941 31.823 -0.781 0.000 0.997 207 V HN 0.008 nan 8.190 nan 0.000 0.505 208 F N 0.960 120.915 119.950 0.007 0.000 2.789 208 F HA 0.280 4.806 4.527 -0.002 0.000 0.300 208 F C 1.516 177.274 175.800 -0.070 0.000 1.132 208 F CA -0.171 57.847 58.000 0.030 0.000 1.404 208 F CB -1.220 37.839 39.000 0.098 0.000 1.114 208 F HN 0.117 nan 8.300 nan 0.000 0.584 209 S N 0.497 116.206 115.700 0.015 0.000 3.550 209 S HA 0.073 4.542 4.470 -0.002 0.000 0.372 209 S C 0.174 174.430 174.600 -0.573 0.000 0.966 209 S CA 0.453 58.538 58.200 -0.193 0.000 1.229 209 S CB -1.610 61.547 63.200 -0.071 0.000 0.917 209 S HN 0.757 nan 8.310 nan 0.000 0.496 210 A N -0.286 122.328 122.820 -0.344 0.000 2.567 210 A HA 0.661 4.979 4.320 -0.002 0.000 0.291 210 A C -0.351 177.224 177.584 -0.015 0.000 1.048 210 A CA -0.512 51.364 52.037 -0.269 0.000 0.661 210 A CB 0.133 19.024 19.000 -0.181 0.000 1.288 210 A HN 0.311 nan 8.150 nan 0.000 0.424 211 Y N 0.873 121.037 120.300 -0.227 0.000 2.448 211 Y HA 0.268 4.817 4.550 -0.002 0.000 0.289 211 Y C 1.563 177.215 175.900 -0.414 0.000 1.114 211 Y CA 0.884 58.854 58.100 -0.216 0.000 1.235 211 Y CB 0.044 38.388 38.460 -0.193 0.000 1.045 211 Y HN 0.660 nan 8.280 nan 0.000 0.554 212 S N 0.376 115.639 115.700 -0.729 0.000 2.562 212 S HA 0.473 4.942 4.470 -0.002 0.000 0.281 212 S C 0.304 174.479 174.600 -0.708 0.000 1.333 212 S CA 0.251 57.776 58.200 -1.125 0.000 1.052 212 S CB 0.474 62.719 63.200 -1.591 0.000 0.884 212 S HN 0.379 nan 8.310 nan 0.000 0.506 213 A N 5.444 127.829 122.820 -0.725 0.000 2.843 213 A HA 0.500 4.819 4.320 -0.002 0.000 0.248 213 A C -0.620 176.333 177.584 -1.051 0.000 0.904 213 A CA -0.448 51.128 52.037 -0.768 0.000 1.091 213 A CB 0.003 19.037 19.000 0.057 0.000 1.208 213 A HN 0.685 nan 8.150 nan 0.000 0.476 214 L N 0.202 120.668 121.223 -1.261 0.000 2.381 214 L HA 0.637 4.976 4.340 -0.002 0.000 0.268 214 L C -1.118 175.238 176.870 -0.857 0.000 0.997 214 L CA -0.606 53.789 54.840 -0.741 0.000 0.818 214 L CB 2.019 43.880 42.059 -0.330 0.000 1.310 214 L HN 0.456 nan 8.230 nan 0.000 0.416 215 W N 1.995 123.342 121.300 0.078 0.000 2.728 215 W HA 0.219 4.878 4.660 -0.002 0.000 0.324 215 W C -1.078 175.624 176.519 0.306 0.000 1.012 215 W CA -1.050 56.446 57.345 0.251 0.000 1.279 215 W CB 1.155 30.819 29.460 0.340 0.000 1.289 215 W HN 0.494 nan 8.180 nan 0.000 0.418 216 W N 2.356 123.835 121.300 0.299 0.000 2.148 216 W HA 0.163 4.822 4.660 -0.002 0.000 0.347 216 W C 1.369 177.678 176.519 -0.351 0.000 1.288 216 W CA 0.606 57.989 57.345 0.062 0.000 1.252 216 W CB 0.639 30.124 29.460 0.041 0.000 1.156 216 W HN 0.179 nan 8.180 nan 0.000 0.580 217 S N 2.121 117.545 115.700 -0.461 0.000 2.603 217 S HA 0.220 4.689 4.470 -0.002 0.000 0.268 217 S C -1.785 172.623 174.600 -0.320 0.000 1.317 217 S CA -1.112 56.426 58.200 -1.103 0.000 1.012 217 S CB 1.281 63.946 63.200 -0.891 0.000 0.926 217 S HN 0.282 nan 8.310 nan 0.000 0.539 218 P HA -0.051 nan 4.420 nan 0.000 0.218 218 P C 1.081 178.350 177.300 -0.052 0.000 1.149 218 P CA 0.895 63.965 63.100 -0.049 0.000 0.817 218 P CB -0.050 31.661 31.700 0.019 0.000 0.785 219 N N -0.895 117.770 118.700 -0.058 0.000 2.166 219 N HA -0.088 4.650 4.740 -0.002 0.000 0.186 219 N C 1.586 177.039 175.510 -0.095 0.000 1.019 219 N CA 1.936 54.951 53.050 -0.058 0.000 0.856 219 N CB -0.690 37.767 38.487 -0.049 0.000 0.993 219 N HN 0.210 nan 8.380 nan 0.000 0.426 220 G N -1.782 106.978 108.800 -0.066 0.000 2.176 220 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.232 220 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.232 220 G C 1.132 176.107 174.900 0.125 0.000 0.986 220 G CA 0.937 45.993 45.100 -0.074 0.000 0.643 220 G HN 0.369 nan 8.290 nan 0.000 0.522 221 T N 0.527 115.074 114.554 -0.012 0.000 2.588 221 T HA 0.165 4.514 4.350 -0.002 0.000 0.261 221 T C 0.979 175.597 174.700 -0.137 0.000 1.069 221 T CA 1.365 63.350 62.100 -0.192 0.000 1.172 221 T CB -0.144 68.449 68.868 -0.458 0.000 0.863 221 T HN 0.259 nan 8.240 nan 0.000 0.408 222 F N 0.774 120.751 119.950 0.045 0.000 2.385 222 F HA 0.499 5.025 4.527 -0.002 0.000 0.336 222 F C 0.159 175.972 175.800 0.021 0.000 1.100 222 F CA -0.977 57.062 58.000 0.065 0.000 1.116 222 F CB 0.631 39.716 39.000 0.142 0.000 1.166 222 F HN 0.029 nan 8.300 nan 0.000 0.511 223 L N 3.206 124.512 121.223 0.139 0.000 2.298 223 L HA 0.701 5.040 4.340 -0.002 0.000 0.284 223 L C -0.693 176.244 176.870 0.111 0.000 1.013 223 L CA -0.583 54.165 54.840 -0.152 0.000 0.824 223 L CB 0.975 42.786 42.059 -0.414 0.000 1.221 223 L HN 0.789 nan 8.230 nan 0.000 0.418 224 A N 5.051 128.012 122.820 0.234 0.000 2.317 224 A HA 0.712 5.031 4.320 -0.002 0.000 0.327 224 A C -1.411 176.255 177.584 0.136 0.000 1.178 224 A CA -0.365 51.720 52.037 0.081 0.000 0.817 224 A CB 0.996 20.099 19.000 0.171 0.000 1.189 224 A HN 0.687 nan 8.150 nan 0.000 0.489 225 Y N -0.637 119.528 120.300 -0.225 0.000 2.571 225 Y HA 0.798 5.346 4.550 -0.002 0.000 0.341 225 Y C -0.231 175.602 175.900 -0.111 0.000 1.076 225 Y CA -1.024 57.025 58.100 -0.085 0.000 1.029 225 Y CB 0.938 39.312 38.460 -0.143 0.000 1.308 225 Y HN 0.888 nan 8.280 nan 0.000 0.461 226 A N 2.647 125.628 122.820 0.268 0.000 2.281 226 A HA 0.724 5.043 4.320 -0.002 0.000 0.329 226 A C -1.082 176.516 177.584 0.023 0.000 1.122 226 A CA -0.829 51.250 52.037 0.070 0.000 0.850 226 A CB 1.655 20.680 19.000 0.041 0.000 1.207 226 A HN 0.842 nan 8.150 nan 0.000 0.495 227 Q N 0.594 120.276 119.800 -0.197 0.000 2.271 227 Q HA 0.579 4.918 4.340 -0.002 0.000 0.268 227 Q C -2.144 173.683 176.000 -0.289 0.000 1.021 227 Q CA -0.313 55.465 55.803 -0.041 0.000 0.802 227 Q CB 1.255 30.176 28.738 0.305 0.000 1.282 227 Q HN 0.613 nan 8.270 nan 0.000 0.431 228 F N 1.946 121.988 119.950 0.154 0.000 2.492 228 F HA 0.498 5.024 4.527 -0.002 0.000 0.327 228 F C 0.397 176.318 175.800 0.201 0.000 1.079 228 F CA -0.934 57.110 58.000 0.073 0.000 0.967 228 F CB 1.508 40.428 39.000 -0.134 0.000 1.169 228 F HN 0.415 nan 8.300 nan 0.000 0.472 229 N N 1.216 120.117 118.700 0.335 0.000 2.491 229 N HA 0.247 4.985 4.740 -0.002 0.000 0.274 229 N C -1.144 174.519 175.510 0.255 0.000 1.023 229 N CA -0.416 52.799 53.050 0.275 0.000 0.902 229 N CB 1.230 39.831 38.487 0.190 0.000 1.267 229 N HN 0.555 nan 8.380 nan 0.000 0.503 230 D N 1.405 121.976 120.400 0.285 0.000 2.424 230 D HA 0.148 4.786 4.640 -0.002 0.000 0.220 230 D C 1.168 177.572 176.300 0.175 0.000 1.150 230 D CA 0.117 54.259 54.000 0.238 0.000 0.831 230 D CB 0.574 41.561 40.800 0.311 0.000 0.981 230 D HN 0.486 nan 8.370 nan 0.000 0.500 231 T N 0.368 115.010 114.554 0.147 0.000 2.620 231 T HA -0.237 4.112 4.350 -0.002 0.000 0.267 231 T C 1.428 176.179 174.700 0.086 0.000 1.044 231 T CA 1.403 63.566 62.100 0.105 0.000 1.161 231 T CB -0.069 68.851 68.868 0.087 0.000 0.862 231 T HN 0.317 nan 8.240 nan 0.000 0.438 232 E N 0.316 120.565 120.200 0.082 0.000 2.474 232 E HA 0.144 4.493 4.350 -0.002 0.000 0.195 232 E C -0.265 176.376 176.600 0.068 0.000 1.039 232 E CA -0.238 56.201 56.400 0.064 0.000 0.881 232 E CB 0.453 30.185 29.700 0.052 0.000 0.970 232 E HN 0.236 nan 8.360 nan 0.000 0.486 233 V N 3.654 123.621 119.914 0.088 0.000 2.508 233 V HA 0.083 4.202 4.120 -0.002 0.000 0.281 233 V C -1.984 174.158 176.094 0.080 0.000 1.041 233 V CA -1.433 60.921 62.300 0.089 0.000 1.016 233 V CB 0.291 32.182 31.823 0.113 0.000 0.984 233 V HN 0.029 nan 8.190 nan 0.000 0.478 234 P HA 0.274 nan 4.420 nan 0.000 0.272 234 P C -0.757 176.574 177.300 0.052 0.000 1.240 234 P CA -0.297 62.834 63.100 0.052 0.000 0.791 234 P CB 0.511 32.239 31.700 0.046 0.000 0.978 235 L N 1.533 122.765 121.223 0.016 0.000 2.307 235 L HA 0.465 4.804 4.340 -0.002 0.000 0.284 235 L C 0.279 177.100 176.870 -0.081 0.000 1.023 235 L CA -1.052 53.780 54.840 -0.014 0.000 0.810 235 L CB 1.228 43.273 42.059 -0.023 0.000 1.231 235 L HN 0.292 nan 8.230 nan 0.000 0.423 236 I N 2.508 122.985 120.570 -0.156 0.000 2.472 236 I HA 0.246 4.415 4.170 -0.002 0.000 0.290 236 I C -0.289 175.682 176.117 -0.244 0.000 1.016 236 I CA 0.372 61.483 61.300 -0.316 0.000 1.348 236 I CB 0.893 38.453 38.000 -0.734 0.000 1.417 236 I HN 0.580 nan 8.210 nan 0.000 0.521 237 E N 6.813 126.886 120.200 -0.211 0.000 2.248 237 E HA 0.526 4.874 4.350 -0.002 0.000 0.267 237 E C -1.819 174.718 176.600 -0.104 0.000 0.877 237 E CA -0.599 55.678 56.400 -0.205 0.000 0.759 237 E CB 2.178 31.785 29.700 -0.154 0.000 1.182 237 E HN 0.559 nan 8.360 nan 0.000 0.418 238 Y N -1.888 118.321 120.300 -0.153 0.000 2.609 238 Y HA 0.531 5.080 4.550 -0.002 0.000 0.336 238 Y C -0.823 174.996 175.900 -0.135 0.000 1.129 238 Y CA -1.268 56.744 58.100 -0.146 0.000 1.040 238 Y CB 0.727 39.104 38.460 -0.139 0.000 1.310 238 Y HN 0.216 nan 8.280 nan 0.000 0.460 239 S N 1.931 117.615 115.700 -0.026 0.000 2.565 239 S HA 0.502 4.971 4.470 -0.002 0.000 0.274 239 S C -1.379 173.063 174.600 -0.264 0.000 1.309 239 S CA -0.370 57.665 58.200 -0.274 0.000 1.043 239 S CB 0.466 63.372 63.200 -0.490 0.000 0.939 239 S HN 0.561 nan 8.310 nan 0.000 0.504 240 F N 2.289 121.966 119.950 -0.455 0.000 2.539 240 F HA 0.431 4.957 4.527 -0.002 0.000 0.328 240 F C -0.442 175.156 175.800 -0.338 0.000 1.148 240 F CA -0.842 56.992 58.000 -0.277 0.000 0.940 240 F CB 0.808 39.772 39.000 -0.060 0.000 1.194 240 F HN 0.623 nan 8.300 nan 0.000 0.438 241 Y N 2.781 122.859 120.300 -0.370 0.000 2.490 241 Y HA 0.171 4.720 4.550 -0.002 0.000 0.285 241 Y C 1.632 177.460 175.900 -0.121 0.000 1.117 241 Y CA 0.975 58.962 58.100 -0.188 0.000 1.262 241 Y CB -0.579 37.760 38.460 -0.201 0.000 1.043 241 Y HN 0.733 nan 8.280 nan 0.000 0.553 242 S N -0.186 115.435 115.700 -0.133 0.000 3.460 242 S HA -0.219 4.249 4.470 -0.002 0.000 0.637 242 S C -0.465 174.181 174.600 0.078 0.000 2.505 242 S CA 0.134 58.409 58.200 0.124 0.000 2.686 242 S CB -0.966 62.397 63.200 0.271 0.000 0.330 242 S HN 0.478 nan 8.310 nan 0.000 1.795 243 D N 1.457 121.920 120.400 0.106 0.000 2.429 243 D HA 0.064 4.703 4.640 -0.002 0.000 0.233 243 D C 1.443 177.774 176.300 0.052 0.000 1.202 243 D CA 0.558 54.600 54.000 0.069 0.000 0.879 243 D CB 0.062 40.904 40.800 0.070 0.000 1.212 243 D HN 0.615 nan 8.370 nan 0.000 0.465 244 E N 0.132 120.351 120.200 0.032 0.000 2.171 244 E HA -0.221 4.128 4.350 -0.002 0.000 0.197 244 E C 1.567 178.180 176.600 0.022 0.000 0.997 244 E CA 1.376 57.786 56.400 0.017 0.000 0.810 244 E CB 0.132 29.837 29.700 0.009 0.000 0.738 244 E HN 0.459 nan 8.360 nan 0.000 0.467 245 S N -0.090 115.630 115.700 0.032 0.000 2.515 245 S HA -0.023 4.446 4.470 -0.002 0.000 0.231 245 S C 0.999 175.624 174.600 0.043 0.000 0.987 245 S CA -0.027 58.192 58.200 0.032 0.000 0.936 245 S CB -0.026 63.195 63.200 0.035 0.000 0.766 245 S HN 0.182 nan 8.310 nan 0.000 0.528 246 L N 2.305 123.562 121.223 0.057 0.000 2.369 246 L HA 0.183 4.521 4.340 -0.002 0.000 0.279 246 L C 1.608 178.514 176.870 0.060 0.000 1.108 246 L CA -0.136 54.751 54.840 0.078 0.000 0.852 246 L CB 1.208 43.330 42.059 0.105 0.000 1.169 246 L HN 0.362 nan 8.230 nan 0.000 0.452 247 Q N 4.157 123.999 119.800 0.071 0.000 2.046 247 Q HA -0.114 4.225 4.340 -0.002 0.000 0.200 247 Q C -0.643 175.297 176.000 -0.099 0.000 0.975 247 Q CA 1.484 57.284 55.803 -0.005 0.000 0.836 247 Q CB 0.167 28.939 28.738 0.058 0.000 0.896 247 Q HN 0.583 nan 8.270 nan 0.000 0.428 248 Y N 0.706 121.022 120.300 0.027 0.000 2.341 248 Y HA 0.404 4.952 4.550 -0.002 0.000 0.338 248 Y C -2.072 173.844 175.900 0.026 0.000 0.965 248 Y CA -3.065 55.048 58.100 0.023 0.000 1.108 248 Y CB 1.314 39.777 38.460 0.006 0.000 1.180 248 Y HN 0.163 nan 8.280 nan 0.000 0.458 249 P HA 0.043 nan 4.420 nan 0.000 0.267 249 P C -0.701 176.619 177.300 0.035 0.000 1.200 249 P CA -0.445 62.691 63.100 0.061 0.000 0.772 249 P CB 0.756 32.443 31.700 -0.021 0.000 0.855 250 K N 1.140 121.548 120.400 0.013 0.000 2.130 250 K HA 0.338 4.657 4.320 -0.002 0.000 0.268 250 K C -0.586 175.974 176.600 -0.068 0.000 0.983 250 K CA -0.335 55.952 56.287 0.000 0.000 0.893 250 K CB 0.568 33.095 32.500 0.045 0.000 1.066 250 K HN 0.315 nan 8.250 nan 0.000 0.450 251 T N 3.169 117.665 114.554 -0.097 0.000 2.733 251 T HA 0.215 4.563 4.350 -0.002 0.000 0.294 251 T C -0.563 174.010 174.700 -0.213 0.000 0.956 251 T CA -0.551 61.454 62.100 -0.159 0.000 0.987 251 T CB 0.872 69.659 68.868 -0.134 0.000 0.920 251 T HN 0.269 nan 8.240 nan 0.000 0.470 252 V N 5.745 125.444 119.914 -0.360 0.000 2.546 252 V HA 0.469 4.587 4.120 -0.002 0.000 0.284 252 V C 0.390 176.207 176.094 -0.462 0.000 1.050 252 V CA -0.403 61.631 62.300 -0.444 0.000 0.981 252 V CB 1.096 32.488 31.823 -0.719 0.000 0.990 252 V HN 0.723 nan 8.190 nan 0.000 0.474 253 R N 3.094 123.448 120.500 -0.244 0.000 2.514 253 R HA 0.723 5.062 4.340 -0.002 0.000 0.296 253 R C -1.757 174.524 176.300 -0.032 0.000 1.012 253 R CA -0.476 55.531 56.100 -0.156 0.000 0.897 253 R CB 2.271 32.511 30.300 -0.099 0.000 1.184 253 R HN 0.524 nan 8.270 nan 0.000 0.440 254 V N 3.712 123.616 119.914 -0.016 0.000 2.709 254 V HA 0.433 4.552 4.120 -0.002 0.000 0.308 254 V C -2.435 173.703 176.094 0.073 0.000 1.062 254 V CA -2.469 59.890 62.300 0.098 0.000 0.901 254 V CB 2.392 34.264 31.823 0.082 0.000 1.003 254 V HN 0.605 nan 8.190 nan 0.000 0.425 255 P HA 0.270 nan 4.420 nan 0.000 0.276 255 P C -1.445 175.952 177.300 0.162 0.000 1.253 255 P CA 0.153 63.347 63.100 0.156 0.000 0.766 255 P CB -0.066 31.760 31.700 0.210 0.000 0.845 256 Y N 6.083 126.354 120.300 -0.048 0.000 2.294 256 Y HA 0.335 4.883 4.550 -0.002 0.000 0.329 256 Y C -2.802 173.069 175.900 -0.048 0.000 1.135 256 Y CA -2.934 55.095 58.100 -0.118 0.000 1.213 256 Y CB 1.510 39.778 38.460 -0.320 0.000 1.141 256 Y HN 0.283 nan 8.280 nan 0.000 0.446 257 P HA 0.199 nan 4.420 nan 0.000 0.274 257 P C -0.676 176.645 177.300 0.036 0.000 1.291 257 P CA 0.080 63.199 63.100 0.032 0.000 0.815 257 P CB 0.820 32.517 31.700 -0.005 0.000 0.897 258 K N 2.041 122.556 120.400 0.192 0.000 2.120 258 K HA 0.452 4.770 4.320 -0.002 0.000 0.245 258 K C 0.614 177.297 176.600 0.139 0.000 1.024 258 K CA -0.686 55.740 56.287 0.232 0.000 0.906 258 K CB 0.498 33.161 32.500 0.272 0.000 1.051 258 K HN 0.414 nan 8.250 nan 0.000 0.491 259 A N 0.762 123.686 122.820 0.175 0.000 2.561 259 A HA 0.274 4.593 4.320 -0.002 0.000 0.251 259 A C 1.126 178.745 177.584 0.058 0.000 1.062 259 A CA 0.963 53.090 52.037 0.150 0.000 0.761 259 A CB -1.194 17.972 19.000 0.277 0.000 0.986 259 A HN 0.903 nan 8.150 nan 0.000 0.510 260 G N 0.753 109.577 108.800 0.040 0.000 2.143 260 G HA2 0.152 4.111 3.960 -0.002 0.000 0.249 260 G HA3 0.152 4.111 3.960 -0.002 0.000 0.249 260 G C 0.534 175.438 174.900 0.007 0.000 0.981 260 G CA 0.660 45.760 45.100 -0.001 0.000 0.665 260 G HN 2.103 nan 8.290 nan 0.000 0.528 261 A N -0.831 122.007 122.820 0.031 0.000 2.298 261 A HA 0.838 5.157 4.320 -0.002 0.000 0.302 261 A C 0.665 178.268 177.584 0.032 0.000 1.177 261 A CA 0.081 52.140 52.037 0.035 0.000 0.912 261 A CB 0.926 19.962 19.000 0.059 0.000 1.331 261 A HN 1.104 nan 8.150 nan 0.000 0.504 262 V N 1.989 121.924 119.914 0.035 0.000 2.479 262 V HA 0.039 4.158 4.120 -0.002 0.000 0.281 262 V C 0.532 176.655 176.094 0.048 0.000 1.031 262 V CA 0.203 62.523 62.300 0.033 0.000 1.038 262 V CB -0.349 31.496 31.823 0.037 0.000 0.981 262 V HN 0.846 nan 8.190 nan 0.000 0.478 263 N N 6.356 125.081 118.700 0.043 0.000 2.434 263 N HA 0.415 5.154 4.740 -0.002 0.000 0.266 263 N C -2.357 173.215 175.510 0.103 0.000 1.223 263 N CA -1.186 51.910 53.050 0.077 0.000 0.972 263 N CB 0.957 39.489 38.487 0.074 0.000 1.207 263 N HN 0.462 nan 8.380 nan 0.000 0.525 264 P HA 0.077 nan 4.420 nan 0.000 0.274 264 P C -0.873 176.555 177.300 0.213 0.000 1.256 264 P CA -0.136 63.095 63.100 0.219 0.000 0.795 264 P CB 0.632 32.517 31.700 0.308 0.000 1.038 265 T N -2.752 111.916 114.554 0.191 0.000 2.942 265 T HA 0.611 4.960 4.350 -0.002 0.000 0.289 265 T C -0.446 174.353 174.700 0.165 0.000 1.044 265 T CA -0.890 61.282 62.100 0.120 0.000 1.023 265 T CB 1.513 70.423 68.868 0.069 0.000 1.123 265 T HN 0.343 nan 8.240 nan 0.000 0.512 266 V N 0.325 120.322 119.914 0.138 0.000 2.841 266 V HA 0.746 4.865 4.120 -0.002 0.000 0.310 266 V C -1.530 174.639 176.094 0.125 0.000 1.090 266 V CA -0.789 61.560 62.300 0.082 0.000 0.930 266 V CB 2.043 33.958 31.823 0.154 0.000 1.014 266 V HN 1.010 nan 8.190 nan 0.000 0.425 267 K N 4.480 124.891 120.400 0.019 0.000 2.435 267 K HA 0.591 4.910 4.320 -0.002 0.000 0.251 267 K C -1.982 174.535 176.600 -0.137 0.000 0.954 267 K CA -0.522 55.736 56.287 -0.047 0.000 0.820 267 K CB 2.770 35.224 32.500 -0.076 0.000 1.292 267 K HN 0.556 nan 8.250 nan 0.000 0.436 268 F N 2.643 122.285 119.950 -0.513 0.000 2.518 268 F HA 0.542 5.068 4.527 -0.002 0.000 0.323 268 F C -1.539 173.767 175.800 -0.823 0.000 1.129 268 F CA -0.657 57.044 58.000 -0.498 0.000 0.920 268 F CB 0.808 39.635 39.000 -0.289 0.000 1.160 268 F HN 0.377 nan 8.300 nan 0.000 0.440 269 F N 4.179 123.446 119.950 -1.140 0.000 2.593 269 F HA 0.789 5.315 4.527 -0.002 0.000 0.320 269 F C -0.892 174.303 175.800 -1.008 0.000 1.060 269 F CA -1.253 56.177 58.000 -0.950 0.000 0.940 269 F CB 2.114 40.480 39.000 -1.057 0.000 1.268 269 F HN 0.094 nan 8.300 nan 0.000 0.475 270 V N 2.537 122.267 119.914 -0.306 0.000 2.569 270 V HA 0.516 4.635 4.120 -0.002 0.000 0.301 270 V C -0.920 175.291 176.094 0.194 0.000 1.044 270 V CA -0.780 61.433 62.300 -0.144 0.000 0.874 270 V CB 1.792 33.404 31.823 -0.351 0.000 1.002 270 V HN 0.544 nan 8.190 nan 0.000 0.424 271 V N 3.305 123.372 119.914 0.255 0.000 2.547 271 V HA 0.464 4.582 4.120 -0.002 0.000 0.299 271 V C 0.207 176.511 176.094 0.349 0.000 1.040 271 V CA -0.833 61.638 62.300 0.286 0.000 0.913 271 V CB 2.056 33.984 31.823 0.175 0.000 0.992 271 V HN 0.855 nan 8.190 nan 0.000 0.449 272 N N 2.280 121.152 118.700 0.287 0.000 2.402 272 N HA 0.070 4.809 4.740 -0.002 0.000 0.252 272 N C 0.821 176.314 175.510 -0.028 0.000 1.118 272 N CA 0.301 53.380 53.050 0.048 0.000 0.945 272 N CB 1.439 39.933 38.487 0.012 0.000 1.147 272 N HN 0.727 nan 8.380 nan 0.000 0.495 273 T N 1.859 116.382 114.554 -0.051 0.000 3.160 273 T HA 0.022 4.371 4.350 -0.002 0.000 0.257 273 T C 0.479 175.136 174.700 -0.072 0.000 1.147 273 T CA 0.515 62.600 62.100 -0.024 0.000 1.064 273 T CB 0.120 69.066 68.868 0.130 0.000 0.949 273 T HN 0.458 nan 8.240 nan 0.000 0.526 274 D N 0.697 121.028 120.400 -0.115 0.000 2.346 274 D HA 0.059 4.698 4.640 -0.002 0.000 0.206 274 D C 1.374 177.616 176.300 -0.097 0.000 1.001 274 D CA 0.404 54.340 54.000 -0.106 0.000 0.871 274 D CB 0.272 40.997 40.800 -0.125 0.000 0.943 274 D HN 0.442 nan 8.370 nan 0.000 0.518 275 S N 0.109 115.753 115.700 -0.093 0.000 2.526 275 S HA 0.324 4.793 4.470 -0.002 0.000 0.245 275 S C 0.353 174.904 174.600 -0.082 0.000 1.103 275 S CA -0.566 57.597 58.200 -0.060 0.000 1.095 275 S CB -0.183 63.009 63.200 -0.014 0.000 0.826 275 S HN -0.012 nan 8.310 nan 0.000 0.468 276 L N 1.859 122.966 121.223 -0.193 0.000 2.357 276 L HA 0.704 5.043 4.340 -0.002 0.000 0.273 276 L C 0.410 177.171 176.870 -0.182 0.000 1.080 276 L CA -0.394 54.269 54.840 -0.294 0.000 0.803 276 L CB 1.700 43.299 42.059 -0.766 0.000 1.174 276 L HN 0.422 nan 8.230 nan 0.000 0.443 277 S N -0.476 115.250 115.700 0.044 0.000 2.599 277 S HA 0.376 4.845 4.470 -0.002 0.000 0.287 277 S C 0.573 175.411 174.600 0.397 0.000 1.105 277 S CA -0.186 58.148 58.200 0.224 0.000 0.899 277 S CB 1.892 65.167 63.200 0.125 0.000 1.100 277 S HN 0.623 nan 8.310 nan 0.000 0.482 278 S N 1.780 117.672 115.700 0.320 0.000 2.436 278 S HA 0.003 4.472 4.470 -0.002 0.000 0.228 278 S C 1.641 176.320 174.600 0.132 0.000 1.014 278 S CA 0.824 59.130 58.200 0.177 0.000 0.950 278 S CB -0.496 62.743 63.200 0.064 0.000 0.784 278 S HN 0.514 