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 2i78_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.637 174.600 0.062 0.000 1.055 39 S CA 0.000 58.226 58.200 0.043 0.000 1.107 39 S CB 0.000 63.221 63.200 0.034 0.000 0.593 40 R N 0.189 120.725 120.500 0.060 0.000 3.090 40 R HA -0.214 4.128 4.340 0.002 0.000 0.623 40 R C -0.465 175.884 176.300 0.082 0.000 0.950 40 R CA 0.982 57.124 56.100 0.070 0.000 1.854 40 R CB -1.196 29.145 30.300 0.068 0.000 1.842 40 R HN 0.955 nan 8.270 nan 0.000 0.606 41 K N 0.614 121.068 120.400 0.090 0.000 2.149 41 K HA 0.374 4.695 4.320 0.002 0.000 0.245 41 K C -0.089 176.578 176.600 0.111 0.000 1.024 41 K CA -0.179 56.170 56.287 0.103 0.000 0.899 41 K CB 0.763 33.336 32.500 0.121 0.000 1.038 41 K HN 0.815 nan 8.250 nan 0.000 0.496 42 T N -2.417 112.213 114.554 0.126 0.000 2.937 42 T HA 0.173 4.524 4.350 0.002 0.000 0.283 42 T C -0.775 174.045 174.700 0.201 0.000 1.012 42 T CA -0.816 61.372 62.100 0.146 0.000 0.997 42 T CB 0.554 69.506 68.868 0.140 0.000 1.136 42 T HN 0.529 nan 8.240 nan 0.000 0.551 43 Y N 2.499 122.858 120.300 0.098 0.000 2.486 43 Y HA 0.387 4.939 4.550 0.003 0.000 0.348 43 Y C 0.913 176.969 175.900 0.261 0.000 1.000 43 Y CA -0.301 57.892 58.100 0.156 0.000 1.253 43 Y CB -0.103 38.409 38.460 0.086 0.000 1.140 43 Y HN 1.002 nan 8.280 nan 0.000 0.526 44 T N 2.423 116.966 114.554 -0.019 0.000 2.881 44 T HA 0.155 4.506 4.350 0.002 0.000 0.278 44 T C 0.936 175.574 174.700 -0.102 0.000 0.982 44 T CA -0.772 61.383 62.100 0.091 0.000 0.989 44 T CB 1.301 70.188 68.868 0.031 0.000 1.058 44 T HN 0.686 nan 8.240 nan 0.000 0.529 45 L N 1.220 122.244 121.223 -0.331 0.000 2.046 45 L HA -0.005 4.337 4.340 0.002 0.000 0.208 45 L C 2.638 179.396 176.870 -0.185 0.000 1.077 45 L CA 2.299 56.835 54.840 -0.507 0.000 0.747 45 L CB -1.476 40.147 42.059 -0.727 0.000 0.896 45 L HN 0.988 nan 8.230 nan 0.000 0.432 46 T N -0.938 113.529 114.554 -0.145 0.000 2.720 46 T HA -0.192 4.160 4.350 0.002 0.000 0.268 46 T C 1.526 176.152 174.700 -0.124 0.000 1.037 46 T CA 1.484 63.521 62.100 -0.105 0.000 1.144 46 T CB -0.550 68.275 68.868 -0.071 0.000 0.864 46 T HN 0.385 nan 8.240 nan 0.000 0.444 47 D N 0.270 120.566 120.400 -0.173 0.000 2.104 47 D HA -0.102 4.539 4.640 0.002 0.000 0.194 47 D C 1.788 177.997 176.300 -0.151 0.000 0.994 47 D CA 1.132 54.992 54.000 -0.233 0.000 0.830 47 D CB -0.487 40.076 40.800 -0.394 0.000 0.959 47 D HN 0.460 nan 8.370 nan 0.000 0.452 48 Y N 1.386 121.529 120.300 -0.262 0.000 2.200 48 Y HA -0.096 4.456 4.550 0.002 0.000 0.290 48 Y C 2.130 178.044 175.900 0.023 0.000 1.137 48 Y CA 1.201 59.310 58.100 0.015 0.000 1.163 48 Y CB -0.443 38.093 38.460 0.126 0.000 0.988 48 Y HN -0.088 nan 8.280 nan 0.000 0.518 49 L N -0.260 120.811 121.223 -0.253 0.000 2.131 49 L HA -0.088 4.253 4.340 0.002 0.000 0.206 49 L C 1.781 178.552 176.870 -0.165 0.000 1.087 49 L CA 0.978 55.646 54.840 -0.288 0.000 0.767 49 L CB -0.368 41.593 42.059 -0.164 0.000 0.917 49 L HN -0.024 nan 8.230 nan 0.000 0.441 50 K N 0.044 120.370 120.400 -0.122 0.000 2.374 50 K HA 0.077 4.398 4.320 0.002 0.000 0.196 50 K C 0.025 176.573 176.600 -0.087 0.000 1.023 50 K CA -0.116 56.116 56.287 -0.092 0.000 1.103 50 K CB -0.488 31.962 32.500 -0.083 0.000 0.848 50 K HN 0.201 nan 8.250 nan 0.000 0.528 51 N N 1.313 119.967 118.700 -0.077 0.000 2.714 51 N HA -0.220 4.521 4.740 0.002 0.000 0.252 51 N C 0.521 175.998 175.510 -0.055 0.000 1.014 51 N CA 0.533 53.570 53.050 -0.022 0.000 0.735 51 N CB -0.488 37.987 38.487 -0.021 0.000 0.924 51 N HN 0.377 nan 8.380 nan 0.000 0.540 52 T N -3.087 111.378 114.554 -0.149 0.000 2.788 52 T HA -0.191 4.161 4.350 0.002 0.000 0.268 52 T C 0.593 175.031 174.700 -0.437 0.000 1.044 52 T CA 1.224 63.111 62.100 -0.355 0.000 1.139 52 T CB -0.186 68.341 68.868 -0.568 0.000 0.867 52 T HN 0.342 nan 8.240 nan 0.000 0.454 53 Y N 2.092 122.475 120.300 0.139 0.000 2.700 53 Y HA 0.544 5.096 4.550 0.002 0.000 0.333 53 Y C 0.660 176.665 175.900 0.174 0.000 1.036 53 Y CA -1.349 56.860 58.100 0.182 0.000 1.287 53 Y CB 0.283 38.913 38.460 0.284 0.000 1.132 53 Y HN -0.015 nan 8.280 nan 0.000 0.510 54 R N 2.644 123.266 120.500 0.203 0.000 2.349 54 R HA 0.473 4.814 4.340 0.002 0.000 0.299 54 R C -0.824 175.574 176.300 0.163 0.000 1.027 54 R CA -0.729 55.465 56.100 0.155 0.000 0.958 54 R CB 0.829 31.177 30.300 0.081 0.000 1.047 54 R HN 0.632 nan 8.270 nan 0.000 0.468 55 L N 5.066 126.386 121.223 0.162 0.000 2.315 55 L HA 0.209 4.551 4.340 0.002 0.000 0.283 55 L C 0.378 177.309 176.870 0.101 0.000 1.089 55 L CA -0.054 54.877 54.840 0.152 0.000 0.833 55 L CB 0.733 42.903 42.059 0.184 0.000 1.170 55 L HN 0.407 nan 8.230 nan 0.000 0.442 56 K N 4.507 124.953 120.400 0.077 0.000 2.295 56 K HA 0.398 4.720 4.320 0.002 0.000 0.270 56 K C -0.441 176.147 176.600 -0.020 0.000 1.011 56 K CA -0.231 56.071 56.287 0.026 0.000 0.953 56 K CB 0.986 33.498 32.500 0.020 0.000 0.956 56 K HN 0.383 nan 8.250 nan 0.000 0.477 57 L N 0.954 122.105 121.223 -0.119 0.000 2.267 57 L HA 0.466 4.807 4.340 0.002 0.000 0.264 57 L C -0.725 175.837 176.870 -0.512 0.000 1.021 57 L CA -1.021 53.610 54.840 -0.348 0.000 0.861 57 L CB 0.477 42.466 42.059 -0.118 0.000 1.443 57 L HN 0.468 nan 8.230 nan 0.000 0.475 58 Y N 0.133 119.900 120.300 -0.888 0.000 2.520 58 Y HA 0.371 4.922 4.550 0.002 0.000 0.339 58 Y C -0.778 175.017 175.900 -0.175 0.000 1.113 58 Y CA -0.524 57.329 58.100 -0.412 0.000 1.255 58 Y CB 1.160 39.307 38.460 -0.521 0.000 1.099 58 Y HN 0.443 nan 8.280 nan 0.000 0.628 59 S N 5.491 121.112 115.700 -0.132 0.000 2.448 59 S HA 0.535 5.006 4.470 0.002 0.000 0.279 59 S C -0.613 173.899 174.600 -0.147 0.000 1.195 59 S CA -0.452 57.693 58.200 -0.091 0.000 1.051 59 S CB -0.025 63.115 63.200 -0.100 0.000 0.948 59 S HN 0.553 nan 8.310 nan 0.000 0.493 60 L N 1.358 122.500 121.223 -0.136 0.000 2.323 60 L HA 0.796 5.138 4.340 0.002 0.000 0.265 60 L C -0.282 176.484 176.870 -0.174 0.000 1.012 60 L CA -0.837 53.872 54.840 -0.219 0.000 0.820 60 L CB 1.027 42.677 42.059 -0.682 0.000 1.334 60 L HN 0.290 nan 8.230 nan 0.000 0.427 61 R N 1.178 121.620 120.500 -0.096 0.000 2.468 61 R HA 0.318 4.660 4.340 0.002 0.000 0.302 61 R C -1.652 174.690 176.300 0.071 0.000 1.041 61 R CA -0.426 55.679 56.100 0.007 0.000 0.899 61 R CB 0.967 31.294 30.300 0.044 0.000 1.167 61 R HN 0.855 nan 8.270 nan 0.000 0.483 62 W N 4.277 125.679 121.300 0.171 0.000 2.170 