nan 8.310 nan 0.000 0.504 279 V N 1.625 121.608 119.914 0.115 0.000 2.346 279 V HA 0.012 4.131 4.120 -0.002 0.000 0.244 279 V C 1.253 177.392 176.094 0.075 0.000 1.037 279 V CA 1.321 63.669 62.300 0.079 0.000 1.029 279 V CB -0.543 31.317 31.823 0.061 0.000 0.663 279 V HN 0.450 nan 8.190 nan 0.000 0.454 280 T N 0.598 115.204 114.554 0.086 0.000 2.928 280 T HA 0.278 4.627 4.350 -0.002 0.000 0.284 280 T C 0.023 174.782 174.700 0.098 0.000 1.008 280 T CA -0.418 61.723 62.100 0.069 0.000 1.057 280 T CB 0.812 69.715 68.868 0.057 0.000 1.018 280 T HN 0.194 nan 8.240 nan 0.000 0.493 281 N N 0.967 119.710 118.700 0.071 0.000 2.445 281 N HA 0.429 5.168 4.740 -0.002 0.000 0.264 281 N C -0.057 175.519 175.510 0.110 0.000 1.227 281 N CA -0.347 52.769 53.050 0.111 0.000 0.963 281 N CB 0.830 39.336 38.487 0.033 0.000 1.188 281 N HN 0.749 nan 8.380 nan 0.000 0.491 282 A N 0.545 123.450 122.820 0.142 0.000 2.462 282 A HA 0.224 4.542 4.320 -0.002 0.000 0.243 282 A C 0.100 177.738 177.584 0.089 0.000 1.076 282 A CA 0.145 52.240 52.037 0.096 0.000 0.773 282 A CB -0.072 18.972 19.000 0.074 0.000 1.010 282 A HN 0.513 nan 8.150 nan 0.000 0.493 283 T N 2.985 117.593 114.554 0.091 0.000 2.762 283 T HA 0.387 4.736 4.350 -0.002 0.000 0.303 283 T C 0.058 174.844 174.700 0.143 0.000 0.977 283 T CA 0.118 62.282 62.100 0.108 0.000 0.961 283 T CB 0.301 69.237 68.868 0.113 0.000 0.944 283 T HN 0.541 nan 8.240 nan 0.000 0.481 284 S N 4.075 119.856 115.700 0.136 0.000 2.442 284 S HA 0.475 4.943 4.470 -0.002 0.000 0.297 284 S C 0.048 174.803 174.600 0.258 0.000 1.131 284 S CA -0.803 57.503 58.200 0.176 0.000 1.092 284 S CB 0.483 63.719 63.200 0.060 0.000 0.998 284 S HN 0.493 nan 8.310 nan 0.000 0.478 285 I N 3.335 124.079 120.570 0.290 0.000 2.321 285 I HA 0.277 4.446 4.170 -0.002 0.000 0.291 285 I C 0.525 176.770 176.117 0.215 0.000 0.998 285 I CA -0.340 61.135 61.300 0.292 0.000 1.227 285 I CB 1.099 39.326 38.000 0.379 0.000 1.368 285 I HN 0.670 nan 8.210 nan 0.000 0.466 286 Q N 6.094 125.987 119.800 0.155 0.000 2.327 286 Q HA 0.437 4.776 4.340 -0.002 0.000 0.254 286 Q C -1.005 174.924 176.000 -0.118 0.000 0.952 286 Q CA -0.232 55.449 55.803 -0.202 0.000 0.884 286 Q CB 1.248 29.845 28.738 -0.235 0.000 1.224 286 Q HN 0.550 nan 8.270 nan 0.000 0.422 287 I N 4.002 124.480 120.570 -0.154 0.000 2.382 287 I HA 0.199 4.368 4.170 -0.002 0.000 0.285 287 I C 0.264 176.363 176.117 -0.030 0.000 1.007 287 I CA -0.772 60.516 61.300 -0.019 0.000 1.142 287 I CB 1.449 39.480 38.000 0.051 0.000 1.289 287 I HN 0.714 nan 8.210 nan 0.000 0.453 288 T N 3.004 117.513 114.554 -0.076 0.000 2.898 288 T HA 0.573 4.922 4.350 -0.002 0.000 0.301 288 T C 0.444 174.985 174.700 -0.266 0.000 1.049 288 T CA -0.748 61.260 62.100 -0.152 0.000 1.095 288 T CB 1.508 70.284 68.868 -0.154 0.000 0.976 288 T HN 0.591 nan 8.240 nan 0.000 0.539 289 A N 3.004 125.472 122.820 -0.588 0.000 2.346 289 A HA 0.598 4.917 4.320 -0.002 0.000 0.252 289 A C -2.162 174.961 177.584 -0.767 0.000 1.089 289 A CA -1.619 49.676 52.037 -1.236 0.000 0.797 289 A CB -0.886 16.879 19.000 -2.058 0.000 1.047 289 A HN 0.748 nan 8.150 nan 0.000 0.494 290 P HA 0.188 nan 4.420 nan 0.000 0.269 290 P C 0.705 177.781 177.300 -0.373 0.000 1.215 290 P CA 0.654 63.501 63.100 -0.421 0.000 0.780 290 P CB 0.608 32.111 31.700 -0.328 0.000 0.898 291 A N 2.420 125.099 122.820 -0.235 0.000 1.940 291 A HA -0.204 4.115 4.320 -0.002 0.000 0.219 291 A C 2.120 179.597 177.584 -0.179 0.000 1.176 291 A CA 2.347 54.272 52.037 -0.188 0.000 0.631 291 A CB -1.670 17.255 19.000 -0.125 0.000 0.814 291 A HN 0.614 nan 8.150 nan 0.000 0.446 292 S N -1.644 113.967 115.700 -0.149 0.000 2.555 292 S HA -0.005 4.463 4.470 -0.002 0.000 0.230 292 S C 1.632 176.149 174.600 -0.138 0.000 0.978 292 S CA 1.243 59.379 58.200 -0.106 0.000 0.934 292 S CB -0.277 62.921 63.200 -0.004 0.000 0.766 292 S HN 0.383 nan 8.310 nan 0.000 0.533 293 M N 0.051 119.492 119.600 -0.265 0.000 2.545 293 M HA 0.337 4.816 4.480 -0.002 0.000 0.264 293 M C 1.308 177.376 176.300 -0.386 0.000 1.155 293 M CA 0.422 55.501 55.300 -0.368 0.000 1.162 293 M CB -1.042 31.145 32.600 -0.689 0.000 1.330 293 M HN 0.325 nan 8.290 nan 0.000 0.479 294 L N 0.632 121.632 121.223 -0.372 0.000 2.456 294 L HA -0.040 4.298 4.340 -0.002 0.000 0.224 294 L C 2.124 178.950 176.870 -0.072 0.000 1.148 294 L CA 1.117 55.828 54.840 -0.216 0.000 0.825 294 L CB -1.105 40.829 42.059 -0.207 0.000 0.937 294 L HN 0.214 nan 8.230 nan 0.000 0.450 295 I N -1.278 119.242 120.570 -0.083 0.000 2.163 295 I HA -0.191 3.978 4.170 -0.002 0.000 0.243 295 I C 1.464 177.566 176.117 -0.025 0.000 1.085 295 I CA 1.334 62.599 61.300 -0.058 0.000 1.347 295 I CB -0.234 37.719 38.000 -0.079 0.000 1.044 295 I HN 0.390 nan 8.210 nan 0.000 0.408 296 G N -1.264 107.538 108.800 0.003 0.000 3.135 296 G HA2 0.261 4.220 3.960 -0.002 0.000 0.278 296 G HA3 0.261 4.220 3.960 -0.002 0.000 0.278 296 G C -1.552 173.367 174.900 0.032 0.000 1.302 296 G CA -0.408 44.692 45.100 0.000 0.000 0.880 296 G HN -0.100 nan 8.290 nan 0.000 0.574 297 D N 0.619 120.988 120.400 -0.052 0.000 2.389 297 D HA 0.503 5.142 4.640 -0.002 0.000 0.247 297 D C 0.052 176.237 176.300 -0.191 0.000 1.128 297 D CA 0.611 54.505 54.000 -0.177 0.000 0.884 297 D CB 0.955 41.641 40.800 -0.190 0.000 1.194 297 D HN 0.561 nan 8.370 nan 0.000 0.441 298 H N -1.223 117.704 119.070 -0.239 0.000 2.990 298 H HA 0.606 5.160 4.556 -0.002 0.000 0.343 298 H C -1.505 173.672 175.328 -0.252 0.000 1.270 298 H CA -0.960 54.947 56.048 -0.235 0.000 1.118 298 H CB 0.419 30.156 29.762 -0.042 0.000 1.861 298 H HN 0.238 nan 8.280 nan 0.000 0.544 299 Y N -0.204 120.334 120.300 0.398 0.000 2.562 299 Y HA 0.383 4.932 4.550 -0.002 0.000 0.343 299 Y C -0.499 175.694 175.900 0.489 0.000 1.025 299 Y CA -1.316 57.018 58.100 0.389 0.000 1.082 299 Y CB 1.951 40.472 38.460 0.101 0.000 1.264 299 Y HN 0.643 nan 8.280 nan 0.000 0.478 300 L N 1.774 123.347 121.223 0.584 0.000 2.260 300 L HA 0.307 4.646 4.340 -0.002 0.000 0.289 300 L C -0.279 176.700 176.870 0.182 0.000 1.057 300 L CA -0.065 54.798 54.840 0.038 0.000 0.811 300 L CB 0.410 42.409 42.059 -0.101 0.000 1.184 300 L HN 0.970 nan 8.230 nan 0.000 0.429 301 C N 2.738 122.049 119.300 0.018 0.000 2.543 301 C HA 0.245 4.704 4.460 -0.002 0.000 0.289 301 C C 0.524 175.626 174.990 0.186 0.000 1.368 301 C CA 0.116 59.197 59.018 0.106 0.000 1.778 301 C CB -0.232 27.529 27.740 0.036 0.000 2.155 301 C HN 0.862 nan 8.230 nan 0.000 0.529 302 D N -0.978 119.359 120.400 -0.103 0.000 2.671 302 D HA 0.566 5.205 4.640 -0.002 0.000 0.232 302 D C -1.352 174.626 176.300 -0.537 0.000 1.114 302 D CA -0.029 53.849 54.000 -0.203 0.000 0.858 302 D CB 1.816 42.514 40.800 -0.170 0.000 1.544 302 D HN -0.026 nan 8.370 nan 0.000 0.471 303 V N 2.347 121.825 119.914 -0.727 0.000 2.531 303 V HA 0.661 4.779 4.120 -0.002 0.000 0.301 303 V C -0.488 175.138 176.094 -0.781 0.000 1.034 303 V CA -0.499 61.157 62.300 -1.074 0.000 0.865 303 V CB 1.938 32.570 31.823 -1.985 0.000 0.995 303 V HN 0.705 nan 8.190 nan 0.000 0.424 304 T N 3.471 117.668 114.554 -0.595 0.000 3.109 304 T HA 0.346 4.694 4.350 -0.002 0.000 0.311 304 T C -1.039 173.472 174.700 -0.315 0.000 1.011 304 T CA -0.470 61.451 62.100 -0.299 0.000 1.026 304 T CB 0.879 69.679 68.868 -0.113 0.000 1.047 304 T HN 0.530 nan 8.240 nan 0.000 0.448 305 W N 2.275 123.485 121.300 -0.150 0.000 2.266 305 W HA 0.504 5.163 4.660 -0.002 0.000 0.317 305 W C 1.117 177.500 176.519 -0.227 0.000 1.310 305 W CA -0.401 56.855 57.345 -0.148 0.000 1.207 305 W CB 0.630 30.088 29.460 -0.003 0.000 1.199 305 W HN 0.877 nan 8.180 nan 0.000 0.544 306 A N 2.250 124.949 122.820 -0.201 0.000 1.887 306 A HA 0.182 4.500 4.320 -0.002 0.000 0.210 306 A C 0.948 178.493 177.584 -0.065 0.000 1.221 306 A CA 1.586 53.332 52.037 -0.486 0.000 0.635 306 A CB -0.418 17.932 19.000 -1.083 0.000 0.881 306 A HN 0.523 nan 8.150 nan 0.000 0.456 307 T N -5.493 109.103 114.554 0.071 0.000 2.696 307 T HA 0.350 4.699 4.350 -0.002 0.000 0.291 307 T C 0.175 175.025 174.700 0.249 0.000 1.095 307 T CA -0.402 61.785 62.100 0.145 0.000 1.026 307 T CB 0.782 69.721 68.868 0.117 0.000 1.390 307 T HN 0.017 nan 8.240 nan 0.000 0.513 308 Q N 0.401 120.318 119.800 0.195 0.000 2.297 308 Q HA -0.063 4.276 4.340 -0.002 0.000 0.208 308 Q C 0.793 177.003 176.000 0.349 0.000 0.981 308 Q CA 1.554 57.482 55.803 0.208 0.000 0.876 308 Q CB -0.126 28.704 28.738 0.152 0.000 0.921 308 Q HN 0.841 nan 8.270 nan 0.000 0.446 309 E N -0.335 120.070 120.200 0.341 0.000 2.846 309 E HA 0.196 4.545 4.350 -0.002 0.000 0.211 309 E C -0.108 176.720 176.600 0.379 0.000 0.975 309 E CA -0.187 56.408 56.400 0.326 0.000 1.211 309 E CB 1.029 30.857 29.700 0.214 0.000 1.052 309 E HN -0.020 nan 8.360 nan 0.000 0.487 310 R N 1.689 122.422 120.500 0.389 0.000 2.532 310 R HA 0.516 4.854 4.340 -0.002 0.000 0.297 310 R C -1.462 174.842 176.300 0.006 0.000 0.984 310 R CA -0.392 55.834 56.100 0.211 0.000 0.884 310 R CB 1.065 31.395 30.300 0.050 0.000 1.182 310 R HN -0.050 nan 8.270 nan 0.000 0.442 311 I N 1.805 122.224 120.570 -0.252 0.000 2.569 311 I HA 0.336 4.505 4.170 -0.002 0.000 0.296 311 I C -0.254 175.545 176.117 -0.530 0.000 1.028 311 I CA -0.879 59.997 61.300 -0.707 0.000 1.082 311 I CB 2.244 39.495 38.000 -1.248 0.000 1.264 311 I HN 0.455 nan 8.210 nan 0.000 0.429 312 S N 6.286 121.653 115.700 -0.555 0.000 2.451 312 S HA 0.758 5.227 4.470 -0.002 0.000 0.301 312 S C -0.842 173.436 174.600 -0.536 0.000 1.116 312 S CA -0.528 57.437 58.200 -0.391 0.000 1.093 312 S CB 0.506 63.602 63.200 -0.173 0.000 1.017 312 S HN 0.451 nan 8.310 nan 0.000 0.482 313 L N 4.283 125.206 121.223 -0.500 0.000 2.410 313 L HA 0.542 4.881 4.340 -0.002 0.000 0.270 313 L C -0.218 176.347 176.870 -0.509 0.000 0.983 313 L CA -0.661 53.768 54.840 -0.685 0.000 0.822 313 L CB 2.093 43.648 42.059 -0.839 0.000 1.285 313 L HN 0.553 nan 8.230 nan 0.000 0.409 314 Q N 1.511 120.986 119.800 -0.543 0.000 2.274 314 Q HA 0.500 4.838 4.340 -0.002 0.000 0.260 314 Q C -1.696 174.068 176.000 -0.393 0.000 0.974 314 Q CA -0.560 55.052 55.803 -0.319 0.000 0.876 314 Q CB 2.563 31.175 28.738 -0.210 0.000 1.297 314 Q HN 0.434 nan 8.270 nan 0.000 0.446 315 W N 1.947 123.205 121.300 -0.071 0.000 2.975 315 W HA 0.703 5.362 4.660 -0.002 0.000 0.342 315 W C -1.008 175.540 176.519 0.048 0.000 1.168 315 W CA -0.517 56.830 57.345 0.003 0.000 1.141 315 W CB 1.259 30.691 29.460 -0.047 0.000 1.445 315 W HN 0.323 nan 8.180 nan 0.000 0.560 316 L N 1.846 123.307 121.223 0.396 0.000 2.482 316 L HA 0.521 4.860 4.340 -0.002 0.000 0.263 316 L C -0.389 176.659 176.870 0.297 0.000 0.957 316 L CA -1.047 53.975 54.840 0.303 0.000 0.836 316 L CB 1.909 44.150 42.059 0.303 0.000 1.324 316 L HN 0.488 nan 8.230 nan 0.000 0.406 317 R N 2.174 122.813 120.500 0.232 0.000 2.490 317 R HA 0.213 4.552 4.340 -0.002 0.000 0.280 317 R C 0.878 177.233 176.300 0.091 0.000 1.077 317 R CA -0.323 55.861 56.100 0.141 0.000 1.065 317 R CB 1.212 31.583 30.300 0.119 0.000 1.003 317 R HN 0.585 nan 8.270 nan 0.000 0.470 318 R N 2.261 122.727 120.500 -0.056 0.000 2.140 318 R HA -0.164 4.174 4.340 -0.002 0.000 0.250 318 R C 0.360 176.698 176.300 0.064 0.000 1.150 318 R CA 1.527 57.594 56.100 -0.055 0.000 0.966 318 R CB -0.167 30.056 30.300 -0.128 0.000 0.869 318 R HN 0.540 nan 8.270 nan 0.000 0.445 319 I N 2.316 122.911 120.570 0.041 0.000 2.389 319 I HA -0.020 4.148 4.170 -0.002 0.000 0.295 319 I C 0.252 176.418 176.117 0.081 0.000 1.117 319 I CA 0.319 61.647 61.300 0.047 0.000 1.317 319 I CB 1.156 39.174 38.000 0.029 0.000 1.431 319 I HN 0.289 nan 8.210 nan 0.000 0.521 320 Q N 5.066 124.912 119.800 0.078 0.000 2.600 320 Q HA -0.021 4.317 4.340 -0.002 0.000 0.276 320 Q C 0.616 176.682 176.000 0.110 0.000 1.006 320 Q CA -0.069 55.797 55.803 0.103 0.000 0.942 320 Q CB -0.351 28.415 28.738 0.047 0.000 1.383 320 Q HN 0.664 nan 8.270 nan 0.000 0.414 321 N N -0.761 118.013 118.700 0.124 0.000 2.184 321 N HA -0.044 4.695 4.740 -0.002 0.000 0.206 321 N C -0.914 174.709 175.510 0.188 0.000 1.151 321 N CA -0.125 52.999 53.050 0.124 0.000 0.878 321 N CB 0.377 38.918 38.487 0.090 0.000 1.014 321 N HN 0.218 nan 8.380 nan 0.000 0.512 322 Y N 1.004 121.331 120.300 0.046 0.000 2.401 322 Y HA 0.561 5.110 4.550 -0.002 0.000 0.330 322 Y C -1.347 174.589 175.900 0.060 0.000 1.071 322 Y CA -0.922 57.204 58.100 0.042 0.000 1.049 322 Y CB 1.600 40.075 38.460 0.026 0.000 1.239 322 Y HN 0.148 nan 8.280 nan 0.000 0.437 323 S N 3.970 119.564 115.700 -0.178 0.000 2.549 323 S HA 0.877 5.346 4.470 -0.002 0.000 0.280 323 S C -1.932 172.565 174.600 -0.170 0.000 1.109 323 S CA -0.856 57.306 58.200 -0.062 0.000 0.905 323 S CB 1.884 65.078 63.200 -0.010 0.000 1.081 323 S HN 0.465 nan 8.310 nan 0.000 0.477 324 V N 3.038 122.945 119.914 -0.011 0.000 2.483 324 V HA 0.475 4.594 4.120 -0.002 0.000 0.297 324 V C -0.424 175.702 176.094 0.053 0.000 1.027 324 V CA -0.576 61.720 62.300 -0.006 0.000 0.855 324 V CB 1.648 33.494 31.823 0.038 0.000 0.995 324 V HN 1.029 nan 8.190 nan 0.000 0.424 325 M N 3.815 123.411 119.600 -0.008 0.000 2.144 325 M HA 0.461 4.940 4.480 -0.002 0.000 0.356 325 M C -0.985 175.319 176.300 0.008 0.000 1.217 325 M CA -0.162 55.110 55.300 -0.046 0.000 1.087 325 M CB 0.806 33.322 32.600 -0.139 0.000 1.609 325 M HN 0.688 nan 8.290 nan 0.000 0.467 326 D N 4.557 124.955 120.400 -0.003 0.000 2.256 326 D HA 0.517 5.155 4.640 -0.002 0.000 0.246 326 D C -1.205 175.066 176.300 -0.049 0.000 1.042 326 D CA -0.120 53.882 54.000 0.003 0.000 0.841 326 D CB 1.439 42.274 40.800 0.059 0.000 1.223 326 D HN 0.518 nan 8.370 nan 0.000 0.470 327 I N 3.278 123.844 120.570 -0.006 0.000 2.382 327 I HA 0.327 4.496 4.170 -0.002 0.000 0.285 327 I C -0.757 175.362 176.117 0.003 0.000 1.007 327 I CA -0.581 60.715 61.300 -0.006 0.000 1.142 327 I CB 1.111 39.161 38.000 0.085 0.000 1.289 327 I HN 0.282 nan 8.210 nan 0.000 0.453 328 c N 4.353 122.940 118.600 -0.023 0.000 2.379 328 c HA 0.535 5.104 4.570 -0.002 0.000 0.323 328 c C -0.450 173.801 174.090 0.269 0.000 1.262 328 c CA -0.791 55.591 56.329 0.089 0.000 1.581 328 c CB 1.023 43.556 42.510 0.037 0.000 2.221 328 c HN 0.582 nan 8.230 nan 0.000 0.497 329 D N 0.663 121.224 120.400 0.269 0.000 2.350 329 D HA 0.263 4.901 4.640 -0.002 0.000 0.245 329 D C -0.738 175.540 176.300 -0.036 0.000 1.036 329 D CA -0.256 53.858 54.000 0.190 0.000 0.848 329 D CB 1.426 42.271 40.800 0.076 0.000 1.307 329 D HN 0.581 nan 8.370 nan 0.000 0.469 330 Y N 1.320 121.232 120.300 -0.646 0.000 2.359 330 Y HA 0.148 4.697 4.550 -0.002 0.000 0.330 330 Y C 0.046 175.683 175.900 -0.439 0.000 1.143 330 Y CA -0.076 57.381 58.100 -1.072 0.000 1.318 330 Y CB 0.762 38.494 38.460 -1.213 0.000 1.234 330 Y HN 0.128 nan 8.280 nan 0.000 0.522 331 D N 5.645 125.582 120.400 -0.771 0.000 2.467 331 D HA 0.080 4.719 4.640 -0.002 0.000 0.220 331 D C 0.859 176.726 176.300 -0.721 0.000 1.103 331 D CA -0.037 53.644 54.000 -0.532 0.000 0.886 331 D CB 0.539 41.135 40.800 -0.340 0.000 1.025 331 D HN 0.900 nan 8.370 nan 0.000 0.514 332 E N 1.807 121.694 120.200 -0.522 0.000 2.136 332 E HA -0.291 4.058 4.350 -0.002 0.000 0.202 332 E C 1.429 177.872 176.600 -0.261 0.000 1.019 332 E CA 1.828 58.016 56.400 -0.353 0.000 0.819 332 E CB 0.369 30.021 29.700 -0.080 0.000 0.739 332 E HN 0.536 nan 8.360 nan 0.000 0.458 333 S N -0.600 114.977 115.700 -0.205 0.000 2.327 333 S HA -0.119 4.350 4.470 -0.002 0.000 0.213 333 S C 2.160 176.675 174.600 -0.143 0.000 1.032 333 S CA 1.282 59.406 58.200 -0.127 0.000 0.960 333 S CB -0.332 62.816 63.200 -0.086 0.000 0.900 333 S HN 0.235 nan 8.310 nan 0.000 0.469 334 S N 1.131 116.731 115.700 -0.165 0.000 2.392 334 S HA -0.002 4.467 4.470 -0.002 0.000 0.232 334 S C 1.764 176.278 174.600 -0.143 0.000 1.041 334 S CA 2.401 60.520 58.200 -0.136 0.000 1.026 334 S CB -1.487 61.627 63.200 -0.142 0.000 0.845 334 S HN 1.885 nan 8.310 nan 0.000 0.465 335 G N 0.567 109.196 108.800 -0.285 0.000 2.176 335 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.253 335 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.253 335 G C 0.379 175.192 174.900 -0.146 0.000 0.979 335 G CA 0.470 45.445 45.100 -0.208 0.000 0.641 335 G HN 0.625 nan 8.290 nan 0.000 0.530 336 R N -1.534 118.836 120.500 -0.217 0.000 2.523 336 R HA 0.659 4.998 4.340 -0.002 0.000 0.223 336 R C -0.589 175.579 176.300 -0.220 0.000 1.280 336 R CA -0.312 55.751 56.100 -0.062 0.000 1.047 336 R CB 0.440 30.741 30.300 0.001 0.000 1.650 336 R HN 0.198 nan 8.270 nan 0.000 0.545 337 W N -0.025 121.295 121.300 0.034 0.000 2.968 337 W HA 0.384 5.043 4.660 -0.002 0.000 0.337 337 W C -0.674 175.839 176.519 -0.009 0.000 1.060 337 W CA -0.462 56.898 57.345 0.025 0.000 1.240 337 W CB 1.264 30.736 29.460 0.020 0.000 1.370 337 W HN 0.264 nan 8.180 nan 0.000 0.459 338 N N 2.119 120.922 118.700 0.172 0.000 2.314 338 N HA 0.556 5.295 4.740 -0.002 0.000 0.304 338 N C -1.518 174.044 175.510 0.088 0.000 1.073 338 N CA -0.495 52.611 53.050 0.093 0.000 0.822 338 N CB 2.118 40.622 38.487 0.029 0.000 1.280 338 N HN 0.252 nan 8.380 nan 0.000 0.489 339 c N 2.685 121.314 118.600 0.049 0.000 2.362 339 c HA 0.283 4.851 4.570 -0.002 0.000 0.309 339 c C 0.179 174.271 174.090 0.004 0.000 1.110 339 c CA -0.784 55.561 56.329 0.026 0.000 1.485 339 c CB -0.810 41.704 42.510 0.007 0.000 1.949 339 c HN 0.555 nan 8.230 nan 0.000 0.419 340 L N 4.080 125.309 121.223 0.009 0.000 2.565 340 L HA 0.088 4.427 4.340 -0.002 0.000 0.275 340 L C 1.430 178.291 176.870 -0.016 0.000 1.137 340 L CA 0.553 55.391 54.840 -0.003 0.000 0.915 340 L CB 0.577 42.638 42.059 0.004 0.000 1.232 340 L HN 0.683 nan 8.230 nan 0.000 0.473 341 V N 4.145 124.043 119.914 -0.027 0.000 2.613 341 V HA -0.352 3.767 4.120 -0.002 0.000 0.259 341 V C 2.168 178.237 176.094 -0.042 0.000 1.099 341 V CA 1.844 64.121 62.300 -0.037 0.000 1.115 341 V CB -1.548 30.251 31.823 -0.040 0.000 0.686 341 V HN 0.923 nan 8.190 nan 0.000 0.481 342 A N 1.233 124.030 122.820 -0.038 0.000 2.021 342 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 342 A C 2.252 179.793 177.584 -0.072 0.000 1.163 342 A CA 0.885 52.892 52.037 -0.050 0.000 0.676 342 A CB -0.246 18.733 19.000 -0.035 0.000 0.818 342 A HN 0.633 nan 8.150 nan 0.000 0.453 343 R N 0.353 120.826 120.500 -0.044 0.000 2.334 343 R HA 0.132 4.471 4.340 -0.002 0.000 0.220 343 R C -0.303 175.950 176.300 -0.078 0.000 0.917 343 R CA -0.156 55.917 56.100 -0.044 0.000 1.073 343 R CB -0.472 29.861 30.300 0.054 0.000 1.056 343 R HN 0.520 nan 8.270 nan 0.000 0.506 344 Q N 1.603 121.349 119.800 -0.089 0.000 2.315 344 Q HA 0.002 4.340 4.340 -0.002 0.000 0.289 344 Q C -0.943 174.946 176.000 -0.185 0.000 1.044 344 Q CA 0.821 56.583 55.803 -0.069 0.000 0.920 344 Q CB 0.498 29.202 28.738 -0.056 0.000 1.214 344 Q HN 0.328 nan 8.270 nan 0.000 0.392 345 H N 1.384 120.441 119.070 -0.021 0.000 2.489 345 H HA 0.446 5.000 4.556 -0.002 0.000 0.343 345 H C -0.618 174.659 175.328 -0.085 0.000 1.086 345 H CA -0.455 55.576 56.048 -0.028 0.000 1.198 345 H CB 1.067 30.803 29.762 -0.043 0.000 1.490 345 H HN 0.450 nan 8.280 nan 0.000 0.504 346 I N 2.358 122.937 120.570 0.015 0.000 2.525 346 I HA 0.277 4.446 4.170 -0.002 0.000 0.301 346 I C -0.242 175.814 176.117 -0.102 0.000 0.992 346 I CA -0.451 60.766 61.300 -0.138 0.000 1.162 346 I CB 1.565 39.457 38.000 -0.181 0.000 1.332 346 I HN 0.516 nan 8.210 nan 0.000 0.458 347 E N 6.817 126.897 120.200 -0.200 0.000 2.241 347 E HA 0.564 4.913 4.350 -0.002 0.000 0.263 347 E C -1.391 175.114 176.600 -0.157 0.000 0.882 347 E CA -0.644 55.690 56.400 -0.110 0.000 0.769 347 E CB 2.482 32.144 29.700 -0.064 0.000 1.185 347 E HN 0.453 nan 8.360 nan 0.000 0.415 348 M N 1.293 120.853 119.600 -0.066 0.000 2.518 348 M HA 0.396 4.874 4.480 -0.002 0.000 0.300 348 M C -0.457 175.858 176.300 0.026 0.000 1.175 348 M CA -0.909 54.392 55.300 0.001 0.000 0.890 348 M CB 2.463 35.104 32.600 0.069 0.000 1.710 348 M HN 0.267 nan 8.290 nan 0.000 0.453 349 S N -0.085 115.635 115.700 0.033 0.000 2.472 349 S HA 0.454 4.922 4.470 -0.002 0.000 0.303 349 S C 0.246 174.851 174.600 0.007 0.000 1.099 349 S CA -0.400 57.805 58.200 0.008 0.000 1.077 349 S CB 1.769 64.946 63.200 -0.038 0.000 1.031 349 S HN 0.763 nan 8.310 nan 0.000 0.487 350 T N 2.077 116.635 114.554 0.007 0.000 3.010 350 T HA 0.036 4.384 4.350 -0.002 0.000 0.252 350 T C 1.744 176.438 174.700 -0.010 0.000 1.047 350 T CA 1.480 63.585 62.100 0.008 0.000 1.140 350 T CB -0.265 68.613 68.868 0.017 0.000 0.885 350 T HN 0.846 nan 8.240 nan 0.000 0.464 351 T N -1.369 113.178 114.554 -0.012 0.000 3.081 351 T HA 0.532 4.880 4.350 -0.002 0.000 0.250 351 T C 1.042 175.627 174.700 -0.191 0.000 1.100 351 T CA 0.499 62.594 62.100 -0.008 0.000 1.038 351 T CB 0.520 69.462 68.868 0.122 0.000 0.962 351 T HN 0.418 nan 8.240 nan 0.000 0.516 352 G N 0.523 109.067 108.800 -0.427 0.000 2.637 352 G HA2 0.447 4.406 3.960 -0.002 0.000 0.112 352 G HA3 0.447 4.406 3.960 -0.002 0.000 0.112 352 G C -1.628 173.071 174.900 -0.335 0.000 1.181 352 G CA -0.465 44.239 45.100 -0.659 0.000 1.150 352 G HN 0.499 nan 8.290 nan 0.000 0.561 353 W N -0.179 120.819 121.300 -0.503 0.000 2.767 353 W HA 0.804 5.463 4.660 -0.002 0.000 0.375 353 W C -0.532 175.925 176.519 -0.103 0.000 1.461 353 W CA -1.343 55.866 57.345 -0.226 0.000 1.415 353 W CB 0.916 30.236 29.460 -0.233 0.000 1.581 353 W HN 0.296 nan 8.180 nan 0.000 0.672 354 V N 2.829 122.858 119.914 0.191 0.000 2.370 354 V HA 0.703 4.821 4.120 -0.002 0.000 0.279 354 V C 0.757 176.931 176.094 0.133 0.000 1.029 354 V CA 0.312 62.667 62.300 0.092 0.000 0.870 354 V CB 0.029 31.899 31.823 0.078 0.000 0.984 354 V HN 1.289 nan 8.190 nan 0.000 0.451 355 G N 5.294 114.127 108.800 0.055 0.000 2.782 355 G HA2 -0.209 3.749 3.960 -0.002 0.000 0.228 355 G HA3 -0.209 3.749 3.960 -0.002 0.000 0.228 355 G C 0.361 175.318 174.900 0.095 0.000 1.372 355 G CA 0.434 45.580 45.100 0.076 0.000 0.862 355 G HN 0.641 nan 8.290 nan 0.000 0.547 356 R N -1.231 119.332 120.500 0.105 0.000 2.054 356 R HA 0.223 4.562 4.340 -0.002 0.000 0.223 356 R C 2.130 178.416 176.300 -0.024 0.000 1.176 356 R CA 1.993 58.107 56.100 0.023 0.000 0.934 356 R CB -0.189 30.150 30.300 0.065 0.000 0.828 356 R HN 0.426 nan 8.270 nan 0.000 0.441 357 F N -0.011 120.093 119.950 0.257 0.000 2.682 357 F HA 0.279 4.805 4.527 -0.002 0.000 0.308 357 F C 0.320 176.188 175.800 0.113 0.000 1.093 357 F CA -0.339 57.782 58.000 0.201 0.000 1.244 357 F CB 0.621 39.735 39.000 0.189 0.000 1.052 357 F HN 0.034 nan 8.300 nan 0.000 0.573 358 R N -2.131 118.521 120.500 0.253 0.000 2.829 358 R HA 0.348 4.687 4.340 -0.002 0.000 0.284 358 R C -3.364 173.019 176.300 0.138 0.000 1.006 358 R CA -1.875 54.317 56.100 0.153 0.000 0.844 358 R CB -0.158 30.216 30.300 0.123 0.000 1.309 358 R HN -0.380 nan 8.270 nan 0.000 0.494 359 P HA 0.007 nan 4.420 nan 0.000 0.263 359 P C -0.328 177.008 177.300 0.060 0.000 1.195 359 P CA 0.154 63.290 63.100 0.059 0.000 0.762 359 P CB 0.839 32.552 31.700 0.021 0.000 0.799 360 S N 2.011 117.750 115.700 0.064 0.000 2.576 360 S HA 0.044 4.513 4.470 -0.002 0.000 0.272 360 S C 0.138 174.763 174.600 0.043 0.000 1.352 360 S CA -0.661 57.590 58.200 0.086 0.000 1.021 360 S CB 0.523 63.787 63.200 0.106 0.000 0.887 360 S HN 0.555 nan 8.310 nan 0.000 0.542 361 E N 1.954 122.203 120.200 0.081 0.000 2.283 361 E HA 0.350 4.699 4.350 -0.002 0.000 0.278 361 E C -2.542 174.079 176.600 0.035 0.000 1.027 361 E CA -2.372 54.038 56.400 0.016 0.000 0.843 361 E CB 0.739 30.458 29.700 0.031 0.000 1.062 361 E HN 0.460 nan 8.360 nan 0.000 0.401 362 P HA 0.256 nan 4.420 nan 0.000 0.286 362 P C -1.450 175.772 177.300 -0.129 0.000 1.261 362 P CA -0.424 62.564 63.100 -0.186 0.000 0.821 362 P CB 0.797 32.049 31.700 -0.746 0.000 1.013 363 H N 1.261 120.337 119.070 0.010 0.000 2.638 363 H HA 0.446 5.000 4.556 -0.002 0.000 0.317 363 H C -0.604 174.854 175.328 0.218 0.000 1.006 363 H CA -0.180 55.962 56.048 0.156 0.000 1.222 363 H CB 0.149 30.021 29.762 0.183 0.000 1.419 363 H HN 0.234 nan 8.280 nan 0.000 0.489 364 F N 1.574 121.708 119.950 0.306 0.000 2.394 364 F HA 0.248 4.774 4.527 -0.002 0.000 0.340 364 F C 1.143 177.127 175.800 0.306 0.000 1.105 364 F CA -0.777 57.413 58.000 0.318 0.000 1.124 364 F CB 1.199 40.318 39.000 0.199 0.000 1.145 364 F HN 0.445 nan 8.300 nan 0.000 0.505 365 T N 0.642 115.501 114.554 0.508 0.000 2.802 365 T HA 0.123 4.472 4.350 -0.002 0.000 0.305 365 T C 1.338 176.232 174.700 0.323 0.000 1.053 365 T CA -0.712 61.621 62.100 0.389 0.000 1.058 365 T CB 0.692 69.780 68.868 0.366 0.000 0.988 365 T HN 0.650 nan 8.240 nan 0.000 0.539 366 L N 0.933 122.300 121.223 0.239 0.000 2.187 366 L HA -0.102 4.237 4.340 -0.002 0.000 0.213 366 L C 2.246 179.218 176.870 0.170 0.000 1.100 366 L CA 1.966 56.919 54.840 0.188 0.000 0.765 366 L CB -0.555 41.592 42.059 0.146 0.000 0.904 366 L HN 0.874 nan 8.230 nan 0.000 0.437 367 D N -1.797 118.707 120.400 0.175 0.000 2.323 367 D HA 0.001 4.640 4.640 -0.002 0.000 0.209 367 D C 1.505 177.899 176.300 0.156 0.000 0.973 367 D CA 0.937 55.025 54.000 0.147 0.000 0.874 367 D CB 0.073 40.953 40.800 0.134 0.000 0.930 367 D HN 0.248 nan 8.370 nan 0.000 0.521 368 G N 0.264 109.191 108.800 0.212 0.000 2.194 368 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.236 368 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.236 368 G C 1.021 176.106 174.900 0.307 0.000 0.987 368 G CA 0.219 45.448 45.100 0.216 0.000 0.635 368 G HN 0.296 nan 8.290 nan 0.000 0.520 369 N N 0.636 119.487 118.700 0.251 0.000 2.463 369 N HA 0.186 4.925 4.740 -0.002 0.000 0.181 369 N C 0.957 176.577 175.510 0.183 0.000 1.078 369 N CA 1.300 54.470 53.050 0.201 0.000 0.902 369 N CB 0.440 39.007 38.487 0.132 0.000 0.970 369 N HN 1.020 nan 8.380 nan 0.000 0.451 370 S N -0.477 115.356 115.700 0.223 0.000 2.596 370 S HA 0.740 5.208 4.470 -0.002 0.000 0.270 370 S C -1.013 173.643 174.600 0.092 0.000 1.155 370 S CA -0.996 57.193 58.200 -0.018 0.000 0.827 370 S CB 1.510 64.597 63.200 -0.188 0.000 1.130 370 S HN 0.110 nan 8.310 nan 0.000 0.467 371 F N -1.425 118.357 119.950 -0.280 0.000 2.662 371 F HA 0.875 5.401 4.527 -0.002 0.000 0.312 371 F C -2.062 173.576 175.800 -0.271 0.000 1.113 371 F CA -1.499 56.299 58.000 -0.337 0.000 0.951 371 F CB 0.580 38.962 39.000 -1.029 0.000 1.344 371 F HN 0.596 nan 8.300 nan 0.000 0.462 372 Y N 0.781 121.216 120.300 0.226 0.000 2.509 372 Y HA 0.740 5.288 4.550 -0.002 0.000 0.341 372 Y C -0.288 175.760 175.900 0.246 0.000 1.038 372 Y CA -1.212 57.007 58.100 0.198 0.000 1.089 372 Y CB 2.166 40.689 38.460 0.105 0.000 1.241 372 Y HN 0.780 nan 8.280 nan 0.000 0.468 373 K N 2.145 122.756 120.400 0.352 0.000 2.572 373 K HA 0.479 4.798 4.320 -0.002 0.000 0.263 373 K C -1.963 174.759 176.600 0.203 0.000 0.932 373 K CA -0.542 55.896 56.287 0.252 0.000 0.838 373 K CB 1.716 34.315 32.500 0.165 0.000 1.366 373 K HN 0.757 nan 8.250 nan 0.000 0.425 374 I N 4.765 125.427 120.570 0.153 0.000 2.416 374 I HA 0.243 4.412 4.170 -0.002 0.000 0.288 374 I C -0.048 176.151 176.117 0.136 0.000 1.051 374 I CA -0.475 60.903 61.300 0.131 0.000 1.375 374 I CB 0.626 38.688 38.000 0.102 0.000 1.407 374 I HN 0.366 nan 8.210 nan 0.000 0.516 375 I N 4.435 125.111 120.570 0.176 0.000 2.865 375 I HA 0.197 4.366 4.170 -0.002 0.000 0.302 375 I C 0.071 176.304 176.117 0.194 0.000 1.140 375 I CA -0.587 60.822 61.300 0.181 0.000 1.021 375 I CB 2.119 40.250 38.000 0.217 0.000 1.233 375 I HN 0.405 nan 8.210 nan 0.000 0.427 376 S N 4.613 120.379 115.700 0.109 0.000 2.531 376 S HA 0.213 4.682 4.470 -0.002 0.000 0.279 376 S C 0.215 174.896 174.600 0.136 0.000 1.305 376 S CA -0.400 57.824 58.200 0.041 0.000 1.058 376 S CB -0.016 63.152 63.200 -0.053 0.000 0.899 376 S HN 0.789 nan 8.310 nan 0.000 0.493 377 N N 2.479 121.192 118.700 0.022 0.000 2.431 377 N HA 0.194 4.932 4.740 -0.002 0.000 0.289 377 N C 0.883 176.351 175.510 -0.070 0.000 1.277 377 N CA -0.654 52.325 53.050 -0.117 0.000 0.972 377 N CB 0.241 38.247 38.487 -0.802 0.000 1.143 377 N HN 0.758 nan 8.380 nan 0.000 0.578 378 E N -0.389 119.752 120.200 -0.098 0.000 2.347 378 E HA -0.158 4.191 4.350 -0.002 0.000 0.196 378 E C 0.735 177.306 176.600 -0.049 0.000 1.008 378 E CA 0.937 57.312 56.400 -0.041 0.000 0.852 378 E CB 0.072 29.759 29.700 -0.021 0.000 0.783 378 E HN 0.643 nan 8.360 nan 0.000 0.505 379 E N -0.566 119.603 120.200 -0.052 0.000 2.478 379 E HA 0.146 4.495 4.350 -0.002 0.000 0.194 379 E C 0.796 177.401 176.600 0.008 0.000 1.045 379 E CA 0.588 56.999 56.400 0.018 0.000 0.868 379 E CB 0.874 30.612 29.700 0.063 0.000 0.885 379 E HN 0.414 nan 8.360 nan 0.000 0.505 380 G N 0.082 108.828 108.800 -0.090 0.000 2.131 380 G HA2 -0.257 3.701 3.960 -0.002 0.000 0.201 380 G HA3 -0.257 3.701 3.960 -0.002 0.000 0.201 380 G C -0.598 173.996 174.900 -0.510 0.000 1.000 380 G CA -0.418 44.508 45.100 -0.291 0.000 0.680 380 G HN 0.182 nan 8.290 nan 0.000 0.514 381 Y N -0.327 119.860 120.300 -0.187 0.000 2.409 381 Y HA 0.696 5.244 4.550 -0.002 0.000 0.339 381 Y C 0.996 176.764 175.900 -0.220 0.000 1.033 381 Y CA -1.026 56.948 58.100 -0.211 0.000 1.094 381 Y CB 1.233 39.568 38.460 -0.207 0.000 1.210 381 Y HN 0.086 nan 8.280 nan 0.000 0.456 382 R N 3.131 123.524 120.500 -0.178 0.000 2.216 382 R HA 0.295 4.634 4.340 -0.002 0.000 0.332 382 R C -0.749 175.309 176.300 -0.404 0.000 1.056 382 R CA -0.080 55.916 56.100 -0.174 0.000 0.901 382 R CB 0.109 30.345 30.300 -0.108 0.000 1.039 382 R HN 0.667 nan 8.270 nan 0.000 0.456 383 H N 1.786 120.838 119.070 -0.031 0.000 2.906 383 H HA 0.379 4.933 4.556 -0.002 0.000 0.337 383 H C -0.127 175.246 175.328 0.076 0.000 1.257 383 H CA -0.915 55.092 56.048 -0.069 0.000 1.192 383 H CB 1.525 31.149 29.762 -0.229 0.000 1.912 383 H HN 0.304 nan 8.280 nan 0.000 0.573 384 I N 1.007 121.663 120.570 0.143 0.000 2.395 384 I HA 0.104 4.273 4.170 -0.002 0.000 0.289 384 I C 0.217 176.393 176.117 0.098 0.000 1.023 384 I CA -0.005 61.339 61.300 0.072 0.000 1.350 384 I CB 0.657 38.602 38.000 -0.091 0.000 1.409 384 I HN 0.131 nan 8.210 nan 0.000 0.507 385 c N 6.526 125.141 118.600 0.024 0.000 2.507 385 c HA 0.465 5.033 4.570 -0.002 0.000 0.319 385 c C -0.587 173.391 174.090 -0.186 0.000 1.208 385 c CA -0.525 55.640 56.329 -0.274 0.000 1.619 385 c CB 1.232 43.399 42.510 -0.571 0.000 2.230 385 c HN 0.651 nan 8.230 nan 0.000 0.492 386 Y N 3.859 123.825 120.300 -0.556 0.000 2.328 386 Y HA 0.689 5.237 4.550 -0.002 0.000 0.337 386 Y C -1.160 174.248 175.900 -0.819 0.000 1.008 386 Y CA -0.907 56.799 58.100 -0.656 0.000 1.129 386 Y CB 0.457 38.608 38.460 -0.516 0.000 1.185 386 Y HN 0.609 nan 8.280 nan 0.000 0.476 387 F N 4.455 123.634 119.950 -1.285 0.000 2.507 387 F HA 0.466 4.992 4.527 -0.002 0.000 0.325 387 F C -0.284 174.721 175.800 -1.326 0.000 1.116 387 F CA -0.719 56.494 58.000 -1.312 0.000 0.930 387 F CB 1.836 39.696 39.000 -1.900 0.000 1.146 387 F HN 0.368 nan 8.300 nan 0.000 0.447 388 Q N 3.636 123.018 119.800 -0.698 0.000 2.256 388 Q HA 0.403 4.742 4.340 -0.002 0.000 0.257 388 Q C 1.067 176.985 176.000 -0.137 0.000 0.936 388 Q CA -0.617 54.921 55.803 -0.442 0.000 0.903 388 Q CB 2.744 31.279 28.738 -0.340 0.000 1.263 388 Q HN 0.785 nan 8.270 nan 0.000 0.440 389 I N 1.003 121.572 120.570 -0.001 0.000 2.208 389 I HA -0.269 3.900 4.170 -0.002 0.000 0.245 389 I C 0.700 176.921 176.117 0.174 0.000 1.097 389 I CA 1.453 62.868 61.300 0.192 0.000 1.363 389 I CB 0.205 38.347 38.000 0.237 0.000 1.051 389 I HN 0.635 nan 8.210 nan 0.000 0.413 390 D N 0.615 121.059 120.400 0.073 0.000 2.463 390 D HA 0.151 4.790 4.640 -0.002 0.000 0.224 390 D C 0.193 176.491 176.300 -0.003 0.000 1.174 390 D CA 0.219 54.237 54.000 0.031 0.000 0.829 390 D CB 0.541 41.353 40.800 0.019 0.000 0.993 390 D HN 0.270 nan 8.370 nan 0.000 0.497 391 K N 1.186 121.589 120.400 0.005 0.000 2.267 391 K HA 0.283 4.602 4.320 -0.002 0.000 0.246 391 K C 0.292 176.884 176.600 -0.013 0.000 0.954 391 K CA -0.772 55.499 56.287 -0.026 0.000 0.824 391 K CB 2.374 34.839 32.500 -0.058 0.000 1.167 391 K HN -0.083 nan 8.250 nan 0.000 0.431 392 K N 1.435 121.811 120.400 -0.039 0.000 2.187 392 K HA 0.085 4.404 4.320 -0.002 0.000 0.247 392 K C -0.474 176.096 176.600 -0.051 0.000 1.019 392 K CA -0.490 55.775 56.287 -0.037 0.000 0.893 392 K CB 0.248 32.721 32.500 -0.045 0.000 1.025 392 K HN 0.526 nan 8.250 nan 0.000 0.500 393 D N -1.561 118.813 120.400 -0.043 0.000 4.959 393 D HA -0.243 4.395 4.640 -0.002 0.000 0.313 393 D C -0.236 175.860 176.300 -0.340 0.000 2.491 393 D CA 1.133 55.052 54.000 -0.135 0.000 1.123 393 D CB -0.868 39.846 40.800 -0.143 0.000 1.160 393 D HN 1.043 nan 8.370 nan 0.000 1.324 394 c N -2.935 115.311 118.600 -0.590 0.000 3.236 394 c HA 0.798 5.367 4.570 -0.002 0.000 0.312 394 c C -0.353 173.320 174.090 -0.695 0.000 1.374 394 c CA -0.564 55.163 56.329 -1.003 0.000 1.455 394 c CB 1.764 42.957 42.510 -2.196 0.000 1.834 394 c HN 0.624 nan 8.230 nan 0.000 0.460 395 T N 1.914 116.118 114.554 -0.584 0.000 2.779 395 T HA 0.528 4.877 4.350 -0.002 0.000 0.280 395 T C -0.757 173.729 174.700 -0.356 0.000 0.987 395 T CA 0.143 62.057 62.100 -0.309 0.000 0.966 395 T CB 0.360 69.206 68.868 -0.038 0.000 0.933 395 T HN 0.458 nan 8.240 nan 0.000 0.442 396 F N 3.483 123.328 119.950 -0.175 0.000 2.472 396 F HA 0.256 4.781 4.527 -0.002 0.000 0.364 396 F C 1.563 177.227 175.800 -0.227 0.000 1.090 396 F CA -1.074 56.811 58.000 -0.192 0.000 1.188 396 F CB 0.278 39.164 39.000 -0.189 0.000 1.105 396 F HN 0.563 nan 8.300 nan 0.000 0.536 397 I N -0.470 120.010 120.570 -0.151 0.000 3.968 397 I HA 0.232 4.401 4.170 -0.002 0.000 0.328 397 I C 0.282 176.277 176.117 -0.204 0.000 1.290 397 I CA 0.066 61.123 61.300 -0.406 0.000 1.163 397 I CB -0.071 37.375 38.000 -0.925 0.000 1.024 397 I HN 0.465 nan 8.210 nan 0.000 0.413 398 T N -0.489 113.971 114.554 -0.157 0.000 2.903 398 T HA 0.718 5.066 4.350 -0.002 0.000 0.299 398 T C -0.764 173.509 174.700 -0.711 0.000 1.093 398 T CA -0.735 61.225 62.100 -0.234 0.000 1.002 398 T CB 2.748 71.566 68.868 -0.083 0.000 1.127 398 T HN 0.348 nan 8.240 nan 0.000 0.488 399 K N 0.427 120.199 120.400 -1.046 0.000 2.578 399 K HA 0.825 5.144 4.320 -0.002 0.000 0.287 399 K C -0.470 175.397 176.600 -1.223 0.000 1.010 399 K CA -1.162 54.289 56.287 -1.393 0.000 0.889 399 K CB 1.826 33.926 32.500 -0.666 0.000 1.514 399 K HN 1.397 nan 8.250 nan 0.000 0.424 400 G N -0.268 107.953 108.800 -0.966 0.000 2.357 400 G HA2 -0.026 3.933 3.960 -0.002 0.000 0.643 400 G HA3 -0.026 3.933 3.960 -0.002 0.000 0.643 400 G C -1.110 173.270 174.900 -0.866 0.000 1.358 400 G CA -0.996 43.668 45.100 -0.726 0.000 0.986 400 G HN 0.373 nan 8.290 nan 0.000 0.620 401 T N 2.647 116.838 114.554 -0.605 0.000 3.945 401 T HA 0.530 4.879 4.350 -0.002 0.000 0.306 401 T C -0.020 174.534 174.700 -0.244 0.000 1.475 401 T CA 0.909 62.536 62.100 -0.789 0.000 1.177 401 T CB -1.195 67.416 68.868 -0.428 0.000 1.272 401 T HN 0.918 nan 8.240 nan 0.000 0.930 402 W N 0.145 121.301 121.300 -0.239 0.000 2.804 402 W HA 0.455 5.114 4.660 -0.002 0.000 0.420 402 W C -1.700 174.806 176.519 -0.022 0.000 1.049 402 W CA -0.967 56.365 57.345 -0.021 0.000 1.133 402 W CB 0.630 30.064 29.460 -0.042 0.000 1.478 402 W HN 0.089 nan 8.180 nan 0.000 0.581 403 E N 0.836 121.264 120.200 0.380 0.000 2.340 403 E HA 0.436 4.785 4.350 -0.002 0.000 0.273 403 E C -1.152 175.598 176.600 0.250 0.000 0.891 403 E CA -1.134 55.285 56.400 0.032 0.000 0.757 403 E CB 3.335 33.071 29.700 0.061 0.000 1.231 403 E HN 0.187 nan 8.360 nan 0.000 0.439 404 V N 3.271 123.207 119.914 0.038 0.000 2.508 404 V HA 0.042 4.161 4.120 -0.002 0.000 0.281 404 V C 1.027 177.218 176.094 0.162 0.000 1.041 404 V CA 0.438 62.849 62.300 0.184 0.000 1.016 404 V CB 0.510 32.340 31.823 0.012 0.000 0.984 404 V HN 0.704 nan 8.190 nan 0.000 0.478 405 I N 3.037 123.723 120.570 0.192 0.000 2.585 405 I HA 0.310 4.479 4.170 -0.002 0.000 0.254 405 I C 1.170 177.392 176.117 0.175 0.000 1.129 405 I CA 1.138 62.532 61.300 0.156 0.000 1.455 405 I CB 0.199 38.223 38.000 0.039 0.000 1.111 405 I HN 0.780 nan 8.210 nan 0.000 0.433 406 G N 0.061 108.971 108.800 0.183 0.000 2.667 406 G HA2 0.540 4.498 3.960 -0.002 0.000 0.294 406 G HA3 0.540 4.498 3.960 -0.002 0.000 0.294 406 G C -1.365 173.631 174.900 0.159 0.000 1.467 406 G CA -0.559 44.645 45.100 0.173 0.000 0.852 406 G HN -0.098 nan 8.290 nan 0.000 0.521 407 I N 1.397 121.990 120.570 0.037 0.000 2.342 407 I HA 0.283 4.451 4.170 -0.002 0.000 0.291 407 I C 0.571 176.668 176.117 -0.033 0.000 1.010 407 I CA -0.514 60.712 61.300 -0.123 0.000 1.308 407 I CB 1.804 39.428 38.000 -0.626 0.000 1.400 407 I HN 0.497 nan 8.210 nan 0.000 0.488 408 E N 4.904 125.136 120.200 0.053 0.000 2.434 408 E HA 0.385 4.734 4.350 -0.002 0.000 0.207 408 E C -0.040 176.538 176.600 -0.036 0.000 0.929 408 E CA 0.105 56.581 56.400 0.126 0.000 1.001 408 E CB 1.218 31.068 29.700 0.250 0.000 1.016 408 E HN 0.665 nan 8.360 nan 0.000 0.502 409 A N 0.761 123.478 122.820 -0.173 0.000 2.590 409 A HA 0.553 4.872 4.320 -0.002 0.000 0.294 409 A C -1.885 175.638 177.584 -0.102 0.000 1.046 409 A CA -0.615 51.246 52.037 -0.294 0.000 0.684 409 A CB 1.154 19.539 19.000 -1.024 0.000 1.279 409 A HN 0.052 nan 8.150 nan 0.000 0.415 410 L N 2.330 123.530 121.223 -0.039 0.000 2.409 410 L HA 0.839 5.178 4.340 -0.002 0.000 0.272 410 L C -0.313 176.588 176.870 0.051 0.000 0.980 410 L CA 0.017 54.862 54.840 0.009 0.000 0.826 410 L CB 2.044 44.137 42.059 0.057 0.000 1.268 410 L HN 1.231 nan 8.230 nan 0.000 0.407 411 T N -0.728 113.871 114.554 0.075 0.000 2.838 411 T HA 0.332 4.681 4.350 -0.002 0.000 0.292 411 T C 0.964 175.712 174.700 0.080 0.000 1.113 411 T CA -0.339 61.819 62.100 0.096 0.000 1.008 411 T CB 1.575 70.532 68.868 0.150 0.000 1.259 411 T HN 0.416 nan 8.240 nan 0.000 0.520 412 S N 0.508 116.254 115.700 0.076 0.000 2.380 412 S HA -0.132 4.337 4.470 -0.002 0.000 0.229 412 S C 1.117 175.708 174.600 -0.015 0.000 1.043 412 S CA 1.783 60.011 58.200 0.047 0.000 1.038 412 S CB -0.464 62.762 63.200 0.044 0.000 0.872 412 S HN 0.774 nan 8.310 nan 0.000 0.456 413 D N -1.331 119.053 120.400 -0.027 0.000 2.407 413 D HA 0.237 4.876 4.640 -0.002 0.000 0.208 413 D C -0.714 175.208 176.300 -0.629 0.000 1.083 413 D CA 0.347 54.174 54.000 -0.288 0.000 0.844 413 D CB 0.510 41.142 40.800 -0.281 0.000 0.967 413 D HN 0.355 nan 8.370 nan 0.000 0.506 414 Y N -0.096 120.149 120.300 -0.091 0.000 2.521 414 Y HA 0.340 4.889 4.550 -0.002 0.000 0.332 414 Y C -0.764 174.977 175.900 -0.264 0.000 1.121 414 Y CA -0.892 57.073 58.100 -0.226 0.000 1.037 414 Y CB 1.897 40.124 38.460 -0.388 0.000 1.330 414 Y HN -0.268 nan 8.280 nan 0.000 0.452 415 L N 3.495 124.615 121.223 -0.171 0.000 2.295 415 L HA 0.602 4.941 4.340 -0.002 0.000 0.285 415 L C -1.581 175.170 176.870 -0.197 0.000 1.035 415 L CA -0.507 54.208 54.840 -0.209 0.000 0.806 415 L CB 0.595 42.451 42.059 -0.338 0.000 1.214 415 L HN 0.614 nan 8.230 nan 0.000 0.426 416 Y N 4.596 124.827 120.300 -0.115 0.000 2.387 416 Y HA 0.555 5.104 4.550 -0.002 0.000 0.336 416 Y C -0.399 175.520 175.900 0.033 0.000 1.067 416 Y CA -0.289 57.748 58.100 -0.106 0.000 1.114 416 Y CB 1.442 39.720 38.460 -0.304 0.000 1.208 416 Y HN 0.543 nan 8.280 nan 0.000 0.458 417 Y N -0.361 119.994 120.300 0.093 0.000 2.670 417 Y HA 0.812 5.361 4.550 -0.002 0.000 0.334 417 Y C -2.010 173.970 175.900 0.134 0.000 1.185 417 Y CA -1.950 56.196 58.100 0.077 0.000 1.053 417 Y CB 1.166 39.645 38.460 0.033 0.000 1.298 417 Y HN 