62 W HA 0.045 4.707 4.660 0.003 0.000 0.342 62 W C 1.793 178.393 176.519 0.135 0.000 1.294 62 W CA -0.170 57.290 57.345 0.192 0.000 1.246 62 W CB 0.495 30.061 29.460 0.178 0.000 1.156 62 W HN 0.598 nan 8.180 nan 0.000 0.572 63 I N -0.482 120.324 120.570 0.393 0.000 4.338 63 I HA 0.361 4.533 4.170 0.002 0.000 0.329 63 I C 0.335 176.584 176.117 0.220 0.000 1.378 63 I CA -0.197 61.237 61.300 0.224 0.000 1.170 63 I CB -0.059 37.996 38.000 0.093 0.000 1.206 63 I HN 0.253 nan 8.210 nan 0.000 0.432 64 S N -0.748 115.125 115.700 0.289 0.000 2.694 64 S HA 0.262 4.734 4.470 0.002 0.000 0.273 64 S C -0.255 174.455 174.600 0.182 0.000 1.180 64 S CA -0.283 58.058 58.200 0.235 0.000 0.864 64 S CB 1.284 64.651 63.200 0.279 0.000 1.198 64 S HN 0.028 nan 8.310 nan 0.000 0.499 65 D N -0.554 119.891 120.400 0.075 0.000 2.378 65 D HA 0.159 4.801 4.640 0.002 0.000 0.227 65 D C 0.892 176.999 176.300 -0.321 0.000 1.012 65 D CA 1.255 55.118 54.000 -0.229 0.000 0.905 65 D CB -0.116 40.459 40.800 -0.375 0.000 0.895 65 D HN 0.629 nan 8.370 nan 0.000 0.532 66 H N -1.759 117.470 119.070 0.265 0.000 3.457 66 H HA 0.407 4.965 4.556 0.002 0.000 0.255 66 H C -0.057 175.411 175.328 0.232 0.000 1.082 66 H CA -0.233 55.972 56.048 0.261 0.000 1.189 66 H CB 0.895 30.775 29.762 0.196 0.000 1.511 66 H HN -0.027 nan 8.280 nan 0.000 0.527 67 E N 0.530 120.989 120.200 0.432 0.000 2.367 67 E HA 0.362 4.713 4.350 0.002 0.000 0.273 67 E C -1.481 175.345 176.600 0.377 0.000 0.903 67 E CA -1.187 55.378 56.400 0.276 0.000 0.764 67 E CB 2.971 32.758 29.700 0.145 0.000 1.252 67 E HN 0.185 nan 8.360 nan 0.000 0.446 68 Y N -0.958 119.387 120.300 0.074 0.000 2.605 68 Y HA 0.662 5.213 4.550 0.002 0.000 0.343 68 Y C -1.358 174.517 175.900 -0.042 0.000 1.036 68 Y CA -1.388 56.647 58.100 -0.109 0.000 1.065 68 Y CB 0.854 38.926 38.460 -0.646 0.000 1.288 68 Y HN 0.328 nan 8.280 nan 0.000 0.481 69 L N 2.601 123.899 121.223 0.125 0.000 2.325 69 L HA 0.346 4.687 4.340 0.002 0.000 0.279 69 L C -1.250 175.763 176.870 0.239 0.000 1.054 69 L CA -0.943 53.924 54.840 0.046 0.000 0.804 69 L CB 1.198 43.153 42.059 -0.172 0.000 1.200 69 L HN 0.734 nan 8.230 nan 0.000 0.436 70 Y N 3.697 124.063 120.300 0.110 0.000 2.575 70 Y HA 0.246 4.798 4.550 0.002 0.000 0.326 70 Y C -0.143 175.714 175.900 -0.072 0.000 0.979 70 Y CA -1.173 56.944 58.100 0.027 0.000 1.286 70 Y CB 0.516 39.060 38.460 0.140 0.000 1.093 70 Y HN 0.356 nan 8.280 nan 0.000 0.501 71 K N 6.230 126.332 120.400 -0.496 0.000 2.079 71 K HA 0.042 4.363 4.320 0.002 0.000 0.255 71 K C -0.089 176.158 176.600 -0.588 0.000 1.114 71 K CA 0.245 56.267 56.287 -0.442 0.000 1.056 71 K CB 0.088 32.400 32.500 -0.313 0.000 1.176 71 K HN 0.798 nan 8.250 nan 0.000 0.353 72 Q N 0.993 120.523 119.800 -0.451 0.000 2.382 72 Q HA 0.002 4.343 4.340 0.002 0.000 0.229 72 Q C 1.370 177.250 176.000 -0.200 0.000 1.006 72 Q CA -0.200 55.403 55.803 -0.333 0.000 0.916 72 Q CB 0.957 29.608 28.738 -0.145 0.000 1.235 72 Q HN 0.500 nan 8.270 nan 0.000 0.512 73 E N 1.452 121.570 120.200 -0.136 0.000 2.110 73 E HA -0.244 4.108 4.350 0.002 0.000 0.193 73 E C 0.495 177.069 176.600 -0.043 0.000 0.988 73 E CA 1.220 57.575 56.400 -0.075 0.000 0.804 73 E CB 0.238 29.907 29.700 -0.053 0.000 0.745 73 E HN 0.546 nan 8.360 nan 0.000 0.458 74 N N 1.067 119.742 118.700 -0.042 0.000 2.174 74 N HA -0.067 4.674 4.740 0.002 0.000 0.191 74 N C 0.639 176.131 175.510 -0.030 0.000 1.059 74 N CA 1.091 54.128 53.050 -0.020 0.000 0.889 74 N CB -0.547 37.934 38.487 -0.011 0.000 1.069 74 N HN 0.210 nan 8.380 nan 0.000 0.461 75 N N -0.085 118.590 118.700 -0.041 0.000 2.701 75 N HA 0.470 5.211 4.740 0.002 0.000 0.290 75 N C -1.061 174.404 175.510 -0.075 0.000 1.338 75 N CA -0.687 52.332 53.050 -0.052 0.000 0.799 75 N CB 1.120 39.594 38.487 -0.022 0.000 1.491 75 N HN 0.119 nan 8.380 nan 0.000 0.540 76 I N 0.472 121.002 120.570 -0.066 0.000 2.315 76 I HA 0.302 4.473 4.170 0.002 0.000 0.291 76 I C -0.479 175.672 176.117 0.057 0.000 1.006 76 I CA -0.735 60.535 61.300 -0.051 0.000 1.265 76 I CB 0.549 38.490 38.000 -0.098 0.000 1.387 76 I HN 0.213 nan 8.210 nan 0.000 0.475 77 L N 6.617 127.889 121.223 0.082 0.000 2.343 77 L HA 0.535 4.876 4.340 0.002 0.000 0.275 77 L C -0.090 176.796 176.870 0.028 0.000 1.056 77 L CA -0.885 53.980 54.840 0.040 0.000 0.804 77 L CB 1.911 43.959 42.059 -0.019 0.000 1.203 77 L HN 0.360 nan 8.230 nan 0.000 0.440 78 V N 2.872 122.755 119.914 -0.051 0.000 2.439 78 V HA 0.448 4.570 4.120 0.002 0.000 0.282 78 V C -0.871 175.041 176.094 -0.302 0.000 1.039 78 V CA -0.128 62.115 62.300 -0.096 0.000 0.913 78 V CB 1.242 33.095 31.823 0.050 0.000 0.983 78 V HN 0.457 nan 8.190 nan 0.000 0.460 79 F N 5.366 125.046 119.950 -0.450 0.000 2.495 79 F HA 0.471 4.999 4.527 0.002 0.000 0.327 79 F C 0.441 175.963 175.800 -0.463 0.000 1.103 79 F CA -0.510 57.141 58.000 -0.582 0.000 0.949 79 F CB 1.681 39.971 39.000 -1.183 0.000 1.142 79 F HN 0.518 nan 8.300 nan 0.000 0.457 80 N N 2.439 121.096 118.700 -0.071 0.000 2.408 80 N HA 0.210 4.951 4.740 0.002 0.000 0.257 80 N C 0.471 175.952 175.510 -0.049 0.000 1.064 80 N CA 0.167 53.205 53.050 -0.019 0.000 0.952 80 N CB 1.760 40.289 38.487 0.070 0.000 1.093 80 N HN 0.822 nan 8.380 nan 0.000 0.490 81 A N 3.562 126.291 122.820 -0.152 0.000 2.015 81 A HA -0.143 4.179 4.320 0.002 0.000 0.219 81 A C 1.875 179.199 177.584 -0.432 0.000 1.163 81 A CA 1.334 53.184 52.037 -0.311 0.000 0.646 81 A CB -0.236 18.410 19.000 -0.591 0.000 0.806 81 A HN 0.817 nan 8.150 nan 0.000 0.448 82 E N -1.074 118.891 120.200 -0.391 0.000 2.046 82 E HA -0.130 4.222 4.350 0.002 0.000 0.190 82 E C 1.297 177.641 176.600 -0.427 0.000 0.982 82 E CA 1.569 57.736 56.400 -0.388 0.000 0.800 82 E CB -0.319 29.052 29.700 -0.548 0.000 0.756 82 E HN 0.674 nan 8.360 nan 0.000 0.449 83 Y N -1.513 118.800 120.300 0.022 0.000 2.481 83 Y HA 0.391 4.942 4.550 0.002 0.000 0.258 83 Y C 1.603 177.516 175.900 0.022 0.000 1.103 83 Y CA 0.266 58.378 58.100 0.021 0.000 1.287 83 Y CB 0.921 39.391 38.460 0.017 0.000 1.108 83 Y HN 0.223 nan 8.280 nan 0.000 0.529 84 G N 1.008 109.894 108.800 0.143 0.000 2.159 84 G HA2 -0.315 3.646 3.960 0.002 0.000 0.256 84 G HA3 -0.315 3.646 3.960 0.002 0.000 0.256 84 G C 0.039 175.067 174.900 0.213 0.000 0.977 84 G CA 0.182 45.385 45.100 0.172 0.000 0.652 84 G HN 0.472 nan 8.290 nan 0.000 0.531 85 N N 0.500 119.277 118.700 0.128 0.000 2.503 85 N HA 