0.423 nan 8.280 nan 0.000 0.459 418 I N 2.633 123.341 120.570 0.229 0.000 2.509 418 I HA 0.649 4.818 4.170 -0.002 0.000 0.293 418 I C -0.449 175.807 176.117 0.231 0.000 1.020 418 I CA -0.559 60.814 61.300 0.121 0.000 1.088 418 I CB 2.203 40.244 38.000 0.068 0.000 1.267 418 I HN 0.900 nan 8.210 nan 0.000 0.430 419 S N 3.754 119.549 115.700 0.158 0.000 2.794 419 S HA 0.438 4.907 4.470 -0.002 0.000 0.299 419 S C -0.605 173.999 174.600 0.007 0.000 1.179 419 S CA -0.819 57.462 58.200 0.134 0.000 0.838 419 S CB 1.786 65.029 63.200 0.072 0.000 1.206 419 S HN 0.786 nan 8.310 nan 0.000 0.523 420 N N -0.907 117.789 118.700 -0.007 0.000 2.480 420 N HA 0.223 4.962 4.740 -0.002 0.000 0.281 420 N C 0.612 176.039 175.510 -0.137 0.000 1.381 420 N CA -0.414 52.602 53.050 -0.058 0.000 0.903 420 N CB 0.590 39.050 38.487 -0.044 0.000 1.274 420 N HN 0.721 nan 8.380 nan 0.000 0.505 421 E N 0.554 120.487 120.200 -0.445 0.000 2.047 421 E HA -0.193 4.155 4.350 -0.002 0.000 0.191 421 E C -0.230 176.181 176.600 -0.315 0.000 0.987 421 E CA 0.412 56.301 56.400 -0.851 0.000 0.799 421 E CB -0.014 28.677 29.700 -1.683 0.000 0.752 421 E HN 0.422 nan 8.360 nan 0.000 0.449 422 Y N 2.305 122.478 120.300 -0.211 0.000 2.916 422 Y HA -0.191 4.358 4.550 -0.002 0.000 0.344 422 Y C 0.407 176.264 175.900 -0.071 0.000 1.282 422 Y CA 0.886 58.932 58.100 -0.089 0.000 1.604 422 Y CB 0.023 38.464 38.460 -0.033 0.000 1.207 422 Y HN 0.113 nan 8.280 nan 0.000 0.561 423 K N 3.421 123.506 120.400 -0.525 0.000 3.193 423 K HA -0.260 4.058 4.320 -0.002 0.000 0.294 423 K C 0.928 177.447 176.600 -0.135 0.000 1.185 423 K CA 0.830 56.882 56.287 -0.391 0.000 0.866 423 K CB -1.834 30.396 32.500 -0.450 0.000 1.227 423 K HN 1.292 nan 8.250 nan 0.000 0.467 424 G N 0.723 109.459 108.800 -0.106 0.000 2.233 424 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.270 424 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.270 424 G C 0.088 174.980 174.900 -0.014 0.000 1.011 424 G CA 0.896 45.985 45.100 -0.018 0.000 0.762 424 G HN 0.353 nan 8.290 nan 0.000 0.511 425 M N 0.203 119.732 119.600 -0.119 0.000 2.094 425 M HA 0.253 4.732 4.480 -0.002 0.000 0.348 425 M C -1.125 174.925 176.300 -0.417 0.000 1.267 425 M CA -1.934 53.148 55.300 -0.364 0.000 1.125 425 M CB 1.516 33.976 32.600 -0.232 0.000 1.527 425 M HN -0.132 nan 8.290 nan 0.000 0.447 426 P HA -0.077 nan 4.420 nan 0.000 0.220 426 P C 1.051 178.192 177.300 -0.265 0.000 1.148 426 P CA 0.906 63.794 63.100 -0.353 0.000 0.803 426 P CB 0.236 31.690 31.700 -0.410 0.000 0.782 427 G N -1.098 107.487 108.800 -0.358 0.000 3.371 427 G HA2 0.334 4.293 3.960 -0.002 0.000 0.248 427 G HA3 0.334 4.293 3.960 -0.002 0.000 0.248 427 G C 0.540 175.454 174.900 0.023 0.000 1.161 427 G CA -0.001 45.033 45.100 -0.110 0.000 0.796 427 G HN 0.350 nan 8.290 nan 0.000 0.539 428 G N -0.285 108.472 108.800 -0.072 0.000 2.537 428 G HA2 0.714 4.673 3.960 -0.002 0.000 0.323 428 G HA3 0.714 4.673 3.960 -0.002 0.000 0.323 428 G C -0.795 173.989 174.900 -0.193 0.000 1.207 428 G CA -0.913 44.177 45.100 -0.018 0.000 0.976 428 G HN 0.208 nan 8.290 nan 0.000 0.487 429 R N 0.399 120.750 120.500 -0.249 0.000 2.626 429 R HA 0.409 4.748 4.340 -0.002 0.000 0.274 429 R C -1.420 174.825 176.300 -0.092 0.000 1.031 429 R CA -0.871 55.049 56.100 -0.301 0.000 0.898 429 R CB 2.413 32.288 30.300 -0.709 0.000 1.222 429 R HN 0.559 nan 8.270 nan 0.000 0.455 430 N N 1.699 120.367 118.700 -0.053 0.000 2.396 430 N HA 0.313 5.052 4.740 -0.002 0.000 0.275 430 N C -1.205 174.167 175.510 -0.230 0.000 1.218 430 N CA -0.716 52.233 53.050 -0.168 0.000 0.812 430 N CB 2.530 40.824 38.487 -0.323 0.000 1.592 430 N HN 0.308 nan 8.380 nan 0.000 0.480 431 L N 2.067 123.024 121.223 -0.444 0.000 2.367 431 L HA 0.313 4.652 4.340 -0.002 0.000 0.275 431 L C -1.026 175.448 176.870 -0.660 0.000 1.129 431 L CA 0.001 54.599 54.840 -0.403 0.000 0.839 431 L CB 0.097 41.913 42.059 -0.405 0.000 1.133 431 L HN 0.508 nan 8.230 nan 0.000 0.453 432 Y N 3.505 123.461 120.300 -0.573 0.000 2.536 432 Y HA 0.444 4.993 4.550 -0.002 0.000 0.347 432 Y C -0.199 175.395 175.900 -0.510 0.000 1.000 432 Y CA -0.837 56.884 58.100 -0.631 0.000 1.051 432 Y CB 1.816 39.689 38.460 -0.980 0.000 1.259 432 Y HN 0.389 nan 8.280 nan 0.000 0.468 433 K N 2.551 122.823 120.400 -0.212 0.000 2.270 433 K HA 0.690 5.009 4.320 -0.002 0.000 0.255 433 K C -1.620 174.959 176.600 -0.034 0.000 0.936 433 K CA -0.494 55.600 56.287 -0.322 0.000 0.809 433 K CB 1.261 33.529 32.500 -0.386 0.000 1.131 433 K HN 0.645 nan 8.250 nan 0.000 0.427 434 I N 3.055 123.643 120.570 0.029 0.000 2.436 434 I HA 0.177 4.346 4.170 -0.002 0.000 0.289 434 I C -0.234 175.949 176.117 0.109 0.000 1.010 434 I CA -0.760 60.617 61.300 0.128 0.000 1.098 434 I CB 2.085 40.157 38.000 0.120 0.000 1.266 434 I HN 0.479 nan 8.210 nan 0.000 0.434 435 Q N 5.083 124.926 119.800 0.071 0.000 2.295 435 Q HA 0.278 4.617 4.340 -0.002 0.000 0.259 435 Q C 0.709 176.629 176.000 -0.133 0.000 0.976 435 Q CA -0.200 55.478 55.803 -0.208 0.000 0.923 435 Q CB 1.285 29.927 28.738 -0.159 0.000 1.185 435 Q HN 0.692 nan 8.270 nan 0.000 0.410 436 L N 1.935 123.026 121.223 -0.221 0.000 2.291 436 L HA -0.111 4.228 4.340 -0.002 0.000 0.214 436 L C 1.864 178.642 176.870 -0.153 0.000 1.120 436 L CA 0.822 55.633 54.840 -0.049 0.000 0.799 436 L CB -0.112 41.905 42.059 -0.069 0.000 0.925 436 L HN 0.568 nan 8.230 nan 0.000 0.446 437 S N -1.806 113.765 115.700 -0.215 0.000 2.743 437 S HA 0.044 4.513 4.470 -0.002 0.000 0.230 437 S C 0.110 174.562 174.600 -0.247 0.000 0.950 437 S CA -0.338 57.726 58.200 -0.226 0.000 0.976 437 S CB -0.148 62.948 63.200 -0.174 0.000 0.779 437 S HN 0.377 nan 8.310 nan 0.000 0.487 438 D N -0.198 120.032 120.400 -0.284 0.000 2.508 438 D HA 0.010 4.649 4.640 -0.002 0.000 0.162 438 D C -0.415 175.824 176.300 -0.101 0.000 1.175 438 D CA -0.303 53.558 54.000 -0.232 0.000 1.295 438 D CB -0.635 40.092 40.800 -0.122 0.000 1.603 438 D HN 0.024 nan 8.370 nan 0.000 0.645 439 Y N 0.513 120.781 120.300 -0.054 0.000 2.465 439 Y HA -0.131 4.418 4.550 -0.002 0.000 0.289 439 Y C 2.647 178.544 175.900 -0.005 0.000 1.150 439 Y CA 1.704 59.783 58.100 -0.035 0.000 1.293 439 Y CB -0.911 37.527 38.460 -0.037 0.000 0.977 439 Y HN 0.431 nan 8.280 nan 0.000 0.556 440 T N -2.521 112.098 114.554 0.109 0.000 3.085 440 T HA -0.044 4.305 4.350 -0.002 0.000 0.263 440 T C 0.747 175.493 174.700 0.077 0.000 1.127 440 T CA 0.191 62.339 62.100 0.081 0.000 1.103 440 T CB -0.251 68.642 68.868 0.041 0.000 0.921 440 T HN 0.133 nan 8.240 nan 0.000 0.510 441 K N 2.270 122.712 120.400 0.071 0.000 2.150 441 K HA 0.406 4.725 4.320 -0.002 0.000 0.261 441 K C -1.183 175.479 176.600 0.103 0.000 1.127 441 K CA -0.278 56.050 56.287 0.069 0.000 0.989 441 K CB 0.698 33.223 32.500 0.042 0.000 1.475 441 K HN 0.165 nan 8.250 nan 0.000 0.391 442 V N 2.557 122.538 119.914 0.112 0.000 2.326 442 V HA 0.143 4.262 4.120 -0.002 0.000 0.281 442 V C 0.106 176.272 176.094 0.120 0.000 1.015 442 V CA -0.867 61.519 62.300 0.144 0.000 0.823 442 V CB 1.374 33.307 31.823 0.184 0.000 1.009 442 V HN 0.526 nan 8.190 nan 0.000 0.436 443 T N 3.470 118.064 114.554 0.066 0.000 2.845 443 T HA 0.197 4.546 4.350 -0.002 0.000 0.288 443 T C 0.006 174.645 174.700 -0.102 0.000 0.980 443 T CA -0.137 61.955 62.100 -0.013 0.000 1.071 443 T CB 1.187 70.016 68.868 -0.065 0.000 0.941 443 T HN 0.774 nan 8.240 nan 0.000 0.487 444 C N 5.469 124.636 119.300 -0.222 0.000 2.349 444 C HA 0.377 4.836 4.460 -0.002 0.000 0.348 444 C C 1.704 176.378 174.990 -0.528 0.000 1.223 444 C CA -0.623 57.998 59.018 -0.662 0.000 1.746 444 C CB -2.055 25.279 27.740 -0.678 0.000 2.360 444 C HN 0.964 nan 8.230 nan 0.000 0.533 445 L N 4.574 125.459 121.223 -0.562 0.000 2.418 445 L HA 0.043 4.382 4.340 -0.002 0.000 0.218 445 L C 2.243 178.821 176.870 -0.486 0.000 1.125 445 L CA 1.168 55.762 54.840 -0.410 0.000 0.835 445 L CB -0.211 41.650 42.059 -0.330 0.000 0.953 445 L HN 0.898 nan 8.230 nan 0.000 0.454 446 S N -3.000 112.300 115.700 -0.667 0.000 2.575 446 S HA -0.032 4.437 4.470 -0.002 0.000 0.230 446 S C 1.915 176.125 174.600 -0.651 0.000 1.062 446 S CA -0.024 57.684 58.200 -0.821 0.000 0.913 446 S CB -0.330 62.063 63.200 -1.345 0.000 0.837 446 S HN 0.312 nan 8.310 nan 0.000 0.487 447 C N 2.802 121.700 119.300 -0.669 0.000 2.385 447 C HA -0.031 4.428 4.460 -0.002 0.000 0.275 447 C C 2.283 176.997 174.990 -0.459 0.000 1.207 447 C CA 1.104 59.669 59.018 -0.754 0.000 1.760 447 C CB -0.986 26.041 27.740 -1.188 0.000 2.051 447 C HN 0.619 nan 8.230 nan 0.000 0.467 448 E N 0.254 120.264 120.200 -0.316 0.000 2.444 448 E HA 0.165 4.514 4.350 -0.002 0.000 0.191 448 E C 1.781 178.327 176.600 -0.091 0.000 1.041 448 E CA -0.061 56.248 56.400 -0.152 0.000 0.883 448 E CB -0.084 29.549 29.700 -0.111 0.000 1.024 448 E HN 0.672 nan 8.360 nan 0.000 0.470 449 L N 0.584 121.750 121.223 -0.096 0.000 2.005 449 L HA -0.082 4.256 4.340 -0.002 0.000 0.207 449 L C 0.793 177.672 176.870 0.016 0.000 1.072 449 L CA 1.083 55.907 54.840 -0.027 0.000 0.744 449 L CB -0.032 42.026 42.059 -0.001 0.000 0.895 449 L HN 0.060 nan 8.230 nan 0.000 0.433 450 N N -1.086 117.640 118.700 0.044 0.000 2.716 450 N HA 0.147 4.886 4.740 -0.002 0.000 0.245 450 N C -2.199 173.332 175.510 0.036 0.000 1.495 450 N CA -0.622 52.448 53.050 0.033 0.000 0.759 450 N CB 1.468 39.972 38.487 0.028 0.000 1.261 450 N HN -0.047 nan 8.380 nan 0.000 0.515 451 P HA -0.032 nan 4.420 nan 0.000 0.223 451 P C 0.872 178.211 177.300 0.065 0.000 1.151 451 P CA 1.250 64.387 63.100 0.062 0.000 0.787 451 P CB 0.659 32.408 31.700 0.081 0.000 0.788 452 E N -1.270 118.953 120.200 0.037 0.000 2.276 452 E HA 0.035 4.384 4.350 -0.002 0.000 0.193 452 E C 2.166 178.770 176.600 0.007 0.000 0.983 452 E CA 0.320 56.738 56.400 0.029 0.000 0.861 452 E CB -0.151 29.561 29.700 0.020 0.000 0.817 452 E HN 0.069 nan 8.360 nan 0.000 0.485 453 R N -0.655 119.838 120.500 -0.013 0.000 2.128 453 R HA 0.156 4.495 4.340 -0.002 0.000 0.211 453 R C -0.216 176.039 176.300 -0.075 0.000 1.067 453 R CA 0.633 56.703 56.100 -0.050 0.000 1.010 453 R CB 0.299 30.560 30.300 -0.064 0.000 0.922 453 R HN 0.097 nan 8.270 nan 0.000 0.457 454 c N 1.483 120.045 118.600 -0.064 0.000 2.264 454 c HA 0.408 4.976 4.570 -0.002 0.000 0.322 454 c C 0.080 174.149 174.090 -0.036 0.000 1.210 454 c CA -0.612 55.626 56.329 -0.152 0.000 1.539 454 c CB 1.058 43.419 42.510 -0.248 0.000 2.167 454 c HN 0.529 nan 8.230 nan 0.000 0.463 455 Q N 0.596 120.384 119.800 -0.020 0.000 2.139 455 Q HA 0.227 4.566 4.340 -0.002 0.000 0.219 455 Q C -0.973 175.095 176.000 0.114 0.000 0.805 455 Q CA 0.117 55.974 55.803 0.090 0.000 1.024 455 Q CB 0.973 29.784 28.738 0.121 0.000 1.163 455 Q HN 0.815 nan 8.270 nan 0.000 0.485 456 Y N 0.246 120.456 120.300 -0.150 0.000 2.317 456 Y HA 0.333 4.882 4.550 -0.002 0.000 0.329 456 Y C -1.614 174.159 175.900 -0.211 0.000 1.101 456 Y CA -0.990 57.045 58.100 -0.108 0.000 1.228 456 Y CB 0.724 39.123 38.460 -0.100 0.000 1.123 456 Y HN -0.054 nan 8.280 nan 0.000 0.457 457 Y N 2.045 122.290 120.300 -0.093 0.000 2.567 457 Y HA 0.714 5.263 4.550 -0.002 0.000 0.333 457 Y C 0.359 176.218 175.900 -0.068 0.000 1.106 457 Y CA -0.519 57.540 58.100 -0.068 0.000 1.157 457 Y CB 2.223 40.612 38.460 -0.118 0.000 1.277 457 Y HN 0.491 nan 8.280 nan 0.000 0.490 458 S N 0.154 115.950 115.700 0.160 0.000 2.661 458 S HA 0.852 5.321 4.470 -0.002 0.000 0.285 458 S C -1.757 172.915 174.600 0.119 0.000 1.138 458 S CA -0.741 57.532 58.200 0.121 0.000 0.855 458 S CB 1.772 65.052 63.200 0.132 0.000 1.136 458 S HN 0.622 nan 8.310 nan 0.000 0.484 459 V N 0.521 120.500 119.914 0.109 0.000 3.114 459 V HA 0.904 5.022 4.120 -0.002 0.000 0.308 459 V C -1.273 174.889 176.094 0.113 0.000 1.168 459 V CA 0.028 62.362 62.300 0.056 0.000 1.015 459 V CB 2.274 34.065 31.823 -0.052 0.000 1.050 459 V HN 1.421 nan 8.190 nan 0.000 0.433 460 S N 4.626 120.371 115.700 0.076 0.000 2.736 460 S HA 0.685 5.154 4.470 -0.002 0.000 0.285 460 S C -1.392 173.317 174.600 0.181 0.000 1.163 460 S CA -0.401 57.941 58.200 0.236 0.000 1.025 460 S CB 0.837 64.239 63.200 0.337 0.000 1.030 460 S HN 0.501 nan 8.310 nan 0.000 0.486 461 F N 3.159 123.191 119.950 0.138 0.000 2.397 461 F HA 0.532 5.058 4.527 -0.002 0.000 0.331 461 F C 1.342 176.819 175.800 -0.538 0.000 1.090 461 F CA -0.279 57.646 58.000 -0.126 0.000 1.065 461 F CB 1.875 40.777 39.000 -0.163 0.000 1.184 461 F HN 0.736 nan 8.300 nan 0.000 0.499 462 S N 2.126 117.222 115.700 -1.007 0.000 2.608 462 S HA 0.313 4.782 4.470 -0.002 0.000 0.261 462 S C -0.325 174.059 174.600 -0.360 0.000 1.314 462 S CA -1.109 56.297 58.200 -1.323 0.000 0.992 462 S CB 0.450 62.729 63.200 -1.535 0.000 0.935 462 S HN 0.510 nan 8.310 nan 0.000 0.564 463 K N 1.131 121.445 120.400 -0.144 0.000 2.436 463 K HA 0.044 4.363 4.320 -0.002 0.000 0.275 463 K C 0.314 176.904 176.600 -0.017 0.000 0.999 463 K CA 0.123 56.408 56.287 -0.004 0.000 0.980 463 K CB 0.050 32.592 32.500 0.070 0.000 0.919 463 K HN 0.728 nan 8.250 nan 0.000 0.484 464 E N 0.105 120.307 120.200 0.003 0.000 3.799 464 E HA -0.308 4.041 4.350 -0.002 0.000 0.320 464 E C 0.081 176.654 176.600 -0.046 0.000 0.760 464 E CA 1.075 57.474 56.400 -0.002 0.000 1.153 464 E CB -1.428 28.281 29.700 0.015 0.000 1.589 464 E HN 0.953 nan 8.360 nan 0.000 0.448 465 A N -0.067 122.709 122.820 -0.074 0.000 2.783 465 A HA -0.321 3.998 4.320 -0.002 0.000 0.292 465 A C 1.286 178.823 177.584 -0.079 0.000 1.495 465 A CA 1.953 53.953 52.037 -0.062 0.000 0.787 465 A CB -0.961 17.892 19.000 -0.245 0.000 1.017 465 A HN 0.200 nan 8.150 nan 0.000 0.516 466 K N -1.715 118.568 120.400 -0.195 0.000 2.432 466 K HA 0.141 4.460 4.320 -0.002 0.000 0.196 466 K C -0.186 175.937 176.600 -0.794 0.000 1.038 466 K CA 1.017 57.035 56.287 -0.448 0.000 0.986 466 K CB -0.019 32.168 32.500 -0.521 0.000 0.782 466 K HN 0.740 nan 8.250 nan 0.000 0.485 467 Y N -0.287 119.982 120.300 -0.052 0.000 2.524 467 Y HA 0.306 4.855 4.550 -0.002 0.000 0.347 467 Y C -0.547 175.322 175.900 -0.051 0.000 1.005 467 Y CA -1.978 56.090 58.100 -0.054 0.000 1.025 467 Y CB 1.531 39.974 38.460 -0.028 0.000 1.275 467 Y HN -0.019 nan 8.280 nan 0.000 0.460 468 Y N -0.642 119.677 120.300 0.032 0.000 2.492 468 Y HA 0.580 5.129 4.550 -0.002 0.000 0.346 468 Y C -0.954 174.997 175.900 0.085 0.000 0.997 468 Y CA -1.555 56.416 58.100 -0.215 0.000 1.025 468 Y CB 1.570 39.441 38.460 -0.982 0.000 1.263 468 Y HN 0.605 nan 8.280 nan 0.000 0.454 469 Q N 4.277 124.221 119.800 0.241 0.000 2.331 469 Q HA 0.508 4.847 4.340 -0.002 0.000 0.257 469 Q C -1.690 174.412 176.000 0.171 0.000 0.957 469 Q CA -0.520 55.377 55.803 0.157 0.000 0.923 469 Q CB 0.968 29.758 28.738 0.086 0.000 1.212 469 Q HN 0.964 nan 8.270 nan 0.000 0.443 470 L N 4.128 125.485 121.223 0.224 0.000 2.334 470 L HA 0.518 4.857 4.340 -0.002 0.000 0.277 470 L C -0.246 176.709 176.870 0.142 0.000 1.075 470 L CA -0.652 54.318 54.840 0.217 0.000 0.804 470 L CB 1.107 43.329 42.059 0.271 0.000 1.174 470 L HN 0.688 nan 8.230 nan 0.000 0.438 471 R N 2.441 123.000 120.500 0.097 0.000 2.507 471 R HA 0.428 4.767 4.340 -0.002 0.000 0.298 471 R C -1.046 175.112 176.300 -0.238 0.000 1.087 471 R CA -0.527 55.451 56.100 -0.202 0.000 0.917 471 R CB 0.821 31.022 30.300 -0.166 0.000 1.173 471 R HN 0.596 nan 8.270 nan 0.000 0.472 472 c N 2.059 120.383 118.600 -0.460 0.000 2.401 472 c HA 0.650 5.219 4.570 -0.002 0.000 0.365 472 c C 0.451 174.298 174.090 -0.405 0.000 1.250 472 c CA -0.249 55.683 56.329 -0.662 0.000 2.131 472 c CB 1.340 43.330 42.510 -0.867 0.000 2.445 472 c HN 0.976 nan 8.230 nan 0.000 0.550 473 S N 1.870 117.422 115.700 -0.246 0.000 2.666 473 S HA 0.566 5.034 4.470 -0.002 0.000 0.239 473 S C 0.282 174.833 174.600 -0.082 0.000 1.031 473 S CA 0.484 58.607 58.200 -0.129 0.000 1.015 473 S CB 0.193 63.350 63.200 -0.072 0.000 0.981 473 S HN 1.511 nan 8.310 nan 0.000 0.547 474 G N 1.396 110.134 108.800 -0.103 0.000 2.321 474 G HA2 0.263 4.221 3.960 -0.002 0.000 0.298 474 G HA3 0.263 4.221 3.960 -0.002 0.000 0.298 474 G C -3.108 171.766 174.900 -0.043 0.000 1.385 474 G CA -0.659 44.419 45.100 -0.036 0.000 0.856 474 G HN -0.157 nan 8.290 nan 0.000 0.584 475 P HA 0.150 nan 4.420 nan 0.000 0.225 475 P C 1.484 178.796 177.300 0.019 0.000 1.156 475 P CA 1.413 64.533 63.100 0.033 0.000 0.787 475 P CB 0.186 31.904 31.700 0.031 0.000 0.802 476 G N 0.100 108.849 108.800 -0.085 0.000 2.553 476 G HA2 0.329 4.288 3.960 -0.002 0.000 0.278 476 G HA3 0.329 4.288 3.960 -0.002 0.000 0.278 476 G C -0.325 174.342 174.900 -0.389 0.000 1.349 476 G CA -0.632 44.343 45.100 -0.207 0.000 1.037 476 G HN 0.048 nan 8.290 nan 0.000 0.508 477 L N 0.991 121.908 121.223 -0.510 0.000 2.461 477 L HA 0.177 4.515 4.340 -0.002 0.000 0.272 477 L C -1.867 174.842 176.870 -0.269 0.000 1.197 477 L CA -1.324 53.184 54.840 -0.554 0.000 0.836 477 L CB 0.668 42.476 42.059 -0.418 0.000 1.105 477 L HN 0.248 nan 8.230 nan 0.000 0.477 478 P HA 0.102 nan 4.420 nan 0.000 0.268 478 P C -0.955 176.299 177.300 -0.076 0.000 1.205 478 P CA 0.032 63.051 63.100 -0.134 0.000 0.771 478 P CB 0.616 32.318 31.700 0.004 0.000 0.858 479 L N 4.254 125.350 121.223 -0.213 0.000 2.438 479 L HA 0.453 4.792 4.340 -0.002 0.000 0.270 479 L C -1.600 175.164 176.870 -0.176 0.000 0.972 479 L CA -0.764 54.028 54.840 -0.081 0.000 0.831 479 L CB 1.299 43.301 42.059 -0.095 0.000 1.273 479 L HN 0.366 nan 8.230 nan 0.000 0.405 480 Y N 2.164 122.420 120.300 -0.074 0.000 2.328 480 Y HA 0.562 5.111 4.550 -0.002 0.000 0.336 480 Y C 0.463 176.250 175.900 -0.188 0.000 0.960 480 Y CA -0.568 57.473 58.100 -0.099 0.000 1.134 480 Y CB 2.256 40.647 38.460 -0.115 0.000 1.166 480 Y HN 0.539 nan 8.280 nan 0.000 0.464 481 T N 1.777 116.322 114.554 -0.016 0.000 2.900 481 T HA 0.577 4.926 4.350 -0.002 0.000 0.295 481 T C -1.368 173.194 174.700 -0.230 0.000 1.044 481 T CA -0.893 61.109 62.100 -0.163 0.000 0.995 481 T CB 1.766 70.562 68.868 -0.120 0.000 1.072 481 T HN 0.498 nan 8.240 nan 0.000 0.473 482 L N 2.461 123.441 121.223 -0.406 0.000 2.309 482 L HA 0.625 4.964 4.340 -0.002 0.000 0.282 482 L C -1.140 175.374 176.870 -0.593 0.000 1.036 482 L CA -0.426 54.222 54.840 -0.320 0.000 0.806 482 L CB 1.022 42.956 42.059 -0.209 0.000 1.220 482 L HN 0.949 nan 8.230 nan 0.000 0.429 483 H N 0.692 119.582 119.070 -0.301 0.000 2.930 483 H HA 0.334 4.889 4.556 -0.002 0.000 0.371 483 H C -0.368 174.784 175.328 -0.293 0.000 1.169 483 H CA -0.653 55.118 56.048 -0.462 0.000 1.157 483 H CB 1.845 30.976 29.762 -1.052 0.000 1.789 483 H HN 0.518 nan 8.280 nan 0.000 0.547 484 S N 0.668 116.376 115.700 0.014 0.000 2.480 484 S HA 0.199 4.668 4.470 -0.002 0.000 0.286 484 S C 0.549 175.135 174.600 -0.024 0.000 1.180 484 S CA -0.598 57.658 58.200 0.095 0.000 1.075 484 S CB 1.483 64.774 63.200 0.152 0.000 0.996 484 S HN 0.589 nan 8.310 nan 0.000 0.487 485 S N 2.705 118.381 115.700 -0.041 0.000 2.447 485 S HA -0.073 4.396 4.470 -0.002 0.000 0.233 485 S C 1.874 176.496 174.600 0.036 0.000 1.006 485 S CA 0.891 59.157 58.200 0.111 0.000 0.957 485 S CB -0.551 62.694 63.200 0.076 0.000 0.773 485 S HN 0.644 nan 8.310 nan 0.000 0.507 486 V N 1.980 121.876 119.914 -0.030 0.000 2.215 486 V HA -0.219 3.899 4.120 -0.002 0.000 0.249 486 V C 0.447 176.544 176.094 0.006 0.000 1.054 486 V CA 1.675 63.970 62.300 -0.010 0.000 1.012 486 V CB -0.676 31.137 31.823 -0.016 0.000 0.639 486 V HN 0.476 nan 8.190 nan 0.000 0.448 487 N N -0.358 118.348 118.700 0.010 0.000 2.851 487 N HA 0.324 5.063 4.740 -0.002 0.000 0.248 487 N C -1.102 174.418 175.510 0.018 0.000 1.221 487 N CA -0.257 52.800 53.050 0.011 0.000 0.847 487 N CB 0.411 38.906 38.487 0.013 0.000 1.150 487 N HN 0.349 nan 8.380 nan 0.000 0.507 488 D N 1.486 121.904 