0.560 5.301 4.740 0.002 0.000 0.267 85 N C 0.068 175.476 175.510 -0.170 0.000 1.214 85 N CA 0.681 53.735 53.050 0.006 0.000 0.959 85 N CB 1.540 40.030 38.487 0.004 0.000 1.142 85 N HN 0.898 nan 8.380 nan 0.000 0.455 86 S N -0.236 115.257 115.700 -0.345 0.000 2.661 86 S HA 0.764 5.236 4.470 0.002 0.000 0.285 86 S C -0.908 173.489 174.600 -0.338 0.000 1.138 86 S CA -0.811 57.031 58.200 -0.596 0.000 0.855 86 S CB 1.489 63.852 63.200 -1.396 0.000 1.136 86 S HN 0.661 nan 8.310 nan 0.000 0.484 87 S N -0.044 115.483 115.700 -0.289 0.000 2.627 87 S HA 0.630 5.101 4.470 0.002 0.000 0.283 87 S C -0.850 173.677 174.600 -0.121 0.000 1.127 87 S CA -0.816 57.287 58.200 -0.161 0.000 0.863 87 S CB 1.484 64.624 63.200 -0.100 0.000 1.121 87 S HN 0.765 nan 8.310 nan 0.000 0.479 88 V N 2.432 122.300 119.914 -0.076 0.000 2.521 88 V HA 0.164 4.286 4.120 0.002 0.000 0.286 88 V C 0.471 176.572 176.094 0.012 0.000 1.034 88 V CA 0.252 62.532 62.300 -0.032 0.000 1.045 88 V CB 0.090 31.886 31.823 -0.045 0.000 0.974 88 V HN 0.924 nan 8.190 nan 0.000 0.480 89 F N 5.623 125.526 119.950 -0.078 0.000 2.220 89 F HA 0.301 4.829 4.527 0.002 0.000 0.290 89 F C 0.600 176.376 175.800 -0.040 0.000 1.080 89 F CA 0.705 58.672 58.000 -0.053 0.000 1.318 89 F CB 0.562 39.535 39.000 -0.044 0.000 1.063 89 F HN 0.352 nan 8.300 nan 0.000 0.498 90 L N -0.264 121.012 121.223 0.089 0.000 2.505 90 L HA 0.497 4.839 4.340 0.002 0.000 0.259 90 L C -1.176 175.679 176.870 -0.024 0.000 0.952 90 L CA -0.999 53.824 54.840 -0.029 0.000 0.840 90 L CB 1.075 43.109 42.059 -0.040 0.000 1.358 90 L HN -0.086 nan 8.230 nan 0.000 0.409 91 E N 1.533 121.696 120.200 -0.062 0.000 2.404 91 E HA 0.098 4.449 4.350 0.002 0.000 0.261 91 E C 0.928 177.510 176.600 -0.031 0.000 1.074 91 E CA 0.177 56.549 56.400 -0.048 0.000 0.917 91 E CB 0.587 30.251 29.700 -0.059 0.000 0.965 91 E HN 0.739 nan 8.360 nan 0.000 0.433 92 N N 0.657 119.350 118.700 -0.011 0.000 2.258 92 N HA -0.238 4.504 4.740 0.002 0.000 0.187 92 N C 1.003 176.533 175.510 0.032 0.000 1.012 92 N CA 1.548 54.609 53.050 0.019 0.000 0.870 92 N CB -0.378 38.117 38.487 0.012 0.000 0.977 92 N HN 0.368 nan 8.380 nan 0.000 0.434 93 S N -2.524 113.170 115.700 -0.010 0.000 2.597 93 S HA 0.180 4.651 4.470 0.002 0.000 0.224 93 S C 1.246 175.795 174.600 -0.085 0.000 0.955 93 S CA -0.305 57.883 58.200 -0.019 0.000 0.933 93 S CB -0.479 62.708 63.200 -0.023 0.000 0.788 93 S HN 0.184 nan 8.310 nan 0.000 0.488 94 T N 1.726 116.175 114.554 -0.176 0.000 2.720 94 T HA 0.027 4.379 4.350 0.002 0.000 0.268 94 T C 0.231 174.544 174.700 -0.644 0.000 1.037 94 T CA 1.343 63.162 62.100 -0.469 0.000 1.144 94 T CB -0.408 68.035 68.868 -0.709 0.000 0.864 94 T HN 0.613 nan 8.240 nan 0.000 0.444 95 F N 0.759 120.672 119.950 -0.062 0.000 2.772 95 F HA 0.358 4.887 4.527 0.002 0.000 0.302 95 F C 1.187 177.016 175.800 0.048 0.000 1.136 95 F CA -0.974 57.007 58.000 -0.032 0.000 1.322 95 F CB -0.083 38.826 39.000 -0.151 0.000 0.967 95 F HN -0.071 nan 8.300 nan 0.000 0.513 96 D N 1.426 121.896 120.400 0.116 0.000 2.172 96 D HA -0.200 4.442 4.640 0.002 0.000 0.196 96 D C 1.508 177.868 176.300 0.100 0.000 0.999 96 D CA 1.522 55.576 54.000 0.090 0.000 0.856 96 D CB 0.078 40.899 40.800 0.035 0.000 0.934 96 D HN 0.541 nan 8.370 nan 0.000 0.453 97 E N -0.781 119.486 120.200 0.112 0.000 2.815 97 E HA 0.028 4.379 4.350 0.002 0.000 0.211 97 E C 0.841 177.537 176.600 0.161 0.000 1.004 97 E CA -0.433 56.024 56.400 0.095 0.000 1.173 97 E CB -0.406 29.323 29.700 0.047 0.000 1.163 97 E HN 0.101 nan 8.360 nan 0.000 0.449 98 F N 2.507 122.496 119.950 0.066 0.000 2.202 98 F HA 0.025 4.554 4.527 0.002 0.000 0.301 98 F C 1.704 177.482 175.800 -0.036 0.000 1.082 98 F CA 2.190 60.218 58.000 0.046 0.000 1.313 98 F CB -0.144 38.883 39.000 0.045 0.000 1.024 98 F HN 0.387 nan 8.300 nan 0.000 0.495 99 G N -0.662 108.071 108.800 -0.112 0.000 2.141 99 G HA2 -0.236 3.726 3.960 0.002 0.000 0.242 99 G HA3 -0.236 3.726 3.960 0.002 0.000 0.242 99 G C 0.039 174.648 174.900 -0.485 0.000 0.982 99 G CA 0.274 45.201 45.100 -0.288 0.000 0.662 99 G HN 0.587 nan 8.290 nan 0.000 0.527 100 H N -0.672 118.255 119.070 -0.239 0.000 2.996 100 H HA 0.533 5.091 4.556 0.002 0.000 0.368 100 H C -0.402 174.944 175.328 0.029 0.000 1.185 100 H CA 0.027 55.979 56.048 -0.161 0.000 1.160 100 H CB 1.685 31.197 29.762 -0.417 0.000 1.820 100 H HN 0.197 nan 8.280 nan 0.000 0.547 101 S N 1.963 117.773 115.700 0.183 0.000 2.533 101 S HA 0.236 4.708 4.470 0.002 0.000 0.282 101 S C 0.176 174.838 174.600 0.103 0.000 1.304 101 S CA -0.478 57.793 58.200 0.118 0.000 1.063 101 S CB -0.331 62.919 63.200 0.083 0.000 0.881 101 S HN 0.349 nan 8.310 nan 0.000 0.493 102 I N 5.820 126.390 120.570 -0.000 0.000 2.321 102 I HA 0.250 4.422 4.170 0.002 0.000 0.291 102 I C 1.580 177.597 176.117 -0.167 0.000 0.998 102 I CA -0.259 60.943 61.300 -0.163 0.000 1.227 102 I CB 1.153 38.869 38.000 -0.474 0.000 1.368 102 I HN 0.769 nan 8.210 nan 0.000 0.466 103 N N 3.875 122.479 118.700 -0.161 0.000 2.251 103 N HA -0.051 4.690 4.740 0.002 0.000 0.181 103 N C -0.051 175.360 175.510 -0.164 0.000 1.019 103 N CA 0.983 53.933 53.050 -0.166 0.000 0.862 103 N CB 0.515 38.891 38.487 -0.186 0.000 0.992 103 N HN 0.610 nan 8.380 nan 0.000 0.429 104 D N -1.711 118.569 120.400 -0.200 0.000 2.654 104 D HA 0.280 4.922 4.640 0.002 0.000 0.231 104 D C -1.731 174.476 176.300 -0.155 0.000 1.239 104 D CA -0.397 53.564 54.000 -0.065 0.000 0.790 104 D CB 1.049 41.860 40.800 0.018 0.000 1.480 104 D HN -0.060 nan 8.370 nan 0.000 0.442 105 Y N 0.014 120.324 120.300 0.018 0.000 2.509 105 Y HA 0.632 5.183 4.550 0.002 0.000 0.341 105 Y C 0.251 176.226 175.900 0.126 0.000 1.038 105 Y CA -0.835 57.294 58.100 0.049 0.000 1.089 105 Y CB 2.291 40.767 38.460 0.027 0.000 1.241 105 Y HN 0.146 nan 8.280 nan 0.000 0.468 106 S N 2.101 118.018 115.700 0.361 0.000 2.649 106 S HA 0.610 5.081 4.470 0.002 0.000 0.274 106 S C -1.656 173.277 174.600 0.554 0.000 1.176 106 S CA -0.454 57.983 58.200 0.396 0.000 0.988 106 S CB 0.161 63.574 63.200 0.354 0.000 1.071 106 S HN 0.463 nan 8.310 nan 0.000 0.478 107 I N 4.391 125.168 120.570 0.344 0.000 2.396 107 I HA 0.347 4.518 4.170 0.002 0.000 0.292 107 I C 0.875 176.865 176.117 -0.213 0.000 0.999 107 I CA 0.044 61.448 61.300 0.173 0.000 1.310 107 I CB 1.750 39.809 38.000 0.098 0.000 1.404 107 I HN 0.747 nan 8.210 nan 0.000 0.496 108 S N 6.121 121.385 