120.400 0.030 0.000 4.781 488 D HA -0.202 4.437 4.640 -0.002 0.000 0.254 488 D C 0.083 176.405 176.300 0.036 0.000 1.387 488 D CA 1.073 55.113 54.000 0.068 0.000 1.520 488 D CB 0.049 40.904 40.800 0.092 0.000 1.329 488 D HN 0.382 nan 8.370 nan 0.000 0.716 489 K N 0.806 121.224 120.400 0.030 0.000 2.130 489 K HA 0.472 4.791 4.320 -0.002 0.000 0.268 489 K C 0.476 177.110 176.600 0.057 0.000 0.983 489 K CA -0.830 55.478 56.287 0.034 0.000 0.893 489 K CB 1.088 33.597 32.500 0.014 0.000 1.066 489 K HN 0.251 nan 8.250 nan 0.000 0.450 490 G N 3.562 112.394 108.800 0.053 0.000 2.378 490 G HA2 0.208 4.167 3.960 -0.002 0.000 0.255 490 G HA3 0.208 4.167 3.960 -0.002 0.000 0.255 490 G C 0.427 175.235 174.900 -0.153 0.000 1.270 490 G CA -0.422 44.620 45.100 -0.095 0.000 0.876 490 G HN 0.680 nan 8.290 nan 0.000 0.521 491 L N 1.408 122.479 121.223 -0.252 0.000 2.347 491 L HA 0.400 4.738 4.340 -0.002 0.000 0.196 491 L C 1.451 178.233 176.870 -0.147 0.000 1.072 491 L CA 0.523 55.270 54.840 -0.155 0.000 0.817 491 L CB 0.128 42.105 42.059 -0.137 0.000 1.029 491 L HN 0.419 nan 8.230 nan 0.000 0.478 492 R N -1.631 118.745 120.500 -0.207 0.000 2.734 492 R HA 0.524 4.863 4.340 -0.002 0.000 0.271 492 R C -1.515 174.658 176.300 -0.213 0.000 1.021 492 R CA -0.693 55.307 56.100 -0.167 0.000 0.893 492 R CB 2.667 32.883 30.300 -0.139 0.000 1.244 492 R HN -0.309 nan 8.270 nan 0.000 0.464 493 V N 3.291 123.106 119.914 -0.163 0.000 2.394 493 V HA 0.228 4.347 4.120 -0.002 0.000 0.282 493 V C 0.850 176.815 176.094 -0.216 0.000 1.031 493 V CA -0.233 61.969 62.300 -0.163 0.000 0.881 493 V CB 1.401 33.165 31.823 -0.098 0.000 0.982 493 V HN 0.646 nan 8.190 nan 0.000 0.451 494 L N 2.537 123.561 121.223 -0.330 0.000 2.130 494 L HA 0.300 4.639 4.340 -0.002 0.000 0.200 494 L C 0.737 177.374 176.870 -0.388 0.000 1.075 494 L CA 0.754 55.216 54.840 -0.630 0.000 0.768 494 L CB 0.205 41.463 42.059 -1.334 0.000 0.933 494 L HN 0.644 nan 8.230 nan 0.000 0.451 495 E N -0.071 120.021 120.200 -0.181 0.000 2.291 495 E HA 0.118 4.467 4.350 -0.002 0.000 0.276 495 E C -1.145 175.503 176.600 0.080 0.000 0.896 495 E CA -0.443 55.955 56.400 -0.003 0.000 0.774 495 E CB 1.333 31.040 29.700 0.012 0.000 1.227 495 E HN 0.186 nan 8.360 nan 0.000 0.413 496 D N 3.038 123.465 120.400 0.046 0.000 2.431 496 D HA 0.127 4.766 4.640 -0.002 0.000 0.213 496 D C -0.307 176.012 176.300 0.031 0.000 1.130 496 D CA -0.249 53.772 54.000 0.035 0.000 0.834 496 D CB -0.062 40.737 40.800 -0.001 0.000 0.985 496 D HN 0.444 nan 8.370 nan 0.000 0.504 497 N N 0.440 119.172 118.700 0.054 0.000 2.708 497 N HA -0.246 4.492 4.740 -0.002 0.000 0.249 497 N C 1.147 176.668 175.510 0.018 0.000 1.097 497 N CA 0.946 54.022 53.050 0.043 0.000 0.710 497 N CB -1.396 37.111 38.487 0.035 0.000 1.032 497 N HN 0.507 nan 8.380 nan 0.000 0.551 498 S N -0.840 114.871 115.700 0.017 0.000 2.370 498 S HA -0.148 4.321 4.470 -0.002 0.000 0.226 498 S C 2.113 176.727 174.600 0.023 0.000 1.033 498 S CA 1.363 59.569 58.200 0.010 0.000 1.011 498 S CB -0.307 62.900 63.200 0.011 0.000 0.852 498 S HN 0.510 nan 8.310 nan 0.000 0.457 499 A N 2.569 125.412 122.820 0.038 0.000 1.873 499 A HA 0.003 4.321 4.320 -0.002 0.000 0.218 499 A C 2.358 179.983 177.584 0.069 0.000 1.193 499 A CA 1.670 53.739 52.037 0.053 0.000 0.629 499 A CB -1.104 17.931 19.000 0.059 0.000 0.826 499 A HN 0.556 nan 8.150 nan 0.000 0.447 500 L N -0.221 121.047 121.223 0.074 0.000 2.079 500 L HA -0.225 4.114 4.340 -0.002 0.000 0.210 500 L C 2.077 178.977 176.870 0.051 0.000 1.081 500 L CA 2.909 57.808 54.840 0.098 0.000 0.752 500 L CB -1.011 41.105 42.059 0.096 0.000 0.896 500 L HN 0.552 nan 8.230 nan 0.000 0.433 501 D N 0.170 120.574 120.400 0.007 0.000 2.106 501 D HA -0.284 4.355 4.640 -0.002 0.000 0.191 501 D C 2.223 178.523 176.300 -0.000 0.000 0.997 501 D CA 2.406 56.392 54.000 -0.024 0.000 0.834 501 D CB 0.073 40.854 40.800 -0.032 0.000 0.956 501 D HN 0.517 nan 8.370 nan 0.000 0.448 502 K N -0.334 120.080 120.400 0.023 0.000 2.097 502 K HA -0.111 4.208 4.320 -0.002 0.000 0.205 502 K C 2.306 178.939 176.600 0.055 0.000 1.050 502 K CA 1.200 57.507 56.287 0.033 0.000 0.938 502 K CB -0.368 32.154 32.500 0.036 0.000 0.718 502 K HN 0.204 nan 8.250 nan 0.000 0.442 503 M N 1.179 120.834 119.600 0.093 0.000 2.080 503 M HA -0.117 4.362 4.480 -0.002 0.000 0.260 503 M C 2.179 178.525 176.300 0.077 0.000 1.068 503 M CA 1.676 57.073 55.300 0.163 0.000 1.109 503 M CB -0.392 32.399 32.600 0.319 0.000 1.342 503 M HN 0.132 nan 8.290 nan 0.000 0.405 504 L N -0.501 120.712 121.223 -0.017 0.000 2.275 504 L HA -0.205 4.133 4.340 -0.002 0.000 0.215 504 L C 2.344 179.180 176.870 -0.057 0.000 1.119 504 L CA 0.972 55.738 54.840 -0.122 0.000 0.790 504 L CB -0.657 41.339 42.059 -0.105 0.000 0.919 504 L HN 0.415 nan 8.230 nan 0.000 0.443 505 Q N -0.130 119.661 119.800 -0.015 0.000 2.181 505 Q HA -0.205 4.134 4.340 -0.002 0.000 0.205 505 Q C 1.339 177.346 176.000 0.012 0.000 0.980 505 Q CA 1.297 57.099 55.803 -0.001 0.000 0.862 505 Q CB -0.100 28.644 28.738 0.011 0.000 0.905 505 Q HN 0.308 nan 8.270 nan 0.000 0.429 506 N N -0.072 118.643 118.700 0.026 0.000 2.322 506 N HA 0.066 4.805 4.740 -0.002 0.000 0.216 506 N C -1.494 174.044 175.510 0.046 0.000 1.144 506 N CA 0.017 53.095 53.050 0.047 0.000 0.830 506 N CB 0.585 39.117 38.487 0.074 0.000 1.034 506 N HN -0.130 nan 8.380 nan 0.000 0.484 507 V N 0.695 120.610 119.914 0.003 0.000 2.789 507 V HA 0.291 4.410 4.120 -0.002 0.000 0.311 507 V C -0.075 176.011 176.094 -0.013 0.000 1.073 507 V CA -0.958 61.342 62.300 0.000 0.000 0.921 507 V CB 2.200 33.974 31.823 -0.082 0.000 1.009 507 V HN 0.055 nan 8.190 nan 0.000 0.426 508 Q N 4.028 123.826 119.800 -0.004 0.000 2.641 508 Q HA 0.288 4.627 4.340 -0.002 0.000 0.225 508 Q C -0.337 175.621 176.000 -0.069 0.000 1.309 508 Q CA -0.115 55.647 55.803 -0.068 0.000 0.935 508 Q CB 0.234 28.916 28.738 -0.094 0.000 1.557 508 Q HN 0.526 nan 8.270 nan 0.000 0.563 509 M N 2.896 122.452 119.600 -0.073 0.000 2.241 509 M HA 0.315 4.794 4.480 -0.002 0.000 0.335 509 M C -2.001 174.239 176.300 -0.099 0.000 1.122 509 M CA -2.224 53.029 55.300 -0.078 0.000 1.164 509 M CB -0.129 32.429 32.600 -0.071 0.000 1.459 509 M HN 0.233 nan 8.290 nan 0.000 0.461 510 P HA 0.217 nan 4.420 nan 0.000 0.276 510 P C -0.691 176.539 177.300 -0.117 0.000 1.252 510 P CA -0.397 62.626 63.100 -0.128 0.000 0.802 510 P CB 0.460 32.069 31.700 -0.151 0.000 1.035 511 S N -0.360 115.260 115.700 -0.134 0.000 2.718 511 S HA 0.605 5.074 4.470 -0.002 0.000 0.300 511 S C -0.502 174.010 174.600 -0.145 0.000 1.117 511 S CA -0.743 57.387 58.200 -0.117 0.000 1.002 511 S CB 1.444 64.575 63.200 -0.115 0.000 1.092 511 S HN 0.473 nan 8.310 nan 0.000 0.542 512 K N 0.631 120.965 120.400 -0.111 0.000 2.463 512 K HA 0.357 4.675 4.320 -0.002 0.000 0.255 512 K C -1.282 175.257 176.600 -0.101 0.000 0.942 512 K CA -0.545 55.679 56.287 -0.106 0.000 0.814 512 K CB 1.101 33.561 32.500 -0.067 0.000 1.122 512 K HN 0.540 nan 8.250 nan 0.000 0.425 513 K N 5.489 125.812 120.400 -0.129 0.000 2.240 513 K HA 0.310 4.628 4.320 -0.002 0.000 0.271 513 K C -1.345 175.176 176.600 -0.132 0.000 1.018 513 K CA -0.574 55.636 56.287 -0.129 0.000 0.874 513 K CB 1.048 33.452 32.500 -0.161 0.000 1.098 513 K HN 0.707 nan 8.250 nan 0.000 0.458 514 L N 4.332 125.498 121.223 -0.094 0.000 2.319 514 L HA 0.421 4.760 4.340 -0.002 0.000 0.281 514 L C -1.055 175.801 176.870 -0.024 0.000 1.005 514 L CA -0.128 54.691 54.840 -0.035 0.000 0.828 514 L CB 1.077 43.185 42.059 0.082 0.000 1.227 514 L HN 0.705 nan 8.230 nan 0.000 0.415 515 D N 2.991 123.256 120.400 -0.225 0.000 2.970 515 D HA 0.457 5.096 4.640 -0.002 0.000 0.344 515 D C -1.641 174.482 176.300 -0.296 0.000 1.365 515 D CA -0.016 53.818 54.000 -0.278 0.000 0.910 515 D CB 1.777 42.330 40.800 -0.412 0.000 1.445 515 D HN 0.263 nan 8.370 nan 0.000 0.532 516 F N -0.039 119.718 119.950 -0.322 0.000 2.643 516 F HA 0.747 5.273 4.527 -0.002 0.000 0.314 516 F C -0.856 175.032 175.800 0.147 0.000 1.096 516 F CA -1.072 56.793 58.000 -0.226 0.000 0.953 516 F CB 1.019 39.398 39.000 -1.036 0.000 1.345 516 F HN 0.307 nan 8.300 nan 0.000 0.468 517 I N 0.158 121.013 120.570 0.474 0.000 2.785 517 I HA 0.653 4.821 4.170 -0.002 0.000 0.302 517 I C -1.462 174.884 176.117 0.383 0.000 1.069 517 I CA -1.182 60.325 61.300 0.344 0.000 1.045 517 I CB 2.518 40.676 38.000 0.262 0.000 1.236 517 I HN 0.661 nan 8.210 nan 0.000 0.429 518 I N 4.387 125.119 120.570 0.271 0.000 2.339 518 I HA 0.287 4.456 4.170 -0.002 0.000 0.290 518 I C 0.305 176.545 176.117 0.206 0.000 0.994 518 I CA -0.368 61.071 61.300 0.231 0.000 1.191 518 I CB 1.996 40.099 38.000 0.172 0.000 1.343 518 I HN 0.688 nan 8.210 nan 0.000 0.458 519 L N 5.459 126.847 121.223 0.275 0.000 2.327 519 L HA 0.125 4.463 4.340 -0.002 0.000 0.192 519 L C 1.518 178.477 176.870 0.147 0.000 1.158 519 L CA 0.509 55.482 54.840 0.222 0.000 0.813 519 L CB -0.131 42.116 42.059 0.313 0.000 1.021 519 L HN 0.600 nan 8.230 nan 0.000 0.481 520 N N 0.147 118.947 118.700 0.168 0.000 2.077 520 N HA 0.005 4.743 4.740 -0.002 0.000 0.236 520 N C 0.460 176.014 175.510 0.074 0.000 1.060 520 N CA 0.540 53.647 53.050 0.095 0.000 1.130 520 N CB -0.108 38.428 38.487 0.082 0.000 1.478 520 N HN 0.120 nan 8.380 nan 0.000 0.586 521 E N 0.074 120.306 120.200 0.053 0.000 2.609 521 E HA 0.275 4.624 4.350 -0.002 0.000 0.208 521 E C -0.808 175.794 176.600 0.003 0.000 1.013 521 E CA -0.045 56.371 56.400 0.028 0.000 1.093 521 E CB 0.530 30.237 29.700 0.012 0.000 1.129 521 E HN 0.200 nan 8.360 nan 0.000 0.450 522 T N 0.630 115.194 114.554 0.016 0.000 2.886 522 T HA 0.272 4.621 4.350 -0.002 0.000 0.292 522 T C -0.333 174.242 174.700 -0.209 0.000 1.012 522 T CA -0.867 61.160 62.100 -0.122 0.000 0.982 522 T CB 1.826 70.590 68.868 -0.174 0.000 1.018 522 T HN -0.060 nan 8.240 nan 0.000 0.451 523 K N 2.214 122.411 120.400 -0.339 0.000 2.339 523 K HA 0.415 4.734 4.320 -0.002 0.000 0.286 523 K C -1.107 175.178 176.600 -0.524 0.000 1.050 523 K CA -0.047 56.027 56.287 -0.354 0.000 0.956 523 K CB 0.397 32.578 32.500 -0.532 0.000 0.990 523 K HN 0.407 nan 8.250 nan 0.000 0.475 524 F N 2.087 122.083 119.950 0.077 0.000 2.518 524 F HA 0.301 4.827 4.527 -0.002 0.000 0.323 524 F C -0.548 175.367 175.800 0.190 0.000 1.129 524 F CA -0.806 57.267 58.000 0.123 0.000 0.920 524 F CB 1.002 40.089 39.000 0.145 0.000 1.160 524 F HN 0.427 nan 8.300 nan 0.000 0.440 525 W N 4.081 125.547 121.300 0.277 0.000 2.376 525 W HA 0.519 5.178 4.660 -0.002 0.000 0.322 525 W C -0.599 176.156 176.519 0.395 0.000 1.160 525 W CA -0.643 56.898 57.345 0.327 0.000 1.218 525 W CB 0.794 30.367 29.460 0.189 0.000 1.205 525 W HN 0.440 nan 8.180 nan 0.000 0.559 526 Y N 0.028 120.673 120.300 0.575 0.000 2.605 526 Y HA 0.703 5.251 4.550 -0.002 0.000 0.343 526 Y C -0.800 175.329 175.900 0.382 0.000 1.036 526 Y CA -1.959 56.466 58.100 0.541 0.000 1.065 526 Y CB 1.168 40.057 38.460 0.716 0.000 1.288 526 Y HN 0.552 nan 8.280 nan 0.000 0.481 527 Q N 2.178 122.177 119.800 0.333 0.000 2.394 527 Q HA 0.703 5.042 4.340 -0.002 0.000 0.273 527 Q C -1.760 174.346 176.000 0.177 0.000 1.089 527 Q CA -1.062 54.806 55.803 0.109 0.000 0.812 527 Q CB 3.080 31.880 28.738 0.103 0.000 1.353 527 Q HN 0.907 nan 8.270 nan 0.000 0.438 528 M N 2.522 122.150 119.600 0.047 0.000 2.465 528 M HA 0.515 4.994 4.480 -0.002 0.000 0.316 528 M C -1.289 174.951 176.300 -0.099 0.000 1.121 528 M CA -0.720 54.571 55.300 -0.014 0.000 0.934 528 M CB 2.286 34.853 32.600 -0.055 0.000 1.692 528 M HN 0.676 nan 8.290 nan 0.000 0.444 529 I N 4.680 125.182 120.570 -0.112 0.000 2.359 529 I HA 0.338 4.507 4.170 -0.002 0.000 0.284 529 I C -1.048 174.935 176.117 -0.223 0.000 1.018 529 I CA -0.429 60.780 61.300 -0.153 0.000 1.173 529 I CB 0.732 38.661 38.000 -0.117 0.000 1.326 529 I HN 0.498 nan 8.210 nan 0.000 0.462 530 L N 8.353 129.394 121.223 -0.303 0.000 2.325 530 L HA 0.511 4.849 4.340 -0.002 0.000 0.279 530 L C -2.329 174.379 176.870 -0.270 0.000 1.054 530 L CA -1.967 52.614 54.840 -0.431 0.000 0.804 530 L CB 0.950 42.578 42.059 -0.718 0.000 1.200 530 L HN 0.235 nan 8.230 nan 0.000 0.436 531 P HA 0.150 nan 4.420 nan 0.000 0.272 531 P C -2.500 174.769 177.300 -0.051 0.000 1.223 531 P CA -1.273 61.771 63.100 -0.093 0.000 0.784 531 P CB -0.117 31.580 31.700 -0.004 0.000 0.923 532 P HA -0.009 nan 4.420 nan 0.000 0.269 532 P C -0.355 176.900 177.300 -0.075 0.000 1.209 532 P CA 0.361 63.344 63.100 -0.195 0.000 0.776 532 P CB -0.052 31.403 31.700 -0.407 0.000 0.876 533 H N -2.409 116.700 119.070 0.065 0.000 2.903 533 H HA -0.203 4.352 4.556 -0.002 0.000 0.285 533 H C 0.107 175.490 175.328 0.090 0.000 1.231 533 H CA -0.490 55.596 56.048 0.063 0.000 1.135 533 H CB -2.179 27.613 29.762 0.051 0.000 1.328 533 H HN 0.340 nan 8.280 nan 0.000 0.388 534 F N 2.473 122.441 119.950 0.030 0.000 2.629 534 F HA 0.127 4.653 4.527 -0.002 0.000 0.369 534 F C 0.553 176.361 175.800 0.013 0.000 1.125 534 F CA 0.412 58.368 58.000 -0.072 0.000 1.330 534 F CB 0.591 39.437 39.000 -0.257 0.000 1.071 534 F HN 0.261 nan 8.300 nan 0.000 0.595 535 D N 5.172 125.047 120.400 -0.875 0.000 2.386 535 D HA 0.118 4.756 4.640 -0.002 0.000 0.247 535 D C 0.228 176.100 176.300 -0.712 0.000 1.336 535 D CA -0.578 53.093 54.000 -0.549 0.000 0.976 535 D CB 0.943 41.638 40.800 -0.175 0.000 1.257 535 D HN 0.653 nan 8.370 nan 0.000 0.570 536 K N 1.231 121.241 120.400 -0.651 0.000 2.585 536 K HA -0.111 4.208 4.320 -0.002 0.000 0.194 536 K C 1.040 177.636 176.600 -0.007 0.000 1.037 536 K CA 1.237 57.371 56.287 -0.255 0.000 0.964 536 K CB -0.076 32.440 32.500 0.026 0.000 0.787 536 K HN 0.204 nan 8.250 nan 0.000 0.488 537 S N -0.296 115.360 115.700 -0.073 0.000 2.470 537 S HA 0.090 4.559 4.470 -0.002 0.000 0.222 537 S C 0.678 175.258 174.600 -0.033 0.000 1.024 537 S CA -0.306 57.878 58.200 -0.027 0.000 0.931 537 S CB 0.110 63.282 63.200 -0.047 0.000 0.791 537 S HN 0.074 nan 8.310 nan 0.000 0.513 538 K N 1.869 122.223 120.400 -0.076 0.000 2.098 538 K HA 0.404 4.723 4.320 -0.002 0.000 0.257 538 K C -0.493 176.048 176.600 -0.097 0.000 0.999 538 K CA -0.237 55.953 56.287 -0.161 0.000 0.924 538 K CB 0.798 33.082 32.500 -0.360 0.000 1.028 538 K HN 0.254 nan 8.250 nan 0.000 0.466 539 K N 2.324 122.624 120.400 -0.166 0.000 2.240 539 K HA 0.258 4.577 4.320 -0.002 0.000 0.271 539 K C -0.781 175.729 176.600 -0.150 0.000 1.018 539 K CA -0.460 55.802 56.287 -0.041 0.000 0.874 539 K CB 0.720 33.193 32.500 -0.046 0.000 1.098 539 K HN 0.347 nan 8.250 nan 0.000 0.458 540 Y N 2.624 122.960 120.300 0.061 0.000 2.420 540 Y HA 0.290 4.838 4.550 -0.002 0.000 0.334 540 Y C -2.017 173.834 175.900 -0.081 0.000 1.094 540 Y CA -2.856 55.252 58.100 0.013 0.000 1.126 540 Y CB 0.813 39.341 38.460 0.112 0.000 1.217 540 Y HN 0.486 nan 8.280 nan 0.000 0.462 541 P HA 0.219 nan 4.420 nan 0.000 0.275 541 P C -1.089 176.069 177.300 -0.238 0.000 1.228 541 P CA -0.247 62.593 63.100 -0.434 0.000 0.786 541 P CB 1.328 32.390 31.700 -1.064 0.000 0.927 542 L N 2.772 123.914 121.223 -0.134 0.000 2.386 542 L HA 0.524 4.862 4.340 -0.002 0.000 0.271 542 L C -1.230 175.842 176.870 0.337 0.000 0.993 542 L CA -0.939 53.968 54.840 0.111 0.000 0.819 542 L CB 1.591 43.721 42.059 0.119 0.000 1.294 542 L HN 0.224 nan 8.230 nan 0.000 0.414 543 L N 6.055 127.483 121.223 0.342 0.000 2.280 543 L HA 0.422 4.761 4.340 -0.002 0.000 0.287 543 L C -1.016 176.086 176.870 0.387 0.000 1.023 543 L CA -0.616 54.472 54.840 0.412 0.000 0.819 543 L CB 1.542 43.794 42.059 0.323 0.000 1.212 543 L HN 0.657 nan 8.230 nan 0.000 0.420 544 L N 4.897 126.390 121.223 0.449 0.000 2.260 544 L HA 0.240 4.579 4.340 -0.002 0.000 0.289 544 L C -0.555 176.552 176.870 0.394 0.000 1.057 544 L CA -0.223 54.873 54.840 0.426 0.000 0.811 544 L CB 1.234 43.577 42.059 0.474 0.000 1.184 544 L HN 0.585 nan 8.230 nan 0.000 0.429 545 D N 4.654 125.261 120.400 0.345 0.000 2.359 545 D HA 0.334 4.973 4.640 -0.002 0.000 0.230 545 D C -0.835 175.551 176.300 0.144 0.000 1.118 545 D CA -0.186 53.949 54.000 0.226 0.000 0.844 545 D CB 1.371 42.374 40.800 0.339 0.000 1.059 545 D HN 0.104 nan 8.370 nan 0.000 0.493 546 V N 5.022 124.956 119.914 0.033 0.000 2.715 546 V HA 0.326 4.445 4.120 -0.002 0.000 0.310 546 V C -0.252 175.944 176.094 0.171 0.000 1.054 546 V CA -0.681 61.699 62.300 0.133 0.000 0.928 546 V CB 1.512 33.411 31.823 0.128 0.000 1.007 546 V HN 0.607 nan 8.190 nan 0.000 0.437 547 Y N 3.034 123.408 120.300 0.124 0.000 3.127 547 Y HA 0.565 5.114 4.550 -0.002 0.000 0.196 547 Y C 1.559 177.622 175.900 0.273 0.000 0.920 547 Y CA 1.095 59.300 58.100 0.174 0.000 1.664 547 Y CB 0.034 38.579 38.460 0.142 0.000 1.399 547 Y HN 0.761 nan 8.280 nan 0.000 0.435 548 A N 0.433 123.393 122.820 0.233 0.000 3.080 548 A HA -0.112 4.207 4.320 -0.002 0.000 0.254 548 A C 0.896 178.367 177.584 -0.188 0.000 1.277 548 A CA 0.869 52.981 52.037 0.125 0.000 1.065 548 A CB -2.502 16.627 19.000 0.214 0.000 1.160 548 A HN 1.009 nan 8.150 nan 0.000 0.886 549 G N -0.630 107.754 108.800 -0.694 0.000 2.572 549 G HA2 0.528 4.486 3.960 -0.002 0.000 0.261 549 G HA3 0.528 4.486 3.960 -0.002 0.000 0.261 549 G C -2.226 172.359 174.900 -0.525 0.000 1.197 549 G CA -0.942 43.292 45.100 -1.442 0.000 0.870 549 G HN 0.269 nan 8.290 nan 0.000 0.548 550 P HA 0.025 nan 4.420 nan 0.000 0.261 550 P C 0.657 177.858 177.300 -0.164 0.000 1.183 550 P CA 0.138 63.003 63.100 -0.392 0.000 0.761 550 P CB 0.569 31.700 31.700 -0.949 0.000 0.785 551 C N 2.492 121.734 119.300 -0.097 0.000 4.456 551 C HA -0.138 4.321 4.460 -0.002 0.000 0.288 551 C C 0.825 175.878 174.990 0.106 0.000 1.374 551 C CA 1.139 60.065 59.018 -0.154 0.000 1.956 551 C CB -2.672 24.783 27.740 -0.474 0.000 1.255 551 C HN 0.802 nan 8.230 nan 0.000 0.788 552 S N 0.068 115.882 115.700 0.189 0.000 2.654 552 S HA 0.669 5.138 4.470 -0.002 0.000 0.283 552 S C -0.749 174.020 174.600 0.282 0.000 1.180 552 S CA -0.201 58.195 58.200 0.327 0.000 1.021 552 S CB 1.849 65.323 63.200 0.457 0.000 1.018 552 S HN 0.761 nan 8.310 nan 0.000 0.532 553 Q N 0.422 120.411 119.800 0.315 0.000 2.295 553 Q HA 0.360 4.698 4.340 -0.002 0.000 0.259 553 Q C -0.525 175.603 176.000 0.214 0.000 0.966 553 Q CA -0.683 55.290 55.803 0.285 0.000 0.763 553 Q CB 1.109 30.073 28.738 0.377 0.000 1.283 553 Q HN 0.680 nan 8.270 nan 0.000 0.445 554 K N 0.986 121.511 120.400 0.208 0.000 2.354 554 K HA 0.296 4.615 4.320 -0.002 0.000 0.194 554 K C -0.215 176.488 176.600 0.171 0.000 1.038 554 K CA 0.337 56.734 56.287 0.184 0.000 1.052 554 K CB 1.191 33.827 32.500 0.226 0.000 0.861 554 K HN 0.526 nan 8.250 nan 0.000 0.535 555 A N 2.823 125.756 122.820 0.189 0.000 2.273 555 A HA 0.427 4.746 4.320 -0.002 0.000 0.320 555 A C -0.706 176.946 177.584 0.113 0.000 1.358 555 A CA -0.510 51.639 52.037 0.185 0.000 0.910 555 A CB 0.180 19.352 19.000 0.288 0.000 1.159 555 A HN 0.259 nan 8.150 nan 0.000 0.526 556 D N -0.026 120.412 120.400 0.064 0.000 2.825 556 D HA 0.393 5.032 4.640 -0.002 0.000 0.327 556 D C 0.205 176.508 176.300 0.004 0.000 1.277 556 D CA 0.324 54.344 54.000 0.033 0.000 0.950 556 D CB 0.248 41.062 40.800 0.024 0.000 1.438 556 D HN 0.197 nan 8.370 nan 0.000 0.526 557 T N -1.920 112.645 114.554 0.019 0.000 3.243 557 T HA 0.413 4.762 4.350 -0.002 0.000 0.264 557 T C 0.230 174.880 174.700 -0.084 0.000 1.000 557 T CA -0.427 61.682 62.100 0.014 0.000 0.901 557 T CB -0.788 68.136 68.868 0.094 0.000 1.083 557 T HN 0.280 nan 8.240 nan 0.000 0.559 558 V N 2.159 121.927 119.914 -0.245 0.000 2.649 558 V HA 0.402 4.521 4.120 -0.002 0.000 0.292 558 V C -0.019 176.018 176.094 -0.095 0.000 1.055 558 V CA -1.064 61.060 62.300 -0.294 0.000 1.023 558 V CB 0.622 32.147 31.823 -0.497 0.000 0.992 558 V HN 0.583 nan 8.190 nan 0.000 0.480 559 F N 5.723 125.574 119.950 -0.165 0.000 2.421 559 F HA 0.542 5.068 4.527 -0.002 0.000 0.358 559 F C 0.454 176.196 175.800 -0.097 0.000 1.115 559 F CA -0.217 57.713 58.000 -0.117 0.000 1.160 559 F CB 0.207 39.148 39.000 -0.099 0.000 1.123 559 F HN 0.402 nan 8.300 nan 0.000 0.508 560 R N 6.636 126.649 120.500 -0.811 0.000 2.621 560 R HA 0.532 4.871 4.340 -0.002 0.000 0.292 560 R C -1.504 174.361 176.300 -0.724 0.000 0.969 560 R CA -1.038 54.710 56.100 -0.587 0.000 0.887 560 R CB 2.098 32.223 30.300 -0.292 0.000 1.180 560 R HN 0.665 nan 8.270 nan 0.000 0.450 561 L N 4.569 125.538 121.223 -0.423 0.000 2.283 561 L HA 0.370 4.709 4.340 -0.002 0.000 0.281 561 L C -0.412 176.414 176.870 -0.072 0.000 1.033 561 L CA -0.544 54.113 54.840 -0.305 0.000 0.848 561 L CB 0.320 42.331 42.059 -0.080 0.000 1.226 561 L HN 0.757 nan 8.230 nan 0.000 0.429 562 N N 0.425 119.010 118.700 -0.191 0.000 3.479 562 N HA 0.167 4.906 4.740 -0.002 0.000 0.336 562 N C 0.223 175.377 175.510 -0.593 0.000 1.623 562 N CA -0.843 52.022 53.050 -0.309 0.000 0.759 562 N CB 0.112 38.523 38.487 -0.126 0.000 2.016 562 N HN 0.265 nan 8.380 nan 0.000 0.637 563 W N 0.781 121.492 121.300 -0.982 0.000 2.354 563 W HA 0.187 4.846 4.660 -0.002 0.000 0.315 563 W C 2.212 178.657 176.519 -0.123 0.000 1.206 563 W CA 3.043 60.023 57.345 -0.609 0.000 1.290 563 W CB -1.174 28.065 29.460 -0.369 0.000 1.152 563 W HN 0.697 nan 8.180 nan 0.000 0.489 564 A N -0.263 122.508 122.820 -0.082 0.000 1.958 564 A HA -0.286 4.033 4.320 -0.002 0.000 0.221 564 A C 1.944 179.408 177.584 -0.200 0.000 1.178 564 A CA 2.796 54.720 52.037 -0.188 0.000 0.642 564 A CB -1.398 17.586 19.000 -0.027 0.000 0.816 564 A HN 0.346 nan 8.150 nan 0.000 0.453 565 T N -1.453 112.998 114.554 -0.171 0.000 2.665 565 T HA -0.229 4.119 4.350 -0.002 0.000 0.268 565 T C 1.792 176.506 174.700 0.022 0.000 1.035 565 T CA 1.900 63.879 62.100 -0.203 0.000 1.151 565 T CB -0.464 68.108 68.868 -0.493 0.000 0.862 565 T HN 0.730 nan 8.240 nan 0.000 0.438 566 Y N 1.734 122.089 120.300 0.092 0.000 2.200 566 Y HA 0.027 4.576 4.550 -0.002 0.000 0.290 566 Y C 1.969 177.840 175.900 -0.047 0.000 1.137 566 Y CA 0.859 59.053 58.100 0.156 0.000 1.163 566 Y CB -0.708 37.847 38.460 0.158 0.000 0.988 566 Y HN 0.126 nan 8.280 nan 0.000 0.518 567 L N 0.177 120.986 121.223 -0.690 0.000 2.079 567 L HA -0.241 4.098 4.340 -0.002 0.000 0.210 567 L C 2.757 179.370 176.870 -0.428 0.000 1.081 567 L CA 1.319 55.683 54.840 -0.793 0.000 0.752 567 L CB -0.910 40.726 42.059 -0.705 0.000 0.896 567 L HN 0.449 nan 8.230 nan 0.000 0.433 568 A N -1.216 121.439 122.820 -0.275 0.000 1.855 568 A HA -0.164 4.154 4.320 -0.002 0.000 0.213 568 A C 2.507 180.027 177.584 -0.107 0.000 1.195 568 A CA 1.585 53.523 52.037 -0.164 0.000 0.610 568 A CB -0.605 18.302 19.000 -0.155 0.000 0.837 568 A HN 0.326 nan 8.150 nan 0.000 0.444 569 S N -1.089 114.569 115.700 -0.069 0.000 2.368 569 S HA -0.109 4.360 4.470 -0.002 0.000 0.224 569 S C 1.939 176.556 174.600 0.027 0.000 1.029 569 S CA 2.264 60.466 58.200 0.003 0.000 0.988 569 S CB -0.401 62.861 63.200 0.103 0.000 0.838 569 S HN 0.557 nan 8.310 nan 0.000 0.462 570 T N 1.135 115.700 114.554 0.018 0.000 2.983 570 T HA 0.193 4.541 4.350 -0.002 0.000 0.250 570 T C 1.275 175.958 174.700 -0.028 0.000 1.037 570 T CA 0.533 62.664 62.100 0.052 0.000 1.142 570 T CB -0.074 68.926 68.868 0.221 0.000 0.876 570 T HN 0.319 nan 8.240 nan 0.000 0.455 571 E N 1.441 121.532 120.200 -0.181 0.000 2.474 571 E HA 0.167 4.515 4.350 -0.002 0.000 0.195 571 E C -0.028 176.550 176.600 -0.038 0.000 1.039 571 E CA -0.106 56.224 56.400 -0.117 0.000 0.881 571 E CB -0.068 29.499 29.700 -0.221 0.000 0.970 571 E HN 0.335 nan 8.360 nan 0.000 0.486 572 N N 0.870 119.559 118.700 -0.019 0.000 2.725 572 N HA -0.211 4.528 4.740 -0.002 0.000 0.251 572 N C -0.568 175.007 175.510 0.108 0.000 1.031 572 N CA 0.710 53.811 53.050 0.085 0.000 0.720 572 N CB -1.583 36.993 38.487 0.148 0.000 0.930 572 N HN 0.301 nan 8.380 nan 0.000 0.543 573 I N 1.012 121.584 120.570 0.003 0.000 2.354 573 I HA 0.325 4.494 4.170 -0.002 0.000 0.292 573 I C 1.048 177.150 176.117 -0.025 0.000 0.989 573 I CA -0.705 60.602 61.300 0.012 0.000 1.188 573 I CB 1.251 39.258 38.000 0.012 0.000 1.342 573 I HN -0.029 nan 8.210 nan 0.000 0.457 574 I N 6.607 127.176 120.570 -0.002 0.000 2.556 574 I HA 0.091 4.260 4.170 -0.002 0.000 0.284 574 I C -0.332 175.785 176.117 -0.000 0.000 1.114 574 I CA -0.070 61.197 61.300 -0.054 0.000 1.418 574 I CB 0.810 38.792 38.000 -0.030 0.000 1.394 574 I HN 0.215 nan 8.210 nan 0.000 0.552 575 V N 6.790 126.690 119.914 -0.023 0.000 2.349 575 V HA 0.548 4.667 4.120 -0.002 0.000 0.284 575 V C 0.203 176.344 176.094 0.079 0.000 1.014 575 V CA -0.498 61.835 62.300 0.054 0.000 0.826 575 V CB 1.249 33.087 31.823 0.026 0.000 1.009 575 V HN 0.830 nan 8.190 nan 0.000 0.431 576 A N 3.892 126.798 122.820 0.143 0.000 2.324 576 A HA 0.913 5.232 4.320 -0.002 0.000 0.330 576 A C -0.029 177.742 177.584 0.311 0.000 1.165 576 A CA -0.401 51.736 52.037 0.166 0.000 0.813 576 A CB 1.466 20.481 19.000 0.025 0.000 1.197 576 A HN 0.661 nan 8.150 nan 0.000 0.484 577 S N 0.064 115.978 115.700 0.357 0.000 2.600 577 S HA 0.822 5.291 4.470 -0.002 0.000 0.300 577 S C -1.374 173.586 174.600 0.599 0.000 1.087 577 S CA -0.287 58.163 58.200 0.416 0.000 0.965 577 S CB 1.297 64.681 63.200 0.306 0.000 1.089 577 S HN 0.716 nan 8.310 nan 0.000 0.496 578 F N 1.448 121.630 119.950 0.387 0.000 2.581 578 F HA 0.478 5.004 4.527 -0.002 0.000 0.311 578 F C -1.660 174.344 175.800 0.341 0.000 1.113 578 F CA -0.874 57.373 58.000 0.412 0.000 0.935 578 F CB 1.664 40.860 39.000 0.327 0.000 1.232 578 F HN 0.374 nan 8.300 nan 0.000 0.445 579 D N 3.986 124.192 120.400 -0.323 0.000 2.472 579 D HA 0.434 5.073 4.640 -0.002 0.000 0.234 579 D C 0.248 176.287 176.300 -0.435 0.000 1.088 579 D CA 0.132 54.028 54.000 -0.173 0.000 0.882 579 D CB 1.457 42.313 40.800 0.093 0.000 1.037 579 D HN 0.774 nan 8.370 nan 0.000 0.520 580 G N 1.094 109.688 108.800 -0.343 0.000 2.736 580 G HA2 0.327 4.286 3.960 -0.002 0.000 0.229 580 G HA3 0.327 4.286 3.960 -0.002 0.000 0.229 580 G C 0.081 175.012 174.900 0.052 0.000 1.380 580 G CA -0.745 44.194 45.100 -0.267 0.000 1.040 580 G HN 0.292 nan 8.290 nan 0.000 0.568 581 R N -0.736 119.781 120.500 0.028 0.000 2.566 581 R HA 0.300 4.639 4.340 -0.002 0.000 0.273 581 R C 1.371 177.761 176.300 0.151 0.000 0.981 581 R CA 1.622 57.815 56.100 0.155 0.000 1.091 581 R CB 0.208 30.585 30.300 0.129 0.000 0.924 581 R HN 1.142 nan 8.270 nan 0.000 0.411 582 G N 1.152 110.035 108.800 0.137 0.000 2.241 582 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.244 582 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.244 582 G C 0.215 175.145 174.900 0.049 0.000 0.998 582 G CA 0.276 45.438 45.100 0.103 0.000 0.621 582 G HN 0.744 nan 8.290 nan 0.000 0.519 583 S N 0.105 115.846 115.700 0.069 0.000 2.617 583 S HA 0.707 5.176 4.470 -0.002 0.000 0.259 583 S C 0.806 175.392 174.600 -0.023 0.000 1.301 583 S CA 0.547 58.780 58.200 0.055 0.000 0.984 583 S CB 1.744 65.009 63.200 0.108 0.000 0.954 583 S HN 1.736 nan 8.310 nan 0.000 0.572 584 G N -1.737 107.014 108.800 -0.083 0.000 3.108 584 G HA2 0.520 4.479 3.960 -0.002 0.000 0.268 584 G HA3 0.520 4.479 3.960 -0.002 0.000 0.268 584 G C -1.158 173.624 174.900 -0.196 0.000 1.361 584 G CA -1.005 43.906 45.100 -0.315 0.000 1.047 584 G HN 0.895 nan 8.290 nan 0.000 0.540 585 Y N -2.020 118.278 120.300 -0.003 0.000 4.409 585 Y HA -0.211 4.338 4.550 -0.002 0.000 0.228 585 Y C 1.259 177.170 175.900 0.018 0.000 1.108 585 Y CA 1.062 59.169 58.100 0.012 0.000 1.955 585 Y CB -2.241 36.241 38.460 0.036 0.000 1.615 585 Y HN 0.519 nan 8.280 nan 0.000 0.665 586 Q N -0.272 119.559 119.800 0.052 0.000 2.055 586 Q HA 0.504 4.843 4.340 -0.002 0.000 0.226 586 Q C 1.002 176.923 176.000 -0.132 0.000 0.805 586 Q CA 0.169 56.014 55.803 0.069 0.000 1.072 586 Q CB 1.483 30.254 28.738 0.055 0.000 1.219 586 Q HN 0.604 nan 8.270 nan 0.000 0.451 587 G N 0.835 109.434 108.800 -0.334 0.000 2.757 587 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.638 587 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.638 587 G C -0.449 174.079 174.900 -0.620 0.000 1.344 587 G CA -0.330 44.289 45.100 -0.801 0.000 0.855 587 G HN 0.175 nan 8.290 nan 0.000 0.537 588 D N -0.375 119.605 120.400 -0.700 0.000 2.249 588 D HA 0.034 4.673 4.640 -0.002 0.000 0.205 588 D C 2.222 178.242 176.300 -0.467 0.000 0.962 588 D CA 1.140 54.700 54.000 -0.733 0.000 0.860 588 D CB -0.006 40.318 40.800 -0.793 0.000 0.955 588 D HN 0.548 nan 8.370 nan 0.000 0.505 589 K N 0.662 120.852 120.400 -0.349 0.000 2.044 589 K HA -0.141 4.178 4.320 -0.002 0.000 0.210 589 K C 1.981 178.507 176.600 -0.125 0.000 1.049 589 K CA 1.136 57.312 56.287 -0.185 0.000 0.927 589 K CB -0.130 32.284 32.500 -0.143 0.000 0.713 589 K HN 0.087 nan 8.250 nan 0.000 0.443 590 I N 0.305 120.792 120.570 -0.138 0.000 2.233 590 I HA -0.238 3.930 4.170 -0.002 0.000 0.243 590 I C 2.656 178.752 176.117 -0.034 0.000 1.093 590 I CA 1.077 62.362 61.300 -0.025 0.000 1.380 590 I CB -0.083 37.914 38.000 -0.005 0.000 1.067 590 I HN 0.354 nan 8.210 nan 0.000 0.413 591 M N -0.266 119.231 119.600 -0.172 0.000 2.200 591 M HA -0.173 4.305 4.480 -0.002 0.000 0.265 591 M C 1.807 178.082 176.300 -0.042 0.000 1.066 591 M CA 1.667 56.872 55.300 -0.158 0.000 1.127 591 M CB -0.101 32.292 32.600 -0.345 0.000 1.379 591 M HN 0.240 nan 8.290 nan 0.000 0.420 592 H N -0.583 118.362 119.070 -0.208 0.000 2.539 592 H HA 0.298 4.853 4.556 -0.002 0.000 0.269 592 H C 1.773 177.122 175.328 0.035 0.000 0.980 592 H CA 0.623 56.568 56.048 -0.172 0.000 1.152 592 H CB -0.340 29.261 29.762 -0.268 0.000 1.407 592 H HN 0.430 nan 8.280 nan 0.000 0.564 593 A N 0.390 123.308 122.820 0.164 0.000 2.178 593 A HA -0.089 4.230 4.320 -0.002 0.000 0.218 593 A C 1.804 179.590 177.584 0.337 0.000 1.157 593 A CA 0.985 53.139 52.037 0.194 0.000 0.689 593 A CB -0.382 18.689 19.000 0.119 0.000 0.787 593 A HN 0.259 nan 8.150 nan 0.000 0.465 594 I N -0.490 120.257 120.570 0.294 0.000 3.941 594 I HA 0.128 4.297 4.170 -0.002 0.000 0.335 594 I C 0.377 176.607 176.117 0.187 0.000 1.402 594 I CA -0.474 60.968 61.300 0.238 0.000 1.112 594 I CB -0.350 37.768 38.000 0.197 0.000 1.043 594 I HN 0.268 nan 8.210 nan 0.000 0.395 595 N N 1.593 120.447 118.700 0.256 0.000 2.411 595 N HA -0.069 4.670 4.740 -0.002 0.000 0.261 595 N C 0.673 176.231 175.510 0.079 0.000 1.248 595 N CA 0.582 53.778 53.050 0.244 0.000 0.885 595 N CB 0.185 38.787 38.487 0.192 0.000 1.062 595 N HN 0.165 nan 8.380 nan 0.000 0.471 596 R N 0.691 121.209 120.500 0.029 0.000 3.989 596 R HA -0.256 4.082 4.340 -0.002 0.000 0.335 596 R C -0.302 175.937 176.300 -0.101 0.000 1.223 596 R CA 1.269 57.349 56.100 -0.033 0.000 0.962 596 R CB -1.207 29.087 30.300 -0.009 0.000 1.393 596 R HN 0.669 nan 8.270 nan 0.000 0.554 597 R N 0.583 121.006 120.500 -0.129 0.000 2.772 597 R HA 0.272 4.611 4.340 -0.002 0.000 0.358 597 R C -0.312 175.974 176.300 -0.023 0.000 1.143 597 R CA -0.383 55.508 56.100 -0.349 0.000 1.153 597 R CB 0.631 30.686 30.300 -0.409 0.000 1.329 597 R HN 0.029 nan 8.270 nan 0.000 0.615 598 L N 0.003 121.299 121.223 0.122 0.000 2.483 598 L HA 0.131 4.470 4.340 -0.002 0.000 0.276 598 L C 1.383 178.519 176.870 0.442 0.000 1.213 598 L CA 0.928 55.887 54.840 0.197 0.000 0.843 598 L CB 0.452 42.461 42.059 -0.084 0.000 1.107 598 L HN 0.664 nan 8.230 nan 0.000 0.487 599 G N 0.823 109.878 108.800 0.425 0.000 2.141 599 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.242 599 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.242 599 G C 0.376 175.352 174.900 0.128 0.000 0.982 599 G CA 0.450 45.731 45.100 0.301 0.000 0.662 599 G HN 0.812 nan 8.290 nan 0.000 0.527 600 T N -2.876 111.710 114.554 0.054 0.000 2.312 600 T HA 0.526 4.874 4.350 -0.002 0.000 0.175 600 T C 1.594 176.254 174.700 -0.067 0.000 0.727 600 T CA 0.797 62.812 62.100 -0.141 0.000 1.333 600 T CB -0.171 68.405 68.868 -0.488 0.000 2.928 600 T HN 0.209 nan 8.240 nan 0.000 0.403 601 F N 3.409 123.398 119.950 0.066 0.000 2.141 601 F HA -0.077 4.449 4.527 -0.002 0.000 0.300 601 F C 2.796 178.635 175.800 0.065 0.000 1.079 601 F CA 1.479 59.509 58.000 0.051 0.000 1.264 601 F CB -0.915 38.111 39.000 0.043 0.000 1.011 601 F HN 0.599 nan 8.300 nan 0.000 0.487 602 E N 0.908 121.253 120.200 0.240 0.000 2.110 602 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 602 E C 2.149 178.855 176.600 0.177 0.000 0.988 602 E CA 1.816 58.341 56.400 0.209 0.000 0.804 602 E CB -1.029 28.803 29.700 0.221 0.000 0.745 602 E HN 0.315 nan 8.360 nan 0.000 0.458 603 V N 1.815 121.808 119.914 0.132 0.000 2.239 603 V HA -0.226 3.892 4.120 -0.002 0.000 0.242 603 V C 2.480 178.616 176.094 0.069 0.000 1.038 603 V CA 2.139 64.477 62.300 0.063 0.000 1.002 603 V CB -0.773 31.043 31.823 -0.012 0.000 0.641 603 V HN 0.209 nan 8.190 nan 0.000 0.449 604 E N 0.150 120.399 120.200 0.081 0.000 2.108 604 E HA -0.316 4.033 4.350 -0.002 0.000 0.203 604 E C 1.969 178.604 176.600 0.059 0.000 1.022 604 E CA 1.872 58.318 56.400 0.077 0.000 0.823 604 E CB -0.250 29.525 29.700 0.125 0.000 0.744 604 E HN 0.578 nan 8.360 nan 0.000 0.456 605 D N -0.039 120.415 120.400 0.091 0.000 2.182 605 D HA -0.154 4.485 4.640 -0.002 0.000 0.201 605 D C 2.010 178.324 176.300 0.024 0.000 0.986 605 D CA 0.845 54.884 54.000 0.066 0.000 0.847 605 D CB -0.127 40.757 40.800 0.140 0.000 0.942 605 D HN 0.175 nan 8.370 nan 0.000 0.467 606 Q N 0.024 119.885 119.800 0.102 0.000 2.079 606 Q HA -0.038 4.301 4.340 -0.002 0.000 0.200 606 Q C 2.609 178.629 176.000 0.033 0.000 0.974 606 Q CA 0.436 56.291 55.803 0.088 0.000 0.840 606 Q CB -0.108 28.724 28.738 0.157 0.000 0.898 606 Q HN 0.418 nan 8.270 nan 0.000 0.430 607 I N 0.898 121.517 120.570 0.083 0.000 2.127 607 I HA -0.291 3.878 4.170 -0.002 0.000 0.241 607 I C 2.442 178.506 176.117 -0.089 0.000 1.075 607 I CA 1.333 62.714 61.300 0.134 0.000 1.334 607 I CB -0.220 37.850 38.000 0.118 0.000 1.040 607 I HN 0.157 nan 8.210 nan 0.000 0.405 608 E N 1.270 121.378 120.200 -0.154 0.000 2.118 608 E HA -0.232 4.116 4.350 -0.002 0.000 0.195 608 E C 2.059 178.369 176.600 -0.483 0.000 0.992 608 E CA 1.722 57.969 56.400 -0.255 0.000 0.804 608 E CB -0.213 29.367 29.700 -0.200 0.000 0.741 608 E HN 0.450 nan 8.360 nan 0.000 0.458 609 A N 0.512 122.897 122.820 -0.726 0.000 1.933 609 A HA -0.041 4.278 4.320 -0.002 0.000 0.218 609 A C 2.415 179.221 177.584 -1.298 0.000 1.175 609 A CA 2.065 53.346 52.037 -1.260 0.000 0.628 609 A CB -0.905 17.095 19.000 -1.667 0.000 0.814 609 A HN 0.377 nan 8.150 nan 0.000 0.444 610 A N -0.526 121.895 122.820 -0.667 0.000 1.929 610 A HA -0.091 4.228 4.320 -0.002 0.000 0.216 610 A C 2.238 179.582 177.584 -0.400 0.000 1.176 610 A CA 1.253 53.040 52.037 -0.417 0.000 0.628 610 A CB -0.423 18.419 19.000 -0.262 0.000 0.816 610 A HN 0.514 nan 8.150 nan 0.000 0.444 611 R N -0.612 119.657 120.500 -0.385 0.000 2.083 611 R HA -0.142 4.197 4.340 -0.002 0.000 0.237 611 R C 2.412 178.537 176.300 -0.292 0.000 1.137 611 R CA 1.561 57.487 56.100 -0.291 0.000 0.951 611 R CB -0.344 29.815 30.300 -0.234 0.000 0.851 611 R HN 0.578 nan 8.270 nan 0.000 0.434 612 Q N -0.254 119.303 119.800 -0.406 0.000 2.135 612 Q HA -0.162 4.176 4.340 -0.002 0.000 0.204 612 Q C 2.015 177.878 176.000 -0.229 0.000 0.981 612 Q CA 1.363 56.961 55.803 -0.341 0.000 0.856 612 Q CB -0.186 28.291 28.738 -0.435 0.000 0.902 612 Q HN 0.291 nan 8.270 nan 0.000 0.425 613 F N 0.908 120.692 119.950 -0.277 0.000 2.216 613 F HA -0.113 4.412 4.527 -0.002 0.000 0.300 613 F C 2.542 178.162 175.800 -0.300 0.000 1.085 613 F CA 0.755 58.577 58.000 -0.297 0.000 1.326 613 F CB -0.908 37.950 39.000 -0.237 0.000 1.027 613 F HN -0.037 nan 8.300 nan 0.000 0.497 614 S N -0.008 115.641 115.700 -0.084 0.000 2.355 614 S HA -0.167 4.301 4.470 -0.002 0.000 0.222 614 S C 1.922 176.436 174.600 -0.144 0.000 1.031 614 S CA 0.923 59.048 58.200 -0.125 0.000 0.993 614 S CB -0.271 62.851 63.200 -0.130 0.000 0.859 614 S HN 0.315 nan 8.310 nan 0.000 0.453 615 K N 1.132 121.452 120.400 -0.133 0.000 1.990 615 K HA -0.133 4.186 4.320 -0.002 0.000 0.225 615 K C 0.528 177.040 176.600 -0.146 0.000 1.053 615 K CA 1.114 57.331 56.287 -0.116 0.000 0.982 615 K CB -0.611 31.830 32.500 -0.098 0.000 0.734 615 K HN 0.356 nan 8.250 nan 0.000 0.448 616 M N 1.396 120.882 119.600 -0.190 0.000 2.408 616 M HA -0.128 4.351 4.480 -0.002 0.000 0.444 616 M C 1.044 177.097 176.300 -0.412 0.000 1.600 616 M CA 0.383 55.490 55.300 -0.322 0.000 0.884 616 M CB -0.161 32.114 32.600 -0.542 0.000 2.081 616 M HN 0.368 nan 8.290 nan 0.000 0.510 617 G N 3.361 112.037 108.800 -0.206 0.000 3.028 617 G HA2 0.023 3.982 3.960 -0.002 0.000 0.205 617 G HA3 0.023 3.982 3.960 -0.002 0.000 0.205 617 G C 0.516 175.409 174.900 -0.011 0.000 1.182 617 G CA -0.099 44.942 45.100 -0.098 0.000 0.860 617 G HN 0.879 nan 8.290 nan 0.000 0.507 618 F N -1.468 118.544 119.950 0.105 0.000 2.639 618 F HA 0.615 5.140 4.527 -0.002 0.000 0.302 618 F C -0.218 175.707 175.800 0.207 0.000 1.097 618 F CA -1.464 56.641 58.000 0.175 0.000 1.294 618 F CB 0.003 39.182 39.000 0.298 0.000 1.027 618 F HN -0.153 nan 8.300 nan 0.000 0.550 619 V N 1.325 121.259 119.914 0.033 0.000 2.495 619 V HA 0.237 4.356 4.120 -0.002 0.000 0.298 619 V C -0.866 175.225 176.094 -0.005 0.000 1.031 619 V CA -0.797 61.534 62.300 0.052 0.000 0.871 619 V CB 1.769 33.555 31.823 -0.062 0.000 0.988 619 V HN 0.078 nan 8.190 nan 0.000 0.432 620 D N 3.541 123.934 120.400 -0.012 0.000 2.352 620 D HA 0.066 4.705 4.640 -0.002 0.000 0.245 620 D C 1.320 177.582 176.300 -0.064 0.000 1.224 620 D CA -0.089 53.879 54.000 -0.055 0.000 0.879 620 D CB 0.502 41.249 40.800 -0.089 0.000 1.057 620 D HN 0.708 nan 8.370 nan 0.000 0.491 621 N N 2.741 121.404 118.700 -0.062 0.000 2.571 621 N HA -0.114 4.625 4.740 -0.002 0.000 0.189 621 N C 0.506 175.985 175.510 -0.052 0.000 1.154 621 N CA 0.147 53.156 53.050 -0.070 0.000 0.907 621 N CB 0.218 38.654 38.487 -0.086 0.000 0.977 621 N HN 0.286 nan 8.380 nan 0.000 0.449 622 K N 0.268 120.645 120.400 -0.037 0.000 2.393 622 K HA 0.162 4.481 4.320 -0.002 0.000 0.193 622 K C 0.304 176.920 176.600 0.027 0.000 1.026 622 K CA 0.248 56.530 56.287 -0.008 0.000 1.064 622 K CB 0.459 32.954 32.500 -0.008 0.000 0.833 622 K HN 0.120 nan 8.250 nan 0.000 0.521 623 R N 1.341 121.838 120.500 -0.006 0.000 2.629 623 R HA 0.363 4.702 4.340 -0.002 0.000 0.277 623 R C -1.048 175.282 176.300 0.050 0.000 1.637 623 R CA -0.120 55.995 56.100 0.026 0.000 1.663 623 R CB 0.625 30.755 30.300 -0.284 0.000 1.228 623 R HN 0.007 nan 8.270 nan 0.000 0.632 624 I N 1.002 121.703 120.570 0.218 0.000 2.465 624 I HA 0.628 4.796 4.170 -0.002 0.000 0.291 624 I C -0.085 176.320 176.117 0.480 0.000 1.014 624 I CA -0.833 60.624 61.300 0.260 0.000 1.093 624 I CB 2.038 40.048 38.000 0.018 0.000 1.267 624 I HN 0.348 nan 8.210 nan 0.000 0.431 625 A N 6.660 129.843 122.820 0.605 0.000 2.437 625 A HA 0.943 5.261 4.320 -0.002 0.000 0.292 625 A C -1.260 176.650 177.584 0.543 0.000 1.173 625 A CA -0.654 51.704 52.037 0.535 0.000 0.785 625 A CB 2.248 21.432 19.000 0.306 0.000 1.351 625 A HN 0.741 nan 8.150 nan 0.000 0.431 626 I N -0.042 120.765 120.570 0.395 0.000 2.752 626 I HA 0.733 4.902 4.170 -0.002 0.000 0.295 626 I C -1.951 174.429 176.117 0.439 0.000 1.219 626 I CA -0.597 60.894 61.300 0.318 0.000 1.030 626 I CB 1.774 39.724 38.000 -0.082 0.000 1.259 626 I HN 0.969 nan 8.210 nan 0.000 0.423 627 W N 6.517 127.947 121.300 0.215 0.000 3.074 627 W HA 0.865 5.524 4.660 -0.002 0.000 0.332 627 W C -1.425 175.244 176.519 0.250 0.000 1.253 627 W CA -0.962 56.520 57.345 0.228 