115.700 -0.727 0.000 2.563 108 S HA 0.152 4.623 4.470 0.002 0.000 0.284 108 S C -1.825 172.493 174.600 -0.470 0.000 1.331 108 S CA -0.751 56.668 58.200 -1.301 0.000 1.047 108 S CB 0.246 62.645 63.200 -1.335 0.000 0.859 108 S HN 0.475 nan 8.310 nan 0.000 0.514 109 P HA -0.086 nan 4.420 nan 0.000 0.221 109 P C 0.788 178.038 177.300 -0.083 0.000 1.145 109 P CA 1.035 64.062 63.100 -0.123 0.000 0.795 109 P CB 0.004 31.651 31.700 -0.087 0.000 0.775 110 D N -0.926 119.407 120.400 -0.112 0.000 2.092 110 D HA -0.104 4.538 4.640 0.002 0.000 0.193 110 D C 1.823 178.116 176.300 -0.011 0.000 0.994 110 D CA 2.202 56.181 54.000 -0.034 0.000 0.828 110 D CB -0.750 40.075 40.800 0.041 0.000 0.963 110 D HN 0.209 nan 8.370 nan 0.000 0.450 111 G N -0.348 108.441 108.800 -0.019 0.000 2.159 111 G HA2 -0.296 3.666 3.960 0.002 0.000 0.227 111 G HA3 -0.296 3.666 3.960 0.002 0.000 0.227 111 G C 0.864 175.762 174.900 -0.004 0.000 0.986 111 G CA 0.533 45.670 45.100 0.062 0.000 0.651 111 G HN 0.401 nan 8.290 nan 0.000 0.523 112 Q N -1.265 118.460 119.800 -0.124 0.000 2.396 112 Q HA 0.467 4.808 4.340 0.002 0.000 0.209 112 Q C -0.094 175.487 176.000 -0.698 0.000 0.906 112 Q CA 0.502 56.051 55.803 -0.423 0.000 0.927 112 Q CB 0.642 29.055 28.738 -0.541 0.000 1.069 112 Q HN 0.512 nan 8.270 nan 0.000 0.523 113 F N 0.254 120.193 119.950 -0.018 0.000 2.569 113 F HA 0.468 4.996 4.527 0.002 0.000 0.312 113 F C -0.645 175.287 175.800 0.221 0.000 1.109 113 F CA -1.203 56.857 58.000 0.099 0.000 0.919 113 F CB 1.464 40.536 39.000 0.120 0.000 1.211 113 F HN -0.213 nan 8.300 nan 0.000 0.446 114 I N 3.731 124.645 120.570 0.574 0.000 2.377 114 I HA 0.411 4.582 4.170 0.002 0.000 0.293 114 I C -0.886 175.567 176.117 0.559 0.000 0.987 114 I CA -0.938 60.694 61.300 0.553 0.000 1.185 114 I CB 1.526 39.819 38.000 0.489 0.000 1.341 114 I HN 0.349 nan 8.210 nan 0.000 0.455 115 L N 7.364 128.922 121.223 0.558 0.000 2.312 115 L HA 0.525 4.867 4.340 0.002 0.000 0.281 115 L C -0.786 176.180 176.870 0.161 0.000 1.070 115 L CA 0.016 55.039 54.840 0.306 0.000 0.805 115 L CB 0.887 43.029 42.059 0.138 0.000 1.174 115 L HN 0.471 nan 8.230 nan 0.000 0.434 116 L N 4.571 125.825 121.223 0.051 0.000 2.333 116 L HA 0.517 4.858 4.340 0.002 0.000 0.280 116 L C -0.383 176.464 176.870 -0.037 0.000 1.004 116 L CA -0.527 54.205 54.840 -0.180 0.000 0.820 116 L CB 1.801 43.541 42.059 -0.532 0.000 1.247 116 L HN 0.588 nan 8.230 nan 0.000 0.416 117 E N 3.425 123.534 120.200 -0.150 0.000 2.134 117 E HA 0.448 4.800 4.350 0.002 0.000 0.278 117 E C -1.626 174.870 176.600 -0.173 0.000 0.959 117 E CA -0.485 55.726 56.400 -0.314 0.000 0.783 117 E CB 1.018 30.621 29.700 -0.162 0.000 1.095 117 E HN 0.438 nan 8.360 nan 0.000 0.399 118 Y N 1.626 121.690 120.300 -0.394 0.000 2.677 118 Y HA 0.437 4.988 4.550 0.002 0.000 0.334 118 Y C -0.252 175.494 175.900 -0.258 0.000 1.154 118 Y CA -1.665 56.284 58.100 -0.251 0.000 1.070 118 Y CB 0.519 38.883 38.460 -0.160 0.000 1.294 118 Y HN 0.462 nan 8.280 nan 0.000 0.475 119 N N -0.017 118.607 118.700 -0.127 0.000 2.725 119 N HA -0.308 4.434 4.740 0.002 0.000 0.251 119 N C -1.023 174.417 175.510 -0.116 0.000 1.031 119 N CA 1.053 54.014 53.050 -0.148 0.000 0.720 119 N CB -1.498 36.814 38.487 -0.292 0.000 0.930 119 N HN 0.868 nan 8.380 nan 0.000 0.543 120 Y N 0.120 120.313 120.300 -0.178 0.000 2.650 120 Y HA 0.245 4.796 4.550 0.002 0.000 0.331 120 Y C 0.016 175.852 175.900 -0.107 0.000 1.165 120 Y CA -0.083 57.908 58.100 -0.181 0.000 1.473 120 Y CB 0.640 38.953 38.460 -0.245 0.000 1.224 120 Y HN 0.018 nan 8.280 nan 0.000 0.533 121 V N 7.923 127.482 119.914 -0.592 0.000 2.409 121 V HA 0.205 4.326 4.120 0.002 0.000 0.290 121 V C -0.199 175.501 176.094 -0.658 0.000 1.017 121 V CA -1.473 60.525 62.300 -0.505 0.000 0.841 121 V CB 1.210 32.891 31.823 -0.236 0.000 1.003 121 V HN 0.722 nan 8.190 nan 0.000 0.426 122 K N 3.451 123.454 120.400 -0.662 0.000 2.448 122 K HA 0.125 4.447 4.320 0.002 0.000 0.278 122 K C 0.440 176.860 176.600 -0.300 0.000 1.009 122 K CA 0.357 56.416 56.287 -0.380 0.000 0.995 122 K CB 0.963 33.425 32.500 -0.063 0.000 0.917 122 K HN 0.823 nan 8.250 nan 0.000 0.481 123 Q N 2.895 122.496 119.800 -0.332 0.000 2.968 123 Q HA 0.159 4.501 4.340 0.002 0.000 0.245 123 Q C 0.081 175.826 176.000 -0.424 0.000 1.136 123 Q CA -0.290 55.126 55.803 -0.645 0.000 0.410 123 Q CB 0.057 28.238 28.738 -0.929 0.000 5.262 123 Q HN 0.688 nan 8.270 nan 0.000 0.356 124 W N 0.211 121.504 121.300 -0.012 0.000 1.763 124 W HA 0.319 4.981 4.660 0.002 0.000 0.619 124 W C 1.855 178.350 176.519 -0.040 0.000 1.755 124 W CA -0.661 56.700 57.345 0.027 0.000 1.933 124 W CB -0.190 29.256 29.460 -0.023 0.000 3.002 124 W HN 0.319 nan 8.180 nan 0.000 0.782 125 R N -0.657 119.916 120.500 0.122 0.000 2.115 125 R HA -0.138 4.203 4.340 0.002 0.000 0.230 125 R C 1.617 177.701 176.300 -0.359 0.000 1.111 125 R CA 1.657 57.637 56.100 -0.201 0.000 0.976 125 R CB -0.298 29.726 30.300 -0.461 0.000 0.870 125 R HN 0.508 nan 8.270 nan 0.000 0.445 126 H N -1.655 117.489 119.070 0.124 0.000 2.926 126 H HA 0.153 4.711 4.556 0.003 0.000 0.249 126 H C 0.553 175.949 175.328 0.113 0.000 0.963 126 H CA 0.408 56.540 56.048 0.141 0.000 1.158 126 H CB 0.160 29.974 29.762 0.087 0.000 1.445 126 H HN 0.101 nan 8.280 nan 0.000 0.452 127 S N 1.638 117.316 115.700 -0.037 0.000 2.576 127 S HA 0.352 4.823 4.470 0.002 0.000 0.276 127 S C -0.262 174.200 174.600 -0.230 0.000 1.339 127 S CA -0.427 57.447 58.200 -0.542 0.000 1.039 127 S CB 0.516 62.862 63.200 -1.424 0.000 0.902 127 S HN 0.444 nan 8.310 nan 0.000 0.516 128 Y N -2.214 117.958 120.300 -0.213 0.000 2.702 128 Y HA 0.666 5.217 4.550 0.003 0.000 0.336 128 Y C -0.765 175.130 175.900 -0.008 0.000 1.203 128 Y CA -0.986 56.998 58.100 -0.194 0.000 1.072 128 Y CB 0.485 38.799 38.460 -0.243 0.000 1.327 128 Y HN 0.848 nan 8.280 nan 0.000 0.456 129 T N -0.007 114.628 114.554 0.135 0.000 2.918 129 T HA 1.007 5.358 4.350 0.002 0.000 0.286 129 T C -0.429 174.352 174.700 0.136 0.000 1.026 129 T CA -0.111 62.077 62.100 0.146 0.000 1.031 129 T CB 1.743 70.634 68.868 0.038 0.000 1.046 129 T HN 1.743 nan 8.240 nan 0.000 0.479 130 A N 1.052 123.914 122.820 0.069 0.000 2.599 130 A HA 0.781 5.103 4.320 0.002 0.000 0.290 130 A C -0.483 176.846 177.584 -0.426 0.000 1.101 130 A CA -0.980 50.920 52.037 -0.228 0.000 0.674 130 A CB 1.255 20.045 19.000 -0.350 0.000 1.277 130 A HN 0.814 nan 8.150 nan 0.000 0.419 131 S N -0.414 114.817 115.700 -0.781 0.000 2.578 131 S HA 0.710 5.182 4.470 0.002 0.000 0.283 131 S C -1.491 172.401 174.600 -1.180 0.000 1.195 131 S CA 0.018 57.650 58.200 -0.947 0.000 1.050 131 S CB 0.450 62.801 63.200 -1.414 0.000 1.012 131 S HN 0.414 nan 8.310 nan 0.000 0.511 132 Y N 0.728 120.776 120.300 -0.420 0.000 2.391 132 Y HA 0.435 4.986 4.550 0.003 0.000 0.341 132 Y C -0.096 175.831 175.900 0.045 0.000 0.965 132 Y CA -0.911 57.092 58.100 -0.162 0.000 1.067 132 Y CB 1.506 39.822 38.460 -0.240 0.000 1.199 132 Y HN 0.492 nan 8.280 nan 0.000 0.450 133 D N 3.052 123.660 120.400 0.347 0.000 2.342 133 D HA 0.545 5.186 4.640 0.002 0.000 0.243 133 D C -0.803 175.595 176.300 0.163 0.000 1.019 133 D CA -0.354 53.801 54.000 0.258 0.000 0.864 133 D CB 2.509 43.528 40.800 0.365 0.000 1.315 133 D HN 0.391 nan 8.370 nan 0.000 0.468 134 I N 1.776 122.449 120.570 0.171 0.000 2.378 134 I HA 0.255 4.427 4.170 0.002 0.000 0.291 134 I C -0.837 175.490 176.117 0.351 0.000 0.992 134 I CA -0.964 60.481 61.300 0.243 0.000 1.154 134 I CB 1.327 39.427 38.000 0.166 0.000 1.315 134 I HN 0.215 nan 8.210 nan 0.000 0.448 135 Y N 5.380 125.852 120.300 0.286 0.000 2.352 135 Y HA 0.336 4.888 4.550 0.003 0.000 0.339 135 Y C -0.214 175.872 175.900 0.310 0.000 0.992 135 Y CA -0.711 57.561 58.100 0.287 0.000 1.100 135 Y CB 1.219 39.880 38.460 0.334 0.000 1.192 135 Y HN 0.501 nan 8.280 nan 0.000 0.458 136 D N 6.028 126.325 120.400 -0.172 0.000 2.339 136 D HA 0.075 4.716 4.640 0.002 0.000 0.256 136 D C 0.729 176.750 176.300 -0.466 0.000 1.214 136 D CA 0.456 54.299 54.000 -0.261 0.000 0.877 136 D CB 1.099 41.771 40.800 -0.213 0.000 1.111 136 D HN 0.884 nan 8.370 nan 0.000 0.478 137 L N 3.971 125.023 121.223 -0.285 0.000 2.056 137 L HA -0.170 4.171 4.340 0.002 0.000 0.207 137 L C 2.104 178.841 176.870 -0.223 0.000 1.078 137 L CA 0.644 55.390 54.840 -0.157 0.000 0.749 137 L CB -0.241 41.761 42.059 -0.096 0.000 0.901 137 L HN 0.387 nan 8.230 nan 0.000 0.433 138 N N 0.730 119.268 118.700 -0.269 0.000 2.028 138 N HA -0.186 4.556 4.740 0.002 0.000 0.194 138 N C 1.621 177.015 175.510 -0.193 0.000 1.050 138 N CA 1.471 54.394 53.050 -0.211 0.000 0.848 138 N CB -0.338 38.027 38.487 -0.204 0.000 1.038 138 N HN 0.300 nan 8.380 nan 0.000 0.423 139 K N 0.949 121.220 120.400 -0.216 0.000 2.504 139 K HA 0.127 4.448 4.320 0.002 0.000 0.195 139 K C -0.182 176.286 176.600 -0.220 0.000 1.036 139 K CA -0.001 56.178 56.287 -0.181 0.000 0.984 139 K CB 0.095 32.504 32.500 -0.150 0.000 0.788 139 K HN 0.180 nan 8.250 nan 0.000 0.488 140 R N 0.981 121.289 120.500 -0.320 0.000 3.322 140 R HA -0.217 4.125 4.340 0.002 0.000 0.253 140 R C -0.597 175.436 176.300 -0.444 0.000 0.987 140 R CA 0.479 56.353 56.100 -0.375 0.000 0.666 140 R CB -1.882 28.361 30.300 -0.094 0.000 1.072 140 R HN 0.300 nan 8.270 nan 0.000 0.447 141 Q N 0.120 119.521 119.800 -0.665 0.000 2.372 141 Q HA 0.511 4.852 4.340 0.002 0.000 0.273 141 Q C -0.588 175.259 176.000 -0.254 0.000 1.078 141 Q CA -0.697 54.923 55.803 -0.305 0.000 0.806 141 Q CB 1.738 30.383 28.738 -0.155 0.000 1.332 141 Q HN 0.288 nan 8.270 nan 0.000 0.435 142 L N 3.444 124.721 121.223 0.089 0.000 2.461 142 L HA 0.271 4.613 4.340 0.002 0.000 0.272 142 L C -0.238 176.705 176.870 0.122 0.000 1.197 142 L CA -0.016 54.957 54.840 0.222 0.000 0.836 142 L CB 0.454 42.697 42.059 0.307 0.000 1.105 142 L HN 0.608 nan 8.230 nan 0.000 0.477 143 I N 1.629 122.284 120.570 0.141 0.000 2.342 143 I HA 0.097 4.268 4.170 0.002 0.000 0.291 143 I C 1.044 177.212 176.117 0.085 0.000 1.010 143 I CA 0.039 61.397 61.300 0.096 0.000 1.308 143 I CB 1.609 39.666 38.000 0.094 0.000 1.400 143 I HN 0.711 nan 8.210 nan 0.000 0.488 144 T N 0.454 115.041 114.554 0.056 0.000 2.971 144 T HA 0.144 4.495 4.350 0.002 0.000 0.252 144 T C 0.456 175.163 174.700 0.011 0.000 1.022 144 T CA -0.350 61.775 62.100 0.043 0.000 0.980 144 T CB 0.016 68.908 68.868 0.040 0.000 1.044 144 T HN 0.582 nan 8.240 nan 0.000 0.501 145 E N 2.040 122.241 120.200 0.002 0.000 2.277 145 E HA 0.207 4.559 4.350 0.002 0.000 0.274 145 E C -0.648 175.928 176.600 -0.040 0.000 1.022 145 E CA -0.600 55.788 56.400 -0.019 0.000 0.853 145 E CB 0.692 30.384 29.700 -0.014 0.000 1.086 145 E HN 0.170 nan 8.360 nan 0.000 0.397 146 E N 0.934 121.097 120.200 -0.061 0.000 2.183 146 E HA -0.248 4.104 4.350 0.002 0.000 0.196 146 E C -0.293 176.236 176.600 -0.119 0.000 1.364 146 E CA 0.813 57.158 56.400 -0.091 0.000 0.700 146 E CB -1.561 28.091 29.700 -0.079 0.000 1.106 146 E HN 0.637 nan 8.360 nan 0.000 0.347 147 R N -0.409 120.014 120.500 -0.128 0.000 2.641 147 R HA 0.494 4.835 4.340 0.002 0.000 0.269 147 R C 0.853 176.971 176.300 -0.304 0.000 1.074 147 R CA -0.722 55.282 56.100 -0.160 0.000 1.133 147 R CB 0.530 30.775 30.300 -0.092 0.000 1.029 147 R HN 0.036 nan 8.270 nan 0.000 0.488 148 I N 2.680 123.009 120.570 -0.402 0.000 2.826 148 I HA -0.033 4.138 4.170 0.002 0.000 0.295 148 I C -1.704 174.077 176.117 -0.560 0.000 1.213 148 I CA -1.240 59.637 61.300 -0.705 0.000 1.436 148 I CB 0.036 37.621 38.000 -0.691 0.000 1.348 148 I HN 0.468 nan 8.210 nan 0.000 0.570 149 P HA 0.093 nan 4.420 nan 0.000 0.272 149 P C -0.844 176.239 177.300 -0.362 0.000 1.240 149 P CA -0.388 62.321 63.100 -0.652 0.000 0.791 149 P CB 0.372 31.276 31.700 -1.326 0.000 0.978 150 N N 1.855 120.425 118.700 -0.217 0.000 2.415 150 N HA 0.021 4.762 4.740 0.002 0.000 0.248 150 N C 0.399 175.963 175.510 0.089 0.000 1.271 150 N CA 0.370 53.355 53.050 -0.108 0.000 0.913 150 N CB -0.640 37.795 38.487 -0.086 0.000 1.129 150 N HN 0.392 nan 8.380 nan 0.000 0.444 151 N N -1.897 116.841 118.700 0.063 0.000 2.776 151 N HA -0.160 4.582 4.740 0.002 0.000 0.249 151 N C -0.924 174.746 175.510 0.267 0.000 1.111 151 N CA 0.686 53.818 53.050 0.137 0.000 0.711 151 N CB -1.997 36.578 38.487 0.147 0.000 1.065 151 N HN 0.485 nan 8.380 nan 0.000 0.556 152 T N 0.724 115.432 114.554 0.256 0.000 2.919 152 T HA 0.140 4.492 4.350 0.002 0.000 0.302 152 T C 1.712 176.569 174.700 0.262 0.000 1.031 152 T CA 0.097 62.373 62.100 0.293 0.000 1.127 152 T CB 1.480 70.438 68.868 0.148 0.000 0.952 152 T HN 0.173 nan 8.240 nan 0.000 0.540 153 Q N 1.353 121.297 119.800 0.240 0.000 2.200 153 Q HA 0.179 4.520 4.340 0.002 0.000 0.197 153 Q C 0.170 176.342 176.000 0.286 0.000 0.953 153 Q CA 0.434 56.400 55.803 0.272 0.000 0.851 153 Q CB 0.754 29.610 28.738 0.195 