0.000 1.180 627 W CB 0.957 30.599 29.460 0.304 0.000 1.445 627 W HN 0.854 nan 8.180 nan 0.000 0.573 628 G N 0.293 109.062 108.800 -0.052 0.000 2.576 628 G HA2 0.506 4.465 3.960 -0.002 0.000 0.290 628 G HA3 0.506 4.465 3.960 -0.002 0.000 0.290 628 G C -2.815 172.086 174.900 0.003 0.000 1.442 628 G CA -0.726 44.201 45.100 -0.288 0.000 0.792 628 G HN 0.597 nan 8.290 nan 0.000 0.491 629 W N 0.787 122.001 121.300 -0.143 0.000 2.785 629 W HA 0.611 5.270 4.660 -0.002 0.000 0.333 629 W C 0.698 177.259 176.519 0.070 0.000 1.062 629 W CA 0.340 57.670 57.345 -0.025 0.000 1.233 629 W CB 1.870 31.314 29.460 -0.027 0.000 1.413 629 W HN 1.104 nan 8.180 nan 0.000 0.489 630 S N 2.157 118.059 115.700 0.337 0.000 4.069 630 S HA -0.414 4.055 4.470 -0.002 0.000 0.626 630 S C 1.080 175.779 174.600 0.165 0.000 2.000 630 S CA 1.588 59.997 58.200 0.348 0.000 4.174 630 S CB -1.745 61.787 63.200 0.553 0.000 0.210 630 S HN 0.709 nan 8.310 nan 0.000 0.602 631 Y N 2.297 122.604 120.300 0.012 0.000 2.193 631 Y HA -0.093 4.456 4.550 -0.002 0.000 0.285 631 Y C 2.353 178.199 175.900 -0.089 0.000 1.166 631 Y CA 2.735 60.748 58.100 -0.145 0.000 1.181 631 Y CB -1.030 37.120 38.460 -0.515 0.000 0.976 631 Y HN 0.545 nan 8.280 nan 0.000 0.520 632 G N -1.065 107.788 108.800 0.087 0.000 2.418 632 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.217 632 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.217 632 G C 1.957 176.897 174.900 0.067 0.000 1.158 632 G CA 0.804 45.977 45.100 0.122 0.000 0.771 632 G HN 0.587 nan 8.290 nan 0.000 0.545 633 G N -0.048 108.800 108.800 0.079 0.000 2.446 633 G HA2 -0.301 3.657 3.960 -0.002 0.000 0.217 633 G HA3 -0.301 3.657 3.960 -0.002 0.000 0.217 633 G C 1.654 176.575 174.900 0.035 0.000 1.168 633 G CA 1.212 46.340 45.100 0.046 0.000 0.771 633 G HN 0.440 nan 8.290 nan 0.000 0.551 634 Y N 1.206 121.402 120.300 -0.174 0.000 2.145 634 Y HA -0.108 4.441 4.550 -0.002 0.000 0.286 634 Y C 2.789 178.580 175.900 -0.183 0.000 1.145 634 Y CA 1.589 59.530 58.100 -0.265 0.000 1.148 634 Y CB -0.426 37.717 38.460 -0.528 0.000 0.981 634 Y HN 0.041 nan 8.280 nan 0.000 0.507 635 V N -0.604 119.180 119.914 -0.218 0.000 2.307 635 V HA -0.294 3.824 4.120 -0.002 0.000 0.245 635 V C 2.355 178.328 176.094 -0.202 0.000 1.045 635 V CA 2.379 64.538 62.300 -0.235 0.000 1.024 635 V CB -1.129 30.705 31.823 0.019 0.000 0.651 635 V HN 0.449 nan 8.190 nan 0.000 0.449 636 T N 0.254 114.745 114.554 -0.104 0.000 2.699 636 T HA -0.202 4.146 4.350 -0.002 0.000 0.268 636 T C 2.069 176.685 174.700 -0.139 0.000 1.036 636 T CA 2.132 64.175 62.100 -0.096 0.000 1.147 636 T CB -0.247 68.642 68.868 0.034 0.000 0.862 636 T HN 0.588 nan 8.240 nan 0.000 0.446 637 S N 0.924 116.574 115.700 -0.083 0.000 2.406 637 S HA 0.050 4.519 4.470 -0.002 0.000 0.228 637 S C 2.068 176.549 174.600 -0.198 0.000 1.020 637 S CA 0.739 58.897 58.200 -0.070 0.000 0.965 637 S CB -0.209 63.041 63.200 0.083 0.000 0.798 637 S HN 0.330 nan 8.310 nan 0.000 0.488 638 M N 1.051 120.464 119.600 -0.311 0.000 2.175 638 M HA 0.013 4.491 4.480 -0.002 0.000 0.264 638 M C 2.197 178.332 176.300 -0.275 0.000 1.063 638 M CA 0.984 56.088 55.300 -0.327 0.000 1.119 638 M CB -1.255 31.051 32.600 -0.489 0.000 1.377 638 M HN 0.187 nan 8.290 nan 0.000 0.415 639 V N 0.752 120.494 119.914 -0.286 0.000 2.270 639 V HA -0.242 3.877 4.120 -0.002 0.000 0.245 639 V C 2.510 178.394 176.094 -0.351 0.000 1.043 639 V CA 1.403 63.529 62.300 -0.289 0.000 1.014 639 V CB -0.657 30.928 31.823 -0.396 0.000 0.645 639 V HN 0.393 nan 8.190 nan 0.000 0.447 640 L N 0.491 121.441 121.223 -0.456 0.000 2.189 640 L HA -0.134 4.205 4.340 -0.002 0.000 0.214 640 L C 2.128 178.523 176.870 -0.792 0.000 1.097 640 L CA 1.582 56.074 54.840 -0.581 0.000 0.764 640 L CB -0.697 40.943 42.059 -0.699 0.000 0.900 640 L HN 0.504 nan 8.230 nan 0.000 0.436 641 G N -1.685 106.657 108.800 -0.764 0.000 3.284 641 G HA2 -0.005 3.954 3.960 -0.002 0.000 0.236 641 G HA3 -0.005 3.954 3.960 -0.002 0.000 0.236 641 G C 1.396 176.152 174.900 -0.240 0.000 1.158 641 G CA 0.517 45.267 45.100 -0.583 0.000 0.774 641 G HN 0.425 nan 8.290 nan 0.000 0.545 642 S N -0.757 114.824 115.700 -0.198 0.000 2.496 642 S HA 0.301 4.770 4.470 -0.002 0.000 0.224 642 S C 1.911 176.472 174.600 -0.065 0.000 0.996 642 S CA 0.945 59.086 58.200 -0.099 0.000 0.927 642 S CB -0.047 63.112 63.200 -0.068 0.000 0.774 642 S HN 1.354 nan 8.310 nan 0.000 0.524 643 G N 1.394 110.146 108.800 -0.081 0.000 2.136 643 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.242 643 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.242 643 G C 0.933 175.822 174.900 -0.018 0.000 0.989 643 G CA 0.846 45.919 45.100 -0.046 0.000 0.682 643 G HN 1.233 nan 8.290 nan 0.000 0.522 644 S N -0.385 115.314 115.700 -0.002 0.000 2.447 644 S HA 0.282 4.750 4.470 -0.002 0.000 0.233 644 S C 2.684 177.294 174.600 0.016 0.000 1.006 644 S CA 1.783 59.996 58.200 0.023 0.000 0.957 644 S CB -0.306 62.942 63.200 0.080 0.000 0.773 644 S HN 2.435 nan 8.310 nan 0.000 0.507 645 G N 0.187 109.002 108.800 0.024 0.000 2.302 645 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.263 645 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.263 645 G C 0.952 175.845 174.900 -0.012 0.000 0.995 645 G CA 0.594 45.699 45.100 0.009 0.000 0.622 645 G HN 0.760 nan 8.290 nan 0.000 0.538 646 V N -0.075 119.816 119.914 -0.038 0.000 2.407 646 V HA 0.153 4.272 4.120 -0.002 0.000 0.248 646 V C 1.393 177.300 176.094 -0.311 0.000 1.055 646 V CA 1.899 64.055 62.300 -0.240 0.000 1.049 646 V CB -0.472 31.082 31.823 -0.449 0.000 0.662 646 V HN 0.326 nan 8.190 nan 0.000 0.455 647 F N -0.631 119.324 119.950 0.008 0.000 2.458 647 F HA 0.438 4.964 4.527 -0.002 0.000 0.330 647 F C 1.028 176.859 175.800 0.053 0.000 1.082 647 F CA -0.725 57.303 58.000 0.048 0.000 0.995 647 F CB 1.471 40.503 39.000 0.053 0.000 1.170 647 F HN -0.294 nan 8.300 nan 0.000 0.478 648 K N 0.785 121.351 120.400 0.276 0.000 2.168 648 K HA 0.200 4.519 4.320 -0.002 0.000 0.201 648 K C -0.225 176.491 176.600 0.194 0.000 1.049 648 K CA 0.757 57.158 56.287 0.191 0.000 0.974 648 K CB 0.378 32.985 32.500 0.179 0.000 0.792 648 K HN 0.789 nan 8.250 nan 0.000 0.463 649 c N -2.203 116.540 118.600 0.239 0.000 3.311 649 c HA 0.892 5.461 4.570 -0.002 0.000 0.325 649 c C -0.267 174.019 174.090 0.326 0.000 1.352 649 c CA -0.540 55.946 56.329 0.261 0.000 1.308 649 c CB 1.107 43.706 42.510 0.150 0.000 1.619 649 c HN 0.380 nan 8.230 nan 0.000 0.469 650 G N 0.252 109.312 108.800 0.435 0.000 2.660 650 G HA2 0.750 4.709 3.960 -0.002 0.000 0.290 650 G HA3 0.750 4.709 3.960 -0.002 0.000 0.290 650 G C -1.963 173.165 174.900 0.379 0.000 1.432 650 G CA -0.758 44.579 45.100 0.396 0.000 0.807 650 G HN 1.040 nan 8.290 nan 0.000 0.485 651 I N 0.484 121.255 120.570 0.333 0.000 2.498 651 I HA 0.619 4.788 4.170 -0.002 0.000 0.290 651 I C 0.022 176.266 176.117 0.212 0.000 1.032 651 I CA -1.027 60.359 61.300 0.143 0.000 1.073 651 I CB 2.294 40.357 38.000 0.106 0.000 1.251 651 I HN 0.643 nan 8.210 nan 0.000 0.426 652 A N 6.471 129.310 122.820 0.032 0.000 2.291 652 A HA 0.768 5.087 4.320 -0.002 0.000 0.311 652 A C -0.817 176.691 177.584 -0.128 0.000 1.224 652 A CA -0.498 51.559 52.037 0.033 0.000 0.821 652 A CB 1.087 20.164 19.000 0.127 0.000 1.172 652 A HN 0.435 nan 8.150 nan 0.000 0.494 653 V N 1.963 121.760 119.914 -0.195 0.000 2.384 653 V HA 0.604 4.723 4.120 -0.002 0.000 0.287 653 V C 0.909 176.660 176.094 -0.573 0.000 1.020 653 V CA 0.332 62.318 62.300 -0.523 0.000 0.850 653 V CB 0.760 31.987 31.823 -0.993 0.000 0.987 653 V HN 2.165 nan 8.190 nan 0.000 0.436 654 A N 5.259 127.706 122.820 -0.623 0.000 2.687 654 A HA -0.091 4.228 4.320 -0.002 0.000 0.299 654 A C -1.856 175.578 177.584 -0.250 0.000 1.497 654 A CA 0.390 51.978 52.037 -0.750 0.000 0.751 654 A CB -1.714 17.010 19.000 -0.461 0.000 1.048 654 A HN 0.616 nan 8.150 nan 0.000 0.464 655 P HA 0.436 nan 4.420 nan 0.000 0.278 655 P C 0.175 177.436 177.300 -0.065 0.000 1.238 655 P CA -0.120 62.953 63.100 -0.046 0.000 0.794 655 P CB 1.375 33.077 31.700 0.002 0.000 0.955 656 V N 2.693 122.465 119.914 -0.237 0.000 2.614 656 V HA 0.088 4.207 4.120 -0.002 0.000 0.291 656 V C 1.617 177.506 176.094 -0.342 0.000 1.049 656 V CA 0.914 62.931 62.300 -0.472 0.000 1.038 656 V CB 0.802 31.972 31.823 -1.089 0.000 0.980 656 V HN 0.820 nan 8.190 nan 0.000 0.481 657 S N 3.875 119.420 115.700 -0.258 0.000 2.589 657 S HA 0.349 4.818 4.470 -0.002 0.000 0.235 657 S C 0.502 174.958 174.600 -0.240 0.000 1.051 657 S CA -0.412 57.714 58.200 -0.124 0.000 0.978 657 S CB 0.386 63.572 63.200 -0.024 0.000 0.929 657 S HN 0.645 nan 8.310 nan 0.000 0.523 658 R N -0.639 119.612 120.500 -0.414 0.000 2.515 658 R HA 0.322 4.661 4.340 -0.002 0.000 0.278 658 R C -1.114 174.917 176.300 -0.448 0.000 1.107 658 R CA -0.608 55.192 56.100 -0.499 0.000 0.945 658 R CB 0.719 30.515 30.300 -0.841 0.000 1.219 658 R HN 0.308 nan 8.270 nan 0.000 0.434 659 W N 1.878 123.109 121.300 -0.116 0.000 2.465 659 W HA -0.043 4.616 4.660 -0.002 0.000 0.268 659 W C 1.208 177.851 176.519 0.207 0.000 1.242 659 W CA 0.463 57.825 57.345 0.028 0.000 1.248 659 W CB 0.437 29.853 29.460 -0.074 0.000 1.118 659 W HN 0.641 nan 8.180 nan 0.000 0.587 660 E N -0.981 119.379 120.200 0.267 0.000 2.418 660 E HA -0.165 4.184 4.350 -0.002 0.000 0.197 660 E C 1.265 178.014 176.600 0.248 0.000 1.026 660 E CA 0.655 57.165 56.400 0.184 0.000 0.862 660 E CB -0.150 29.539 29.700 -0.018 0.000 0.799 660 E HN 0.365 nan 8.360 nan 0.000 0.518 661 Y N -1.135 119.263 120.300 0.163 0.000 2.397 661 Y HA 0.021 4.570 4.550 -0.002 0.000 0.292 661 Y C 1.037 177.050 175.900 0.189 0.000 1.115 661 Y CA -0.263 57.908 58.100 0.117 0.000 1.208 661 Y CB -0.480 37.992 38.460 0.021 0.000 1.046 661 Y HN 0.027 nan 8.280 nan 0.000 0.552 662 Y N 2.159 122.615 120.300 0.259 0.000 2.240 662 Y HA 0.217 4.766 4.550 -0.002 0.000 0.341 662 Y C 0.559 176.664 175.900 0.342 0.000 1.326 662 Y CA -1.573 56.674 58.100 0.245 0.000 1.569 662 Y CB 0.069 38.697 38.460 0.280 0.000 1.426 662 Y HN 0.239 nan 8.280 nan 0.000 0.587 663 D N -0.821 119.268 120.400 -0.518 0.000 2.377 663 D HA 0.128 4.766 4.640 -0.002 0.000 0.245 663 D C 0.907 177.129 176.300 -0.130 0.000 1.196 663 D CA 0.310 54.047 54.000 -0.440 0.000 0.962 663 D CB 0.829 41.101 40.800 -0.879 0.000 1.127 663 D HN 0.446 nan 8.370 nan 0.000 0.471 664 S N 0.338 115.966 115.700 -0.120 0.000 2.355 664 S HA -0.166 4.303 4.470 -0.002 0.000 0.222 664 S C 1.909 176.501 174.600 -0.013 0.000 1.031 664 S CA 1.045 59.243 58.200 -0.004 0.000 0.993 664 S CB -0.888 62.322 63.200 0.015 0.000 0.859 664 S HN 0.406 nan 8.310 nan 0.000 0.453 665 V N 0.798 120.640 119.914 -0.120 0.000 2.307 665 V HA -0.121 3.998 4.120 -0.002 0.000 0.245 665 V C 2.321 178.318 176.094 -0.163 0.000 1.045 665 V CA 2.057 64.213 62.300 -0.241 0.000 1.024 665 V CB -1.062 30.466 31.823 -0.491 0.000 0.651 665 V HN 0.603 nan 8.190 nan 0.000 0.449 666 Y N 1.529 121.737 120.300 -0.153 0.000 2.133 666 Y HA -0.217 4.332 4.550 -0.002 0.000 0.287 666 Y C 2.680 178.548 175.900 -0.054 0.000 1.134 666 Y CA 2.292 60.378 58.100 -0.023 0.000 1.133 666 Y CB -0.603 38.027 38.460 0.284 0.000 0.987 666 Y HN 0.234 nan 8.280 nan 0.000 0.502 667 T N 0.205 114.951 114.554 0.320 0.000 2.777 667 T HA -0.168 4.180 4.350 -0.002 0.000 0.266 667 T C 1.510 176.171 174.700 -0.064 0.000 1.040 667 T CA 1.814 64.042 62.100 0.213 0.000 1.141 667 T CB -0.269 68.841 68.868 0.404 0.000 0.868 667 T HN 0.422 nan 8.240 nan 0.000 0.444 668 E N 0.485 120.663 120.200 -0.037 0.000 2.347 668 E HA 0.014 4.362 4.350 -0.002 0.000 0.196 668 E C 2.436 178.892 176.600 -0.240 0.000 1.008 668 E CA 0.192 56.562 56.400 -0.051 0.000 0.852 668 E CB 0.001 29.720 29.700 0.031 0.000 0.783 668 E HN 0.258 nan 8.360 nan 0.000 0.505 669 R N -0.097 120.092 120.500 -0.518 0.000 2.073 669 R HA -0.145 4.194 4.340 -0.002 0.000 0.234 669 R C 1.345 177.037 176.300 -1.014 0.000 1.134 669 R CA 1.472 57.036 56.100 -0.894 0.000 0.952 669 R CB -0.011 29.345 30.300 -1.572 0.000 0.850 669 R HN 0.309 nan 8.270 nan 0.000 0.433 670 Y N -2.109 117.818 120.300 -0.622 0.000 2.497 670 Y HA 0.184 4.733 4.550 -0.002 0.000 0.265 670 Y C 1.768 177.443 175.900 -0.374 0.000 1.111 670 Y CA 0.176 57.901 58.100 -0.626 0.000 1.288 670 Y CB 0.359 38.333 38.460 -0.810 0.000 1.082 670 Y HN -0.099 nan 8.280 nan 0.000 0.536 671 M N -0.487 118.967 119.600 -0.243 0.000 2.306 671 M HA 0.369 4.848 4.480 -0.002 0.000 0.292 671 M C 1.050 177.338 176.300 -0.020 0.000 1.018 671 M CA 0.674 55.836 55.300 -0.229 0.000 1.007 671 M CB -0.044 32.218 32.600 -0.563 0.000 1.510 671 M HN 0.325 nan 8.290 nan 0.000 0.537 672 G N 2.142 110.951 108.800 0.014 0.000 2.601 672 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.252 672 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.252 672 G C -0.477 174.552 174.900 0.215 0.000 1.294 672 G CA -0.639 44.515 45.100 0.091 0.000 0.912 672 G HN 0.363 nan 8.290 nan 0.000 0.574 673 L N 1.851 123.174 121.223 0.167 0.000 2.343 673 L HA 0.479 4.818 4.340 -0.002 0.000 0.275 673 L C -1.511 175.377 176.870 0.029 0.000 1.056 673 L CA -1.821 53.079 54.840 0.099 0.000 0.804 673 L CB 2.043 44.117 42.059 0.024 0.000 1.203 673 L HN 0.460 nan 8.230 nan 0.000 0.440 674 P HA 0.099 nan 4.420 nan 0.000 0.214 674 P C -0.652 176.498 177.300 -0.249 0.000 1.826 674 P CA -0.158 62.548 63.100 -0.657 0.000 0.977 674 P CB -0.226 30.738 31.700 -1.226 0.000 1.930 675 T N -2.646 111.851 114.554 -0.094 0.000 2.924 675 T HA 0.496 4.845 4.350 -0.002 0.000 0.291 675 T C -2.241 172.456 174.700 -0.006 0.000 1.045 675 T CA -2.483 59.589 62.100 -0.047 0.000 1.015 675 T CB 1.733 70.583 68.868 -0.030 0.000 1.103 675 T HN -0.289 nan 8.240 nan 0.000 0.496 676 P HA -0.123 nan 4.420 nan 0.000 0.218 676 P C 1.374 178.687 177.300 0.022 0.000 1.148 676 P CA 1.122 64.231 63.100 0.015 0.000 0.822 676 P CB 0.067 31.772 31.700 0.008 0.000 0.784 677 E N -1.228 118.981 120.200 0.015 0.000 2.285 677 E HA -0.134 4.215 4.350 -0.002 0.000 0.194 677 E C 1.158 177.773 176.600 0.026 0.000 0.997 677 E CA 0.827 57.237 56.400 0.016 0.000 0.845 677 E CB -0.242 29.462 29.700 0.008 0.000 0.782 677 E HN 0.143 nan 8.360 nan 0.000 0.491 678 D N 0.891 121.313 120.400 0.036 0.000 2.838 678 D HA 0.038 4.677 4.640 -0.002 0.000 0.245 678 D C 0.546 176.899 176.300 0.087 0.000 1.424 678 D CA 0.112 54.145 54.000 0.054 0.000 1.214 678 D CB -0.121 40.711 40.800 0.055 0.000 0.937 678 D HN 0.097 nan 8.370 nan 0.000 0.232 679 N N -0.022 118.763 118.700 0.141 0.000 2.291 679 N HA 0.054 4.793 4.740 -0.002 0.000 0.244 679 N C 1.289 176.987 175.510 0.313 0.000 1.216 679 N CA -0.129 53.050 53.050 0.214 0.000 0.879 679 N CB 0.760 39.395 38.487 0.247 0.000 1.167 679 N HN 0.021 nan 8.380 nan 0.000 0.515 680 L N 1.081 122.415 121.223 0.185 0.000 2.043 680 L HA -0.173 4.165 4.340 -0.002 0.000 0.212 680 L C 1.419 178.397 176.870 0.180 0.000 1.075 680 L CA 2.010 56.938 54.840 0.146 0.000 0.752 680 L CB -0.420 41.654 42.059 0.026 0.000 0.891 680 L HN 0.141 nan 8.230 nan 0.000 0.432 681 D N -1.196 119.289 120.400 0.143 0.000 2.103 681 D HA -0.282 4.357 4.640 -0.002 0.000 0.190 681 D C 2.134 178.530 176.300 0.159 0.000 0.997 681 D CA 1.969 56.044 54.000 0.126 0.000 0.833 681 D CB -0.385 40.478 40.800 0.105 0.000 0.961 681 D HN 0.577 nan 8.370 nan 0.000 0.447 682 H N -0.759 118.370 119.070 0.098 0.000 2.421 682 H HA -0.119 4.436 4.556 -0.002 0.000 0.298 682 H C 1.845 177.233 175.328 0.100 0.000 1.087 682 H CA 1.392 57.478 56.048 0.063 0.000 1.330 682 H CB -0.492 29.273 29.762 0.005 0.000 1.388 682 H HN 0.204 nan 8.280 nan 0.000 0.526 683 Y N 0.198 120.479 120.300 -0.032 0.000 2.139 683 Y HA -0.254 4.295 4.550 -0.002 0.000 0.282 683 Y C 2.536 178.393 175.900 -0.072 0.000 1.179 683 Y CA 1.973 60.054 58.100 -0.032 0.000 1.161 683 Y CB -0.020 38.455 38.460 0.024 0.000 0.970 683 Y HN 0.115 nan 8.280 nan 0.000 0.511 684 R N -0.618 119.945 120.500 0.105 0.000 2.246 684 R HA -0.026 4.313 4.340 -0.002 0.000 0.199 684 R C 1.512 177.809 176.300 -0.006 0.000 0.984 684 R CA 0.696 56.818 56.100 0.036 0.000 1.015 684 R CB -0.127 30.196 30.300 0.039 0.000 0.930 684 R HN 0.119 nan 8.270 nan 0.000 0.475 685 N N -0.458 118.223 118.700 -0.031 0.000 2.336 685 N HA -0.037 4.702 4.740 -0.002 0.000 0.189 685 N C -0.053 175.406 175.510 -0.084 0.000 1.113 685 N CA 0.391 53.428 53.050 -0.021 0.000 0.858 685 N CB 0.413 38.936 38.487 0.059 0.000 0.970 685 N HN 0.106 nan 8.380 nan 0.000 0.471 686 S N -1.548 114.047 115.700 -0.175 0.000 2.588 686 S HA 0.139 4.607 4.470 -0.002 0.000 0.245 686 S C 0.380 175.010 174.600 0.050 0.000 1.021 686 S CA -0.627 57.512 58.200 -0.102 0.000 1.006 686 S CB -0.638 62.397 63.200 -0.275 0.000 0.830 686 S HN 0.202 nan 8.310 nan 0.000 0.468 687 T N -1.523 113.028 114.554 -0.005 0.000 2.922 687 T HA 0.531 4.880 4.350 -0.002 0.000 0.285 687 T C 1.234 175.925 174.700 -0.015 0.000 1.005 687 T CA -0.617 61.472 62.100 -0.018 0.000 1.061 687 T CB 1.403 70.231 68.868 -0.065 0.000 1.007 687 T HN -0.030 nan 8.240 nan 0.000 0.502 688 V N 1.948 121.851 119.914 -0.018 0.000 2.667 688 V HA -0.079 4.040 4.120 -0.002 0.000 0.252 688 V C 2.525 178.582 176.094 -0.061 0.000 1.065 688 V CA 1.293 63.571 62.300 -0.037 0.000 1.083 688 V CB -0.942 30.857 31.823 -0.040 0.000 0.692 688 V HN 0.811 nan 8.190 nan 0.000 0.468 689 M N 1.081 120.638 119.600 -0.073 0.000 2.159 689 M HA -0.137 4.342 4.480 -0.002 0.000 0.263 689 M C 2.315 178.580 176.300 -0.059 0.000 1.063 689 M CA 2.032 57.280 55.300 -0.087 0.000 1.110 689 M CB -0.820 31.742 32.600 -0.063 0.000 1.374 689 M HN 0.501 nan 8.290 nan 0.000 0.411 690 S N -0.645 115.035 115.700 -0.033 0.000 2.481 690 S HA -0.028 4.441 4.470 -0.002 0.000 0.231 690 S C 1.807 176.410 174.600 0.004 0.000 0.996 690 S CA 0.586 58.777 58.200 -0.015 0.000 0.942 690 S CB -0.431 62.763 63.200 -0.010 0.000 0.768 690 S HN 0.487 nan 8.310 nan 0.000 0.520 691 R N 0.734 121.248 120.500 0.024 0.000 2.317 691 R HA 0.403 4.742 4.340 -0.002 0.000 0.208 691 R C 2.284 178.676 176.300 0.152 0.000 0.914 691 R CA 0.434 56.579 56.100 0.075 0.000 1.060 691 R CB -0.367 29.980 30.300 0.080 0.000 1.015 691 R HN 0.470 nan 8.270 nan 0.000 0.498 692 A N 2.017 124.867 122.820 0.050 0.000 1.909 692 A HA -0.278 4.041 4.320 -0.002 0.000 0.221 692 A C 1.820 179.475 177.584 0.118 0.000 1.223 692 A CA 1.693 53.716 52.037 -0.023 0.000 0.658 692 A CB -0.303 18.628 19.000 -0.115 0.000 0.831 692 A HN 0.250 nan 8.150 nan 0.000 0.462 693 E N -0.096 120.155 120.200 0.085 0.000 2.171 693 E HA -0.198 4.151 4.350 -0.002 0.000 0.197 693 E C 1.629 178.295 176.600 0.111 0.000 0.997 693 E CA 1.240 57.691 56.400 0.085 0.000 0.810 693 E CB -0.440 29.291 29.700 0.052 0.000 0.738 693 E HN 0.647 nan 8.360 nan 0.000 0.467 694 N N 0.337 119.107 118.700 0.117 0.000 2.309 694 N HA -0.104 4.635 4.740 -0.002 0.000 0.182 694 N C 1.468 176.991 175.510 0.022 0.000 1.018 694 N CA 0.557 53.629 53.050 0.038 0.000 0.876 694 N CB -0.417 38.045 38.487 -0.041 0.000 0.972 694 N HN 0.148 nan 8.380 nan 0.000 0.434 695 F N 2.159 122.065 119.950 -0.073 0.000 2.583 695 F HA -0.088 4.438 4.527 -0.002 0.000 0.297 695 F C 2.065 177.872 175.800 0.012 0.000 1.131 695 F CA 0.667 58.622 58.000 -0.075 0.000 1.467 695 F CB -0.225 38.694 39.000 -0.136 0.000 1.097 695 F HN 0.182 nan 8.300 nan 0.000 0.586 696 K N 0.063 120.569 120.400 0.176 0.000 2.283 696 K HA -0.168 4.150 4.320 -0.002 0.000 0.202 696 K C 1.464 178.126 176.600 0.104 0.000 1.048 696 K CA 1.211 57.582 56.287 0.140 0.000 0.948 696 K CB -0.504 32.059 32.500 0.104 0.000 0.742 696 K HN 0.327 nan 8.250 nan 0.000 0.458 697 Q N 1.295 121.134 119.800 0.065 0.000 2.472 697 Q HA 0.015 4.354 4.340 -0.002 0.000 