0.000 0.938 153 Q HN 0.702 nan 8.270 nan 0.000 0.488 154 W N 0.302 121.556 121.300 -0.076 0.000 3.127 154 W HA 0.543 5.205 4.660 0.002 0.000 0.330 154 W C -2.044 174.380 176.519 -0.158 0.000 1.187 154 W CA -0.704 56.553 57.345 -0.148 0.000 1.198 154 W CB 1.612 30.928 29.460 -0.239 0.000 1.408 154 W HN -0.321 nan 8.180 nan 0.000 0.529 155 V N 3.351 122.510 119.914 -1.258 0.000 2.686 155 V HA 0.556 4.678 4.120 0.002 0.000 0.306 155 V C -0.475 174.925 176.094 -1.157 0.000 1.065 155 V CA -0.582 61.099 62.300 -1.032 0.000 0.894 155 V CB 1.695 32.786 31.823 -1.220 0.000 1.004 155 V HN 0.496 nan 8.190 nan 0.000 0.424 156 T N 3.566 117.788 114.554 -0.553 0.000 3.032 156 T HA 0.505 4.857 4.350 0.002 0.000 0.312 156 T C -1.102 173.648 174.700 0.084 0.000 1.078 156 T CA -0.311 61.676 62.100 -0.188 0.000 1.028 156 T CB 0.708 69.694 68.868 0.196 0.000 1.091 156 T HN 0.515 nan 8.240 nan 0.000 0.457 157 W N 3.339 124.699 121.300 0.100 0.000 2.123 157 W HA 0.372 5.034 4.660 0.002 0.000 0.351 157 W C 1.327 177.786 176.519 -0.099 0.000 1.292 157 W CA -0.631 56.738 57.345 0.041 0.000 1.263 157 W CB 0.504 29.969 29.460 0.009 0.000 1.165 157 W HN 0.777 nan 8.180 nan 0.000 0.590 158 S N 1.499 116.990 115.700 -0.349 0.000 2.593 158 S HA 0.164 4.636 4.470 0.002 0.000 0.269 158 S C -1.688 172.655 174.600 -0.429 0.000 1.334 158 S CA -1.061 56.370 58.200 -1.281 0.000 1.015 158 S CB 0.959 63.166 63.200 -1.655 0.000 0.912 158 S HN 0.326 nan 8.310 nan 0.000 0.541 159 P HA 0.038 nan 4.420 nan 0.000 0.233 159 P C 1.239 178.485 177.300 -0.090 0.000 1.167 159 P CA 0.477 63.532 63.100 -0.075 0.000 0.770 159 P CB -0.267 31.439 31.700 0.011 0.000 0.837 160 V N -4.545 115.266 119.914 -0.171 0.000 2.948 160 V HA 0.466 4.587 4.120 0.002 0.000 0.234 160 V C 1.677 177.670 176.094 -0.169 0.000 1.205 160 V CA 0.992 63.211 62.300 -0.136 0.000 1.234 160 V CB -1.010 30.742 31.823 -0.118 0.000 1.020 160 V HN 0.066 nan 8.190 nan 0.000 0.491 161 G N 1.096 109.749 108.800 -0.245 0.000 3.226 161 G HA2 0.290 4.251 3.960 0.002 0.000 0.190 161 G HA3 0.290 4.251 3.960 0.002 0.000 0.190 161 G C 0.746 175.503 174.900 -0.238 0.000 1.988 161 G CA 0.564 45.482 45.100 -0.303 0.000 0.859 161 G HN 0.899 nan 8.290 nan 0.000 0.631 162 H N -0.974 118.071 119.070 -0.042 0.000 3.192 162 H HA 0.359 4.916 4.556 0.002 0.000 0.247 162 H C -0.436 175.023 175.328 0.218 0.000 1.203 162 H CA -0.496 55.571 56.048 0.033 0.000 0.973 162 H CB -0.187 29.617 29.762 0.071 0.000 2.500 162 H HN 0.147 nan 8.280 nan 0.000 0.678 163 K N 1.936 122.425 120.400 0.148 0.000 2.382 163 K HA 0.360 4.681 4.320 0.002 0.000 0.275 163 K C -0.434 176.336 176.600 0.283 0.000 1.009 163 K CA -0.163 56.212 56.287 0.146 0.000 0.970 163 K CB 1.637 34.055 32.500 -0.136 0.000 0.934 163 K HN 0.148 nan 8.250 nan 0.000 0.479 164 L N 1.701 123.099 121.223 0.292 0.000 2.346 164 L HA 0.552 4.894 4.340 0.002 0.000 0.274 164 L C -0.613 176.471 176.870 0.356 0.000 1.007 164 L CA -0.737 54.228 54.840 0.208 0.000 0.818 164 L CB 1.986 44.016 42.059 -0.049 0.000 1.284 164 L HN 0.686 nan 8.230 nan 0.000 0.424 165 A N 2.828 125.836 122.820 0.314 0.000 2.343 165 A HA 0.764 5.086 4.320 0.002 0.000 0.308 165 A C -1.477 176.102 177.584 -0.009 0.000 1.092 165 A CA -0.387 51.693 52.037 0.072 0.000 0.751 165 A CB 0.930 19.845 19.000 -0.142 0.000 1.203 165 A HN 0.633 nan 8.150 nan 0.000 0.452 166 Y N -0.159 120.084 120.300 -0.095 0.000 2.609 166 Y HA 0.813 5.364 4.550 0.003 0.000 0.342 166 Y C -1.155 174.738 175.900 -0.011 0.000 1.058 166 Y CA -1.716 56.299 58.100 -0.142 0.000 1.055 166 Y CB 1.270 39.575 38.460 -0.257 0.000 1.292 166 Y HN 0.375 nan 8.280 nan 0.000 0.476 167 V N 2.033 122.065 119.914 0.196 0.000 2.487 167 V HA 0.371 4.492 4.120 0.002 0.000 0.298 167 V C -1.565 174.718 176.094 0.314 0.000 1.028 167 V CA -0.673 61.727 62.300 0.166 0.000 0.860 167 V CB 1.369 33.208 31.823 0.025 0.000 0.991 167 V HN 0.887 nan 8.190 nan 0.000 0.427 168 W N 4.978 126.342 121.300 0.106 0.000 3.042 168 W HA 0.462 5.124 4.660 0.002 0.000 0.337 168 W C 0.313 176.869 176.519 0.061 0.000 1.086 168 W CA -0.690 56.681 57.345 0.044 0.000 1.236 168 W CB 1.272 30.689 29.460 -0.072 0.000 1.381 168 W HN 0.783 nan 8.180 nan 0.000 0.472 169 N N 5.703 124.022 118.700 -0.634 0.000 2.710 169 N HA -0.366 4.375 4.740 0.002 0.000 0.249 169 N C 0.162 175.505 175.510 -0.279 0.000 1.059 169 N CA 1.134 53.832 53.050 -0.588 0.000 0.720 169 N CB -0.995 36.920 38.487 -0.953 0.000 0.983 169 N HN 0.835 nan 8.380 nan 0.000 0.544 170 N N -1.860 116.748 118.700 -0.154 0.000 2.925 170 N HA -0.145 4.596 4.740 0.002 0.000 0.244 170 N C -1.361 174.085 175.510 -0.108 0.000 1.000 170 N CA 1.012 53.989 53.050 -0.122 0.000 0.895 170 N CB -0.373 37.995 38.487 -0.197 0.000 1.119 170 N HN 0.416 nan 8.380 nan 0.000 0.569 171 D N 0.631 120.992 120.400 -0.064 0.000 2.433 171 D HA 0.505 5.146 4.640 0.002 0.000 0.236 171 D C 0.155 176.379 176.300 -0.127 0.000 1.026 171 D CA -0.337 53.567 54.000 -0.161 0.000 0.884 171 D CB 1.763 42.416 40.800 -0.245 0.000 1.384 171 D HN 0.026 nan 8.370 nan 0.000 0.477 172 I N 1.647 121.969 120.570 -0.413 0.000 2.396 172 I HA 0.227 4.398 4.170 0.002 0.000 0.292 172 I C -0.750 175.017 176.117 -0.583 0.000 0.999 172 I CA -0.428 60.620 61.300 -0.420 0.000 1.310 172 I CB 0.550 38.187 38.000 -0.605 0.000 1.404 172 I HN 0.153 nan 8.210 nan 0.000 0.496 173 Y N 4.203 124.115 120.300 -0.648 0.000 2.545 173 Y HA 0.658 5.210 4.550 0.003 0.000 0.348 173 Y C -0.344 175.211 175.900 -0.576 0.000 1.002 173 Y CA -1.124 56.563 58.100 -0.689 0.000 1.039 173 Y CB 1.807 39.642 38.460 -1.042 0.000 1.271 173 Y HN 0.087 nan 8.280 nan 0.000 0.467 174 V N 2.408 122.266 119.914 -0.094 0.000 2.588 174 V HA 0.445 4.566 4.120 0.002 0.000 0.304 174 V C -0.782 175.457 176.094 0.241 0.000 1.042 174 V CA -1.389 60.959 62.300 0.082 0.000 0.877 174 V CB 1.961 33.854 31.823 0.118 0.000 0.996 174 V HN 0.612 nan 8.190 nan 0.000 0.425 175 K N 4.467 125.013 120.400 0.243 0.000 2.367 175 K HA 0.471 4.792 4.320 0.002 0.000 0.263 175 K C 0.514 177.268 176.600 0.257 0.000 1.000 175 K CA -0.716 55.708 56.287 0.227 0.000 0.891 175 K CB 1.645 34.234 32.500 0.148 0.000 1.117 175 K HN 0.453 nan 8.250 nan 0.000 0.443 176 I N 1.308 122.059 120.570 0.302 0.000 2.226 176 I HA -0.158 4.014 4.170 0.002 0.000 0.245 176 I C 0.556 176.812 176.117 0.232 0.000 1.100 176 I CA 1.656 63.105 61.300 0.247 0.000 1.374 176 I CB -0.388 37.760 38.000 0.247 0.000 1.057 176 I HN 0.557 nan 8.210 nan 0.000 0.413 177 E N -0.153 120.144 120.200 0.163 0.000 2.293 177 E HA 0.264 4.616 4.350 0.002 0.000 0.270 177 E C -1.955 174.604 176.600 -0.069 0.000 0.879 177 E CA -1.905 54.529 56.400 0.056 0.000 0.756 177 E CB 1.861 31.591 29.700 0.050 0.000 1.208 177 E HN -0.158 nan 8.360 nan 0.000 0.428 178 P HA -0.210 nan 4.420 nan 0.000 0.218 178 P C 0.792 178.012 177.300 -0.133 0.000 1.146 178 P CA 1.501 64.438 63.100 -0.272 0.000 0.820 178 P CB 0.247 31.586 31.700 -0.602 0.000 0.778 179 N N -2.409 116.235 118.700 -0.092 0.000 2.205 179 N HA 0.029 4.770 4.740 0.002 0.000 0.201 179 N C -0.019 175.471 175.510 -0.034 0.000 1.128 179 N CA 0.196 53.220 53.050 -0.043 0.000 0.867 179 N CB -0.115 38.366 38.487 -0.011 0.000 0.996 179 N HN 0.042 nan 8.380 nan 0.000 0.503 180 L N 2.410 123.615 121.223 -0.030 0.000 2.334 180 L HA 0.532 4.874 4.340 0.002 0.000 0.277 180 L C -2.039 174.784 176.870 -0.078 0.000 1.075 180 L CA -2.403 52.416 54.840 -0.035 0.000 0.804 180 L CB 0.617 42.678 42.059 0.003 0.000 1.174 180 L HN -0.085 nan 8.230 nan 0.000 0.438 181 P HA -0.035 nan 4.420 nan 0.000 0.267 181 P C -0.618 176.530 177.300 -0.253 0.000 1.175 181 P CA 0.171 63.170 63.100 -0.168 0.000 0.763 181 P CB 0.197 31.781 31.700 -0.193 0.000 0.795 182 S N 1.560 117.172 115.700 -0.146 0.000 2.565 182 S HA 0.285 4.757 4.470 0.002 0.000 0.274 182 S C -0.268 174.201 174.600 -0.218 0.000 1.309 182 S CA -0.252 57.901 58.200 -0.077 0.000 1.043 182 S CB -0.086 63.200 63.200 0.143 0.000 0.939 182 S HN 0.229 nan 8.310 nan 0.000 0.504 183 Y N 0.992 121.307 120.300 0.025 0.000 2.316 183 Y HA 0.356 4.908 4.550 0.002 0.000 0.331 183 Y C 1.018 176.815 175.900 -0.172 0.000 1.083 183 Y CA -0.658 57.425 58.100 -0.029 0.000 1.206 183 Y CB 0.566 39.017 38.460 -0.016 0.000 1.195 183 Y HN 0.404 nan 8.280 nan 0.000 0.497 184 R N 3.934 124.329 120.500 -0.176 0.000 2.210 184 R HA 0.189 4.530 4.340 0.002 0.000 0.338 184 R C 0.318 176.303 176.300 -0.525 0.000 1.062 184 R CA -0.116 55.559 56.100 -0.709 0.000 0.902 184 R CB 0.435 30.070 30.300 -1.108 0.000 1.050 184 R HN 0.790 nan 8.270 nan 0.000 0.461 185 I N 1.693 121.928 120.570 -0.559 0.000 2.500 185 I HA -0.041 4.131 4.170 0.002 0.000 0.252 185 I C 0.979 176.868 176.117 -0.379 0.000 1.142 185 I CA 1.141 62.224 61.300 -0.362 0.000 1.451 185 I CB -0.375 37.398 38.000 -0.378 0.000 1.093 185 I HN 0.392 nan 8.210 nan 0.000 0.430 186 T N -1.221 112.956 114.554 -0.630 0.000 2.912 186 T HA 0.329 4.680 4.350 0.002 0.000 0.299 186 T C -0.804 173.534 174.700 -0.604 0.000 1.052 186 T CA -0.343 61.468 62.100 -0.481 0.000 0.996 186 T CB 1.471 70.039 68.868 -0.500 0.000 1.070 186 T HN 0.132 nan 8.240 nan 0.000 0.465 187 W N 1.034 122.216 121.300 -0.196 0.000 2.534 187 W HA 0.185 4.846 4.660 0.003 0.000 0.339 187 W C 1.907 178.368 176.519 -0.097 0.000 0.961 187 W CA -0.305 56.960 57.345 -0.133 0.000 1.545 187 W CB 0.312 29.712 29.460 -0.100 0.000 1.104 187 W HN 0.746 nan 8.180 nan 0.000 0.538 188 T N -2.981 111.607 114.554 0.056 0.000 3.044 188 T HA 0.264 4.615 4.350 0.002 0.000 0.250 188 T C 1.351 176.050 174.700 -0.002 0.000 1.081 188 T CA 0.282 62.407 62.100 0.041 0.000 1.040 188 T CB -0.259 68.632 68.868 0.039 0.000 0.962 188 T HN -0.014 nan 8.240 nan 0.000 0.506 189 G N 1.433 110.203 108.800 -0.051 0.000 2.287 189 G HA2 0.320 4.282 3.960 0.002 0.000 0.235 189 G HA3 0.320 4.282 3.960 0.002 0.000 0.235 189 G C -0.564 174.277 174.900 -0.099 0.000 1.258 189 G CA -0.291 44.755 45.100 -0.090 0.000 0.884 189 G HN 0.621 nan 8.290 nan 0.000 0.518 190 K N 1.643 121.960 120.400 -0.139 0.000 2.588 190 K HA 0.196 4.518 4.320 0.002 0.000 0.250 190 K C -0.147 176.329 176.600 -0.207 0.000 0.972 190 K CA -0.632 55.575 56.287 -0.132 0.000 0.821 190 K CB 1.385 33.844 32.500 -0.067 0.000 1.249 190 K HN 0.563 nan 8.250 nan 0.000 0.442 191 E N 3.291 123.378 120.200 -0.187 0.000 2.694 191 E HA -0.159 4.192 4.350 0.002 0.000 0.250 191 E C -0.548 175.963 176.600 -0.149 0.000 0.963 191 E CA 1.182 57.469 56.400 -0.188 0.000 0.949 191 E CB 0.214 29.840 29.700 -0.123 0.000 0.911 191 E HN 0.706 nan 8.360 nan 0.000 0.500 192 D N 2.307 122.596 120.400 -0.186 0.000 2.946 192 D HA -0.239 4.402 4.640 0.002 0.000 0.202 192 D C 0.598 176.933 176.300 0.059 0.000 1.068 192 D CA 1.339 55.348 54.000 0.015 0.000 1.011 192 D CB -0.507 40.344 40.800 0.085 0.000 1.105 192 D HN 0.413 nan 8.370 nan 0.000 0.425 193 I N -0.817 119.694 120.570 -0.099 0.000 3.674 193 I HA 0.180 4.352 4.170 0.002 0.000 0.248 193 I C 0.836 177.026 176.117 0.122 0.000 1.134 193 I CA 0.280 61.617 61.300 0.062 0.000 1.519 193 I CB -0.096 37.924 38.000 0.033 0.000 1.598 193 I HN -0.177 nan 8.210 nan 0.000 0.442 194 I N 1.004 121.563 120.570 -0.017 0.000 2.378 194 I HA 0.227 4.399 4.170 0.002 0.000 0.291 194 I C -1.297 174.802 176.117 -0.031 0.000 0.992 194 I CA -0.263 61.091 61.300 0.090 0.000 1.154 194 I CB 1.255 39.298 38.000 0.071 0.000 1.315 194 I HN -0.020 nan 8.210 nan 0.000 0.448 195 Y N 5.110 125.495 120.300 0.142 0.000 2.328 195 Y HA 0.456 5.007 4.550 0.002 0.000 0.333 195 Y C 0.008 175.969 175.900 0.102 0.000 0.958 195 Y CA -0.976 57.201 58.100 0.129 0.000 1.167 195 Y CB 0.921 39.516 38.460 0.226 0.000 1.151 195 Y HN 0.434 nan 8.280 nan 0.000 0.470 196 N N 2.205 120.969 118.700 0.106 0.000 2.425 196 N HA 0.353 5.095 4.740 0.002 0.000 0.268 196 N C 0.840 176.292 175.510 -0.096 0.000 0.991 196 N CA 0.426 53.468 53.050 -0.013 0.000 0.931 196 N CB 1.851 40.217 38.487 -0.202 0.000 1.130 196 N HN 1.002 nan 8.380 nan 0.000 0.493 197 G N 1.601 110.369 108.800 -0.054 0.000 2.179 197 G HA2 -0.254 3.707 3.960 0.002 0.000 0.260 197 G HA3 -0.254 3.707 3.960 0.002 0.000 0.260 197 G C 0.067 174.836 174.900 -0.217 0.000 0.977 197 G CA 0.579 45.583 45.100 -0.160 0.000 0.641 197 G HN 0.669 nan 8.290 nan 0.000 0.533 198 I N -1.486 119.008 120.570 -0.126 0.000 2.769 198 I HA 0.750 4.921 4.170 0.002 0.000 0.298 198 I C 0.420 176.523 176.117 -0.024 0.000 1.128 198 I CA -0.710 60.404 61.300 -0.310 0.000 1.031 198 I CB 1.914 39.509 38.000 -0.676 0.000 1.235 198 I HN 0.154 nan 8.210 nan 0.000 0.423 199 T N -0.019 114.462 114.554 -0.123 0.000 2.868 199 T HA 0.291 4.643 4.350 0.002 0.000 0.292 199 T C -0.081 174.410 174.700 -0.348 0.000 1.028 199 T CA -0.577 61.327 62.100 -0.327 0.000 1.059 199 T CB 0.924 69.700 68.868 -0.153 