0.208 697 Q C 0.691 176.722 176.000 0.052 0.000 0.958 697 Q CA 0.555 56.382 55.803 0.041 0.000 0.932 697 Q CB 0.450 29.192 28.738 0.006 0.000 1.007 697 Q HN 0.388 nan 8.270 nan 0.000 0.508 698 V N -3.657 116.301 119.914 0.073 0.000 3.165 698 V HA 0.465 4.584 4.120 -0.002 0.000 0.309 698 V C -1.673 174.544 176.094 0.204 0.000 1.267 698 V CA -1.233 61.132 62.300 0.108 0.000 1.067 698 V CB 2.311 34.161 31.823 0.044 0.000 1.082 698 V HN -0.055 nan 8.190 nan 0.000 0.451 699 E N 1.126 121.480 120.200 0.255 0.000 2.145 699 E HA 0.510 4.858 4.350 -0.002 0.000 0.270 699 E C -1.994 174.940 176.600 0.557 0.000 0.906 699 E CA -0.397 56.224 56.400 0.368 0.000 0.761 699 E CB 2.054 31.918 29.700 0.275 0.000 1.116 699 E HN 0.671 nan 8.360 nan 0.000 0.408 700 Y N 3.202 123.733 120.300 0.386 0.000 2.409 700 Y HA 0.525 5.074 4.550 -0.002 0.000 0.343 700 Y C -1.724 174.255 175.900 0.133 0.000 0.973 700 Y CA -1.626 56.649 58.100 0.292 0.000 1.064 700 Y CB 1.202 39.884 38.460 0.369 0.000 1.207 700 Y HN 0.459 nan 8.280 nan 0.000 0.452 701 L N 7.597 128.577 121.223 -0.406 0.000 2.376 701 L HA 0.651 4.989 4.340 -0.002 0.000 0.275 701 L C -2.342 174.146 176.870 -0.636 0.000 0.987 701 L CA -0.726 53.729 54.840 -0.642 0.000 0.828 701 L CB 1.449 42.755 42.059 -1.256 0.000 1.249 701 L HN 0.643 nan 8.230 nan 0.000 0.409 702 L N 6.424 127.343 121.223 -0.506 0.000 2.333 702 L HA 0.737 5.075 4.340 -0.002 0.000 0.280 702 L C -1.253 175.511 176.870 -0.178 0.000 1.004 702 L CA -0.075 54.514 54.840 -0.418 0.000 0.820 702 L CB 1.417 43.204 42.059 -0.453 0.000 1.247 702 L HN 0.612 nan 8.230 nan 0.000 0.416 703 I N 4.142 124.625 120.570 -0.144 0.000 2.647 703 I HA 0.467 4.636 4.170 -0.002 0.000 0.295 703 I C -1.277 174.853 176.117 0.021 0.000 1.078 703 I CA -0.745 60.529 61.300 -0.042 0.000 1.048 703 I CB 2.213 40.157 38.000 -0.093 0.000 1.239 703 I HN 0.683 nan 8.210 nan 0.000 0.421 704 H N 2.032 121.172 119.070 0.116 0.000 3.086 704 H HA 0.458 5.013 4.556 -0.002 0.000 0.353 704 H C -0.339 175.233 175.328 0.407 0.000 1.134 704 H CA -0.582 55.580 56.048 0.190 0.000 1.248 704 H CB 2.014 31.832 29.762 0.093 0.000 1.878 704 H HN 0.766 nan 8.280 nan 0.000 0.527 705 G N 1.069 110.212 108.800 0.572 0.000 2.403 705 G HA2 0.182 4.141 3.960 -0.002 0.000 0.259 705 G HA3 0.182 4.141 3.960 -0.002 0.000 0.259 705 G C 1.172 176.322 174.900 0.416 0.000 1.244 705 G CA 0.172 45.554 45.100 0.469 0.000 0.849 705 G HN 0.754 nan 8.290 nan 0.000 0.532 706 T N -0.742 113.903 114.554 0.153 0.000 2.995 706 T HA 0.109 4.458 4.350 -0.002 0.000 0.269 706 T C 1.585 176.224 174.700 -0.102 0.000 1.091 706 T CA 1.263 63.234 62.100 -0.214 0.000 1.128 706 T CB 0.173 68.873 68.868 -0.281 0.000 0.891 706 T HN 0.742 nan 8.240 nan 0.000 0.492 707 A N 1.034 123.882 122.820 0.045 0.000 2.827 707 A HA 0.326 4.644 4.320 -0.002 0.000 0.300 707 A C 0.263 177.826 177.584 -0.034 0.000 1.237 707 A CA -0.552 51.480 52.037 -0.009 0.000 0.964 707 A CB -0.242 19.008 19.000 0.416 0.000 1.143 707 A HN 0.361 nan 8.150 nan 0.000 0.554 708 D N 1.754 122.158 120.400 0.006 0.000 2.348 708 D HA -0.023 4.616 4.640 -0.002 0.000 0.259 708 D C 0.290 176.560 176.300 -0.050 0.000 1.296 708 D CA 0.188 54.270 54.000 0.138 0.000 0.931 708 D CB 0.631 41.639 40.800 0.348 0.000 1.067 708 D HN 0.590 nan 8.370 nan 0.000 0.503 709 D N 2.066 122.488 120.400 0.037 0.000 2.349 709 D HA -0.106 4.532 4.640 -0.002 0.000 0.224 709 D C 0.925 177.163 176.300 -0.103 0.000 1.029 709 D CA 0.139 54.104 54.000 -0.058 0.000 0.879 709 D CB 0.279 41.016 40.800 -0.104 0.000 0.906 709 D HN 0.416 nan 8.370 nan 0.000 0.528 710 N N -0.131 118.597 118.700 0.047 0.000 2.426 710 N HA -0.013 4.726 4.740 -0.002 0.000 0.205 710 N C -0.191 175.226 175.510 -0.156 0.000 1.040 710 N CA 0.039 53.150 53.050 0.102 0.000 0.990 710 N CB 0.771 39.348 38.487 0.149 0.000 1.215 710 N HN -0.181 nan 8.380 nan 0.000 0.491 711 V N 2.659 122.432 119.914 -0.234 0.000 2.304 711 V HA 0.171 4.290 4.120 -0.002 0.000 0.262 711 V C -0.834 175.269 176.094 0.015 0.000 1.061 711 V CA -0.233 61.975 62.300 -0.153 0.000 0.872 711 V CB -0.461 31.277 31.823 -0.141 0.000 1.077 711 V HN 0.351 nan 8.190 nan 0.000 0.480 712 H N 3.076 122.109 119.070 -0.061 0.000 3.016 712 H HA -0.064 4.491 4.556 -0.002 0.000 0.345 712 H C 0.842 176.040 175.328 -0.217 0.000 1.066 712 H CA 0.167 56.114 56.048 -0.169 0.000 1.390 712 H CB 0.706 30.289 29.762 -0.298 0.000 1.344 712 H HN 0.634 nan 8.280 nan 0.000 0.605 713 F N 1.934 121.670 119.950 -0.357 0.000 2.250 713 F HA -0.249 4.276 4.527 -0.002 0.000 0.301 713 F C 2.538 178.029 175.800 -0.514 0.000 1.077 713 F CA 1.416 58.949 58.000 -0.778 0.000 1.348 713 F CB -0.139 38.616 39.000 -0.409 0.000 1.040 713 F HN 0.655 nan 8.300 nan 0.000 0.509 714 Q N 0.286 119.966 119.800 -0.201 0.000 2.173 714 Q HA -0.303 4.036 4.340 -0.002 0.000 0.208 714 Q C 1.942 177.716 176.000 -0.377 0.000 0.989 714 Q CA 2.212 57.843 55.803 -0.287 0.000 0.872 714 Q CB -0.306 28.232 28.738 -0.333 0.000 0.909 714 Q HN 0.595 nan 8.270 nan 0.000 0.420 715 Q N -0.344 119.271 119.800 -0.307 0.000 2.119 715 Q HA -0.086 4.253 4.340 -0.002 0.000 0.201 715 Q C 2.134 178.032 176.000 -0.169 0.000 0.972 715 Q CA 1.659 57.385 55.803 -0.129 0.000 0.847 715 Q CB 0.043 28.786 28.738 0.007 0.000 0.903 715 Q HN 0.354 nan 8.270 nan 0.000 0.433 716 S N 0.978 116.468 115.700 -0.350 0.000 2.446 716 S HA 0.072 4.541 4.470 -0.002 0.000 0.225 716 S C 2.078 176.432 174.600 -0.409 0.000 1.016 716 S CA 0.578 58.591 58.200 -0.312 0.000 0.943 716 S CB 0.003 63.056 63.200 -0.245 0.000 0.786 716 S HN 0.435 nan 8.310 nan 0.000 0.508 717 A N 1.675 124.153 122.820 -0.571 0.000 1.978 717 A HA -0.137 4.182 4.320 -0.002 0.000 0.220 717 A C 2.153 179.626 177.584 -0.185 0.000 1.170 717 A CA 1.146 52.968 52.037 -0.358 0.000 0.636 717 A CB -0.386 18.459 19.000 -0.258 0.000 0.810 717 A HN 0.336 nan 8.150 nan 0.000 0.448 718 Q N -0.509 119.194 119.800 -0.161 0.000 2.187 718 Q HA 0.029 4.368 4.340 -0.002 0.000 0.199 718 Q C 2.109 178.054 176.000 -0.092 0.000 0.957 718 Q CA 0.892 56.653 55.803 -0.069 0.000 0.857 718 Q CB -0.273 28.498 28.738 0.054 0.000 0.929 718 Q HN 0.782 nan 8.270 nan 0.000 0.453 719 I N 1.031 121.519 120.570 -0.136 0.000 2.202 719 I HA -0.264 3.905 4.170 -0.002 0.000 0.242 719 I C 2.563 178.521 176.117 -0.264 0.000 1.091 719 I CA 1.425 62.607 61.300 -0.197 0.000 1.368 719 I CB -0.482 37.408 38.000 -0.183 0.000 1.058 719 I HN 0.185 nan 8.210 nan 0.000 0.410 720 S N 0.978 116.546 115.700 -0.219 0.000 2.383 720 S HA -0.285 4.184 4.470 -0.002 0.000 0.229 720 S C 2.066 176.641 174.600 -0.042 0.000 1.030 720 S CA 1.546 59.658 58.200 -0.147 0.000 1.002 720 S CB -0.410 62.823 63.200 0.055 0.000 0.829 720 S HN 0.396 nan 8.310 nan 0.000 0.467 721 K N 0.988 121.359 120.400 -0.049 0.000 2.217 721 K HA 0.187 4.506 4.320 -0.002 0.000 0.202 721 K C 2.131 178.711 176.600 -0.034 0.000 1.051 721 K CA 0.828 57.106 56.287 -0.016 0.000 0.952 721 K CB -0.447 32.041 32.500 -0.020 0.000 0.736 721 K HN 0.496 nan 8.250 nan 0.000 0.453 722 A N 0.733 123.501 122.820 -0.086 0.000 1.930 722 A HA 0.013 4.332 4.320 -0.002 0.000 0.215 722 A C 1.925 179.440 177.584 -0.114 0.000 1.176 722 A CA 0.656 52.636 52.037 -0.095 0.000 0.632 722 A CB -0.317 18.609 19.000 -0.123 0.000 0.819 722 A HN 0.249 nan 8.150 nan 0.000 0.445 723 L N -0.486 120.623 121.223 -0.189 0.000 2.141 723 L HA -0.117 4.222 4.340 -0.002 0.000 0.209 723 L C 2.406 179.295 176.870 0.032 0.000 1.094 723 L CA 0.752 55.493 54.840 -0.165 0.000 0.763 723 L CB -0.507 41.314 42.059 -0.396 0.000 0.908 723 L HN 0.217 nan 8.230 nan 0.000 0.437 724 V N -0.447 119.513 119.914 0.078 0.000 2.358 724 V HA -0.245 3.874 4.120 -0.002 0.000 0.246 724 V C 1.993 178.119 176.094 0.053 0.000 1.047 724 V CA 1.712 64.077 62.300 0.108 0.000 1.035 724 V CB -0.486 31.401 31.823 0.108 0.000 0.658 724 V HN 0.394 nan 8.190 nan 0.000 0.452 725 D N -0.161 120.253 120.400 0.023 0.000 2.265 725 D HA -0.109 4.529 4.640 -0.002 0.000 0.208 725 D C 1.699 178.010 176.300 0.019 0.000 0.977 725 D CA 1.029 55.038 54.000 0.016 0.000 0.871 725 D CB 0.085 40.887 40.800 0.003 0.000 0.925 725 D HN 0.350 nan 8.370 nan 0.000 0.485 726 V N -0.763 119.163 119.914 0.020 0.000 3.578 726 V HA 0.232 4.351 4.120 -0.002 0.000 0.290 726 V C 1.254 177.374 176.094 0.044 0.000 1.376 726 V CA 0.611 62.927 62.300 0.026 0.000 1.083 726 V CB 0.445 32.277 31.823 0.015 0.000 0.911 726 V HN 0.322 nan 8.190 nan 0.000 0.433 727 G N 0.843 109.677 108.800 0.057 0.000 2.198 727 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.257 727 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.257 727 G C 0.049 175.005 174.900 0.094 0.000 1.042 727 G CA 0.325 45.466 45.100 0.069 0.000 0.791 727 G HN 0.393 nan 8.290 nan 0.000 0.502 728 V N 0.568 120.557 119.914 0.125 0.000 2.439 728 V HA 0.489 4.608 4.120 -0.002 0.000 0.282 728 V C 0.510 176.764 176.094 0.267 0.000 1.039 728 V CA -0.455 61.950 62.300 0.174 0.000 0.913 728 V CB 1.743 33.667 31.823 0.168 0.000 0.983 728 V HN 0.431 nan 8.190 nan 0.000 0.460 729 D N 3.672 124.214 120.400 0.237 0.000 2.329 729 D HA 0.630 5.268 4.640 -0.002 0.000 0.246 729 D C -0.574 175.963 176.300 0.395 0.000 1.111 729 D CA 0.208 54.338 54.000 0.216 0.000 0.941 729 D CB 1.029 41.895 40.800 0.110 0.000 1.169 729 D HN 0.351 nan 8.370 nan 0.000 0.441 730 F N -1.458 118.565 119.950 0.121 0.000 2.900 730 F HA 0.410 4.935 4.527 -0.002 0.000 0.321 730 F C -1.515 174.330 175.800 0.074 0.000 1.160 730 F CA -1.062 57.027 58.000 0.149 0.000 0.890 730 F CB 0.604 39.723 39.000 0.198 0.000 1.334 730 F HN 0.225 nan 8.300 nan 0.000 0.459 731 Q N 1.066 120.937 119.800 0.117 0.000 2.297 731 Q HA 0.901 5.239 4.340 -0.002 0.000 0.268 731 Q C -1.084 174.923 176.000 0.012 0.000 1.045 731 Q CA -1.096 54.678 55.803 -0.048 0.000 0.861 731 Q CB 2.383 31.131 28.738 0.017 0.000 1.344 731 Q HN 1.001 nan 8.270 nan 0.000 0.452 732 A N 1.364 124.160 122.820 -0.040 0.000 2.593 732 A HA 0.899 5.218 4.320 -0.002 0.000 0.290 732 A C -1.685 175.864 177.584 -0.058 0.000 1.126 732 A CA -0.592 51.454 52.037 0.015 0.000 0.695 732 A CB 1.965 21.043 19.000 0.131 0.000 1.290 732 A HN 0.640 nan 8.150 nan 0.000 0.414 733 M N 0.782 120.338 119.600 -0.074 0.000 2.296 733 M HA 0.558 5.037 4.480 -0.002 0.000 0.268 733 M C -2.138 174.041 176.300 -0.201 0.000 1.048 733 M CA -0.259 54.859 55.300 -0.303 0.000 0.966 733 M CB 0.973 33.315 32.600 -0.430 0.000 1.912 733 M HN 1.079 nan 8.290 nan 0.000 0.484 734 W N 4.004 125.174 121.300 -0.217 0.000 2.509 734 W HA 0.800 5.459 4.660 -0.002 0.000 0.351 734 W C -2.049 174.264 176.519 -0.343 0.000 1.107 734 W CA -0.877 56.440 57.345 -0.047 0.000 1.264 734 W CB 0.427 29.917 29.460 0.049 0.000 1.312 734 W HN 0.610 nan 8.180 nan 0.000 0.608 735 Y N 2.184 122.603 120.300 0.198 0.000 2.376 735 Y HA 0.309 4.858 4.550 -0.002 0.000 0.326 735 Y C 0.721 176.734 175.900 0.189 0.000 0.970 735 Y CA -1.109 57.009 58.100 0.030 0.000 1.248 735 Y CB 1.614 40.071 38.460 -0.005 0.000 1.117 735 Y HN 0.633 nan 8.280 nan 0.000 0.476 736 T N 1.250 115.979 114.554 0.292 0.000 2.870 736 T HA 0.160 4.509 4.350 -0.002 0.000 0.300 736 T C 0.343 175.109 174.700 0.109 0.000 0.989 736 T CA 0.150 62.369 62.100 0.198 0.000 1.139 736 T CB 0.273 69.199 68.868 0.097 0.000 0.920 736 T HN 0.793 nan 8.240 nan 0.000 0.537 737 D N 0.613 121.052 120.400 0.065 0.000 3.006 737 D HA -0.106 4.532 4.640 -0.002 0.000 0.205 737 D C 0.013 176.421 176.300 0.180 0.000 1.075 737 D CA 1.022 55.000 54.000 -0.037 0.000 1.000 737 D CB -0.702 39.885 40.800 -0.356 0.000 1.097 737 D HN 0.704 nan 8.370 nan 0.000 0.426 738 E N 0.850 121.178 120.200 0.214 0.000 2.318 738 E HA 0.396 4.745 4.350 -0.002 0.000 0.265 738 E C 0.754 177.527 176.600 0.288 0.000 1.069 738 E CA -0.189 56.359 56.400 0.246 0.000 0.893 738 E CB 1.180 31.012 29.700 0.219 0.000 1.076 738 E HN 0.338 nan 8.360 nan 0.000 0.414 739 D N -1.109 119.478 120.400 0.311 0.000 2.538 739 D HA 0.036 4.674 4.640 -0.002 0.000 0.262 739 D C 1.037 177.577 176.300 0.400 0.000 1.186 739 D CA -0.177 54.034 54.000 0.351 0.000 1.090 739 D CB -0.269 40.763 40.800 0.387 0.000 1.187 739 D HN 0.354 nan 8.370 nan 0.000 0.614 740 H N -1.485 117.765 119.070 0.300 0.000 2.457 740 H HA 0.158 4.712 4.556 -0.002 0.000 0.294 740 H C 1.904 177.502 175.328 0.450 0.000 1.064 740 H CA 1.920 58.166 56.048 0.330 0.000 1.330 740 H CB -0.384 29.559 29.762 0.301 0.000 1.395 740 H HN 0.487 nan 8.280 nan 0.000 0.541 741 G N -0.321 108.688 108.800 0.349 0.000 2.777 741 G HA2 0.004 3.963 3.960 -0.002 0.000 0.211 741 G HA3 0.004 3.963 3.960 -0.002 0.000 0.211 741 G C 0.553 175.673 174.900 0.367 0.000 1.149 741 G CA 0.212 45.452 45.100 0.234 0.000 0.785 741 G HN 0.475 nan 8.290 nan 0.000 0.536 742 I N 0.273 121.059 120.570 0.360 0.000 3.738 742 I HA -0.324 3.845 4.170 -0.002 0.000 0.126 742 I C 1.461 177.715 176.117 0.227 0.000 1.027 742 I CA 0.197 61.647 61.300 0.249 0.000 2.739 742 I CB -0.889 37.208 38.000 0.163 0.000 1.336 742 I HN 0.231 nan 8.210 nan 0.000 0.342 743 A N 2.283 125.211 122.820 0.179 0.000 2.469 743 A HA 0.287 4.606 4.320 -0.002 0.000 0.245 743 A C 1.101 178.736 177.584 0.085 0.000 1.221 743 A CA 0.512 52.627 52.037 0.129 0.000 0.946 743 A CB 0.254 19.300 19.000 0.076 0.000 1.049 743 A HN 0.657 nan 8.150 nan 0.000 0.529 744 S N 0.860 116.620 115.700 0.100 0.000 2.558 744 S HA 0.128 4.597 4.470 -0.002 0.000 0.288 744 S C 1.282 175.927 174.600 0.076 0.000 1.318 744 S CA 0.302 58.550 58.200 0.079 0.000 1.056 744 S CB 0.727 63.981 63.200 0.091 0.000 0.853 744 S HN 0.711 nan 8.310 nan 0.000 0.505 745 S N 2.538 118.267 115.700 0.049 0.000 2.374 745 S HA -0.227 4.242 4.470 -0.002 0.000 0.227 745 S C 2.058 176.715 174.600 0.096 0.000 1.037 745 S CA 1.664 59.897 58.200 0.054 0.000 1.024 745 S CB -1.896 61.316 63.200 0.020 0.000 0.861 745 S HN 1.066 nan 8.310 nan 0.000 0.456 746 T N 0.831 115.431 114.554 0.077 0.000 2.777 746 T HA 0.184 4.533 4.350 -0.002 0.000 0.266 746 T C 2.012 176.768 174.700 0.093 0.000 1.040 746 T CA 0.978 63.127 62.100 0.082 0.000 1.141 746 T CB -0.769 68.139 68.868 0.068 0.000 0.868 746 T HN 0.509 nan 8.240 nan 0.000 0.444 747 A N 1.412 124.268 122.820 0.059 0.000 1.898 747 A HA -0.070 4.248 4.320 -0.002 0.000 0.216 747 A C 2.185 179.730 177.584 -0.065 0.000 1.181 747 A CA 1.960 53.967 52.037 -0.050 0.000 0.620 747 A CB -1.199 17.751 19.000 -0.084 0.000 0.819 747 A HN 0.769 nan 8.150 nan 0.000 0.442 748 H N -0.182 118.874 119.070 -0.022 0.000 2.293 748 H HA -0.139 4.416 4.556 -0.002 0.000 0.300 748 H C 2.133 177.523 175.328 0.104 0.000 1.082 748 H CA 2.288 58.377 56.048 0.069 0.000 1.308 748 H CB -0.229 29.579 29.762 0.076 0.000 1.375 748 H HN 0.559 nan 8.280 nan 0.000 0.495 749 Q N -1.191 118.659 119.800 0.084 0.000 2.135 749 Q HA -0.242 4.097 4.340 -0.002 0.000 0.204 749 Q C 2.128 178.133 176.000 0.009 0.000 0.981 749 Q CA 1.827 57.633 55.803 0.004 0.000 0.856 749 Q CB -0.195 28.567 28.738 0.040 0.000 0.902 749 Q HN 0.701 nan 8.270 nan 0.000 0.425 750 H N 0.181 119.228 119.070 -0.039 0.000 2.372 750 H HA 0.005 4.560 4.556 -0.002 0.000 0.301 750 H C 1.976 177.302 175.328 -0.002 0.000 1.065 750 H CA 1.211 57.264 56.048 0.009 0.000 1.364 750 H CB 0.114 29.932 29.762 0.094 0.000 1.406 750 H HN 0.216 nan 8.280 nan 0.000 0.521 751 I N -0.247 120.335 120.570 0.021 0.000 2.252 751 I HA -0.304 3.865 4.170 -0.002 0.000 0.245 751 I C 1.301 177.238 176.117 -0.301 0.000 1.102 751 I CA 1.326 62.563 61.300 -0.105 0.000 1.385 751 I CB -0.139 37.587 38.000 -0.455 0.000 1.064 751 I HN 0.324 nan 8.210 nan 0.000 0.414 752 Y N 1.209 121.314 120.300 -0.324 0.000 2.293 752 Y HA -0.206 4.343 4.550 -0.002 0.000 0.291 752 Y C 2.712 178.417 175.900 -0.324 0.000 1.137 752 Y CA 1.873 59.670 58.100 -0.505 0.000 1.202 752 Y CB -0.919 37.224 38.460 -0.529 0.000 0.990 752 Y HN 0.183 nan 8.280 nan 0.000 0.537 753 T N -1.625 112.863 114.554 -0.110 0.000 2.674 753 T HA -0.256 4.092 4.350 -0.002 0.000 0.265 753 T C 1.582 176.160 174.700 -0.203 0.000 1.039 753 T CA 1.958 63.948 62.100 -0.183 0.000 1.150 753 T CB -0.560 68.185 68.868 -0.205 0.000 0.864 753 T HN 0.385 nan 8.240 nan 0.000 0.427 754 H N 0.583 119.524 119.070 -0.215 0.000 2.421 754 H HA 0.125 4.679 4.556 -0.002 0.000 0.298 754 H C 2.073 177.386 175.328 -0.026 0.000 1.087 754 H CA 1.353 57.347 56.048 -0.090 0.000 1.330 754 H CB -0.239 29.492 29.762 -0.051 0.000 1.388 754 H HN 0.287 nan 8.280 nan 0.000 0.526 755 M N -1.314 118.214 119.600 -0.120 0.000 2.236 755 M HA -0.101 4.378 4.480 -0.002 0.000 0.266 755 M C 2.363 178.757 176.300 0.157 0.000 1.070 755 M CA 1.003 56.233 55.300 -0.116 0.000 1.137 755 M CB 0.183 32.488 32.600 -0.491 0.000 1.378 755 M HN 0.168 nan 8.290 nan 0.000 0.426 756 S N -0.310 115.510 115.700 0.200 0.000 2.351 756 S HA -0.182 4.287 4.470 -0.002 0.000 0.220 756 S C 1.705 176.424 174.600 0.198 0.000 1.035 756 S CA 1.223 59.640 58.200 0.362 0.000 1.031 756 S CB -0.683 62.696 63.200 0.299 0.000 0.928 756 S HN 0.451 nan 8.310 nan 0.000 0.433 757 H N -0.153 118.986 119.070 0.116 0.000 2.426 757 H HA -0.086 4.469 4.556 -0.002 0.000 0.298 757 H C 1.883 177.222 175.328 0.018 0.000 1.107 757 H CA 1.354 57.426 56.048 0.040 0.000 1.298 757 H CB -0.655 29.093 29.762 -0.024 0.000 1.377 757 H HN 0.496 nan 8.280 nan 0.000 0.519 758 F N 0.701 120.644 119.950 -0.011 0.000 2.149 758 F HA -0.113 4.412 4.527 -0.002 0.000 0.294 758 F C 2.229 177.988 175.800 -0.069 0.000 1.095 758 F CA 0.666 58.623 58.000 -0.073 0.000 1.276 758 F CB -0.151 38.771 39.000 -0.130 0.000 1.023 758 F HN -0.075 nan 8.300 nan 0.000 0.480 759 I N 1.084 121.642 120.570 -0.020 0.000 2.179 759 I HA -0.279 3.890 4.170 -0.002 0.000 0.242 759 I C 2.254 178.184 176.117 -0.312 0.000 1.088 759 I CA 1.449 62.574 61.300 -0.292 0.000 1.357 759 I CB -1.343 36.579 38.000 -0.131 0.000 1.051 759 I HN 0.220 nan 8.210 nan 0.000 0.409 760 K N 0.735 121.102 120.400 -0.055 0.000 2.044 760 K HA -0.265 4.053 4.320 -0.002 0.000 0.210 760 K C 1.993 178.589 176.600 -0.007 0.000 1.049 760 K CA 2.153 58.462 56.287 0.036 0.000 0.927 760 K CB -0.312 32.263 32.500 0.124 0.000 0.713 760 K HN 0.484 nan 8.250 nan 0.000 0.443 761 Q N 0.537 120.290 119.800 -0.079 0.000 2.245 761 Q HA -0.091 4.248 4.340 -0.002 0.000 0.201 761 Q C 2.094 178.003 176.000 -0.152 0.000 0.955 761 Q CA 1.459 57.207 55.803 -0.091 0.000 0.870 761 Q CB -0.948 27.733 28.738 -0.095 0.000 0.945 761 Q HN 0.316 nan 8.270 nan 0.000 0.461 762 c N -0.434 117.969 118.600 -0.328 0.000 2.432 762 c HA 0.097 4.666 4.570 -0.002 0.000 0.280 762 c C 1.184 175.250 174.090 -0.039 0.000 1.353 762 c CA 0.209 56.336 56.329 -0.337 0.000 1.766 762 c CB -1.085 41.033 42.510 -0.654 0.000 1.924 762 c HN 0.585 nan 8.230 nan 0.000 0.509 763 F N 1.628 121.536 119.950 -0.070 0.000 2.664 763 F HA 0.269 4.795 4.527 -0.002 0.000 0.303 763 F C 1.538 177.324 175.800 -0.023 0.000 1.092 763 F CA 0.095 58.077 58.000 -0.029 0.000 1.305 763 F CB -1.030 37.962 39.000 -0.013 0.000 1.054 763 F HN 0.190 nan 8.300 nan 0.000 0.565 764 S N 0.963 116.746 115.700 0.138 0.000 3.614 764 S HA -0.217 4.252 4.470 -0.002 0.000 0.360 764 S C -0.126 174.519 174.600 0.075 0.000 1.023 764 S CA 0.217 58.462 58.200 0.074 0.000 1.114 764 S CB -2.182 61.050 63.200 0.053 0.000 0.907 764 S HN 0.252 nan 8.310 nan 0.000 0.470 765 L N 0.913 122.194 121.223 0.096 0.000 2.313 765 L HA 0.561 4.900 4.340 -0.002 0.000 0.283 765 L C -1.863 175.053 176.870 0.077 0.000 1.013 765 L CA -2.065 52.828 54.840 0.087 0.000 0.816 765 L CB 1.297 43.427 42.059 0.119 0.000 1.236 765 L HN 0.004 nan 8.230 nan 0.000 0.419 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.065 0.000 0.800 766 P CB 0.000 31.728 31.700 0.047 0.000 0.726