0.000 0.991 199 T HN 0.767 nan 8.240 nan 0.000 0.531 200 D N 0.100 120.059 120.400 -0.735 0.000 2.478 200 D HA 0.039 4.680 4.640 0.002 0.000 0.269 200 D C 0.993 177.242 176.300 -0.086 0.000 1.232 200 D CA -1.142 52.484 54.000 -0.623 0.000 1.059 200 D CB -0.026 40.345 40.800 -0.715 0.000 1.104 200 D HN 0.713 nan 8.370 nan 0.000 0.566 201 W N 0.007 121.271 121.300 -0.059 0.000 2.318 201 W HA -0.232 4.429 4.660 0.002 0.000 0.313 201 W C 2.085 178.514 176.519 -0.151 0.000 1.221 201 W CA 2.447 59.737 57.345 -0.091 0.000 1.266 201 W CB -0.346 28.992 29.460 -0.203 0.000 1.150 201 W HN 0.190 nan 8.180 nan 0.000 0.496 202 V N -0.446 119.540 119.914 0.120 0.000 2.488 202 V HA -0.238 3.883 4.120 0.002 0.000 0.246 202 V C 1.807 177.761 176.094 -0.233 0.000 1.046 202 V CA 1.789 64.065 62.300 -0.040 0.000 1.053 202 V CB -0.684 31.136 31.823 -0.004 0.000 0.679 202 V HN 0.266 nan 8.190 nan 0.000 0.458 203 Y N 0.798 120.938 120.300 -0.266 0.000 2.242 203 Y HA -0.163 4.388 4.550 0.002 0.000 0.291 203 Y C 2.568 178.374 175.900 -0.156 0.000 1.137 203 Y CA 2.101 60.050 58.100 -0.251 0.000 1.181 203 Y CB -0.094 38.107 38.460 -0.433 0.000 0.989 203 Y HN 0.386 nan 8.280 nan 0.000 0.527 204 E N 0.381 120.558 120.200 -0.039 0.000 2.058 204 E HA -0.312 4.040 4.350 0.002 0.000 0.194 204 E C 1.995 178.552 176.600 -0.071 0.000 0.997 204 E CA 1.721 58.117 56.400 -0.006 0.000 0.801 204 E CB -0.005 29.692 29.700 -0.005 0.000 0.746 204 E HN 0.463 nan 8.360 nan 0.000 0.450 205 E N -0.215 119.758 120.200 -0.379 0.000 2.122 205 E HA -0.119 4.233 4.350 0.002 0.000 0.190 205 E C 1.683 178.160 176.600 -0.205 0.000 0.977 205 E CA 1.235 57.392 56.400 -0.405 0.000 0.820 205 E CB 0.230 29.335 29.700 -0.992 0.000 0.770 205 E HN 0.178 nan 8.360 nan 0.000 0.462 206 E N -0.518 119.535 120.200 -0.244 0.000 2.330 206 E HA 0.053 4.404 4.350 0.002 0.000 0.200 206 E C 1.832 178.284 176.600 -0.247 0.000 0.922 206 E CA 0.835 57.127 56.400 -0.181 0.000 0.935 206 E CB 0.641 30.220 29.700 -0.203 0.000 0.917 206 E HN 0.265 nan 8.360 nan 0.000 0.491 207 V N -0.909 118.794 119.914 -0.352 0.000 2.599 207 V HA 0.072 4.193 4.120 0.002 0.000 0.237 207 V C 1.343 177.211 176.094 -0.377 0.000 1.081 207 V CA 0.656 62.673 62.300 -0.471 0.000 1.107 207 V CB -0.235 31.114 31.823 -0.789 0.000 0.808 207 V HN 0.013 nan 8.190 nan 0.000 0.486 208 F N 1.540 121.498 119.950 0.012 0.000 2.754 208 F HA 0.387 4.916 4.527 0.002 0.000 0.297 208 F C 1.689 177.453 175.800 -0.059 0.000 1.122 208 F CA 0.684 58.709 58.000 0.042 0.000 1.400 208 F CB -0.396 38.678 39.000 0.124 0.000 1.117 208 F HN 0.215 nan 8.300 nan 0.000 0.587 209 S N 0.304 116.018 115.700 0.023 0.000 3.521 209 S HA -0.035 4.437 4.470 0.002 0.000 0.362 209 S C 0.147 174.365 174.600 -0.638 0.000 1.044 209 S CA 0.437 58.519 58.200 -0.196 0.000 1.091 209 S CB -1.753 61.380 63.200 -0.112 0.000 0.908 209 S HN 0.649 nan 8.310 nan 0.000 0.473 210 A N -0.720 121.926 122.820 -0.290 0.000 2.586 210 A HA 0.713 5.034 4.320 0.002 0.000 0.290 210 A C -0.221 177.328 177.584 -0.058 0.000 1.086 210 A CA -0.506 51.356 52.037 -0.291 0.000 0.665 210 A CB 0.182 19.000 19.000 -0.304 0.000 1.279 210 A HN 0.238 nan 8.150 nan 0.000 0.423 211 Y N 1.173 121.306 120.300 -0.279 0.000 2.420 211 Y HA 0.153 4.705 4.550 0.003 0.000 0.292 211 Y C 1.693 177.305 175.900 -0.480 0.000 1.119 211 Y CA 1.038 58.980 58.100 -0.264 0.000 1.229 211 Y CB -0.030 38.310 38.460 -0.200 0.000 1.026 211 Y HN 0.702 nan 8.280 nan 0.000 0.554 212 S N 0.844 116.032 115.700 -0.854 0.000 2.537 212 S HA 0.388 4.859 4.470 0.002 0.000 0.286 212 S C 0.236 174.320 174.600 -0.860 0.000 1.299 212 S CA 0.143 57.608 58.200 -1.224 0.000 1.067 212 S CB 0.376 62.621 63.200 -1.593 0.000 0.864 212 S HN 0.408 nan 8.310 nan 0.000 0.494 213 A N 4.763 127.103 122.820 -0.801 0.000 3.129 213 A HA 0.555 4.876 4.320 0.002 0.000 0.282 213 A C -0.879 176.099 177.584 -1.009 0.000 0.948 213 A CA -0.700 50.830 52.037 -0.845 0.000 1.027 213 A CB -0.447 18.457 19.000 -0.160 0.000 1.123 213 A HN 1.043 nan 8.150 nan 0.000 0.485 214 L N -4.460 115.933 121.223 -1.383 0.000 2.472 214 L HA 0.815 5.156 4.340 0.002 0.000 0.260 214 L C -1.389 175.011 176.870 -0.784 0.000 0.963 214 L CA -1.152 53.203 54.840 -0.810 0.000 0.829 214 L CB 0.997 42.846 42.059 -0.351 0.000 1.348 214 L HN 0.251 nan 8.230 nan 0.000 0.408 215 W N 1.789 123.143 121.300 0.090 0.000 2.543 215 W HA 0.348 5.010 4.660 0.002 0.000 0.318 215 W C -1.243 175.503 176.519 0.379 0.000 1.002 215 W CA -0.772 56.744 57.345 0.284 0.000 1.302 215 W CB 1.555 31.236 29.460 0.369 0.000 1.299 215 W HN 0.624 nan 8.180 nan 0.000 0.424 216 W N 2.455 123.963 121.300 0.347 0.000 2.158 216 W HA 0.162 4.823 4.660 0.002 0.000 0.339 216 W C 1.345 177.725 176.519 -0.231 0.000 1.294 216 W CA 0.387 57.805 57.345 0.123 0.000 1.231 216 W CB 0.783 30.287 29.460 0.073 0.000 1.143 216 W HN 0.188 nan 8.180 nan 0.000 0.571 217 S N 2.337 117.816 115.700 -0.369 0.000 2.600 217 S HA 0.205 4.677 4.470 0.002 0.000 0.265 217 S C -1.790 172.556 174.600 -0.423 0.000 1.325 217 S CA -1.058 56.363 58.200 -1.299 0.000 1.002 217 S CB 1.006 63.391 63.200 -1.359 0.000 0.921 217 S HN 0.282 nan 8.310 nan 0.000 0.554 218 P HA -0.131 nan 4.420 nan 0.000 0.216 218 P C 0.828 178.088 177.300 -0.067 0.000 1.153 218 P CA 1.487 64.546 63.100 -0.068 0.000 0.858 218 P CB -0.241 31.466 31.700 0.013 0.000 0.789 219 N N -1.633 117.014 118.700 -0.088 0.000 2.268 219 N HA 0.127 4.868 4.740 0.002 0.000 0.204 219 N C 1.079 176.504 175.510 -0.141 0.000 1.124 219 N CA 0.429 53.422 53.050 -0.095 0.000 0.838 219 N CB -0.826 37.622 38.487 -0.064 0.000 0.994 219 N HN 0.178 nan 8.380 nan 0.000 0.489 220 G N -1.047 107.671 108.800 -0.137 0.000 2.159 220 G HA2 -0.337 3.625 3.960 0.002 0.000 0.256 220 G HA3 -0.337 3.625 3.960 0.002 0.000 0.256 220 G C 0.929 175.838 174.900 0.015 0.000 0.977 220 G CA 0.767 45.766 45.100 -0.167 0.000 0.652 220 G HN 0.387 nan 8.290 nan 0.000 0.531 221 T N -0.085 114.425 114.554 -0.073 0.000 2.732 221 T HA 0.233 4.585 4.350 0.002 0.000 0.261 221 T C 0.811 175.351 174.700 -0.266 0.000 1.040 221 T CA 1.208 63.164 62.100 -0.240 0.000 1.145 221 T CB -0.084 68.516 68.868 -0.446 0.000 0.866 221 T HN 0.272 nan 8.240 nan 0.000 0.427 222 F N 0.609 120.595 119.950 0.060 0.000 2.422 222 F HA 0.594 5.122 4.527 0.002 0.000 0.333 222 F C -0.189 175.704 175.800 0.154 0.000 1.095 222 F CA -1.523 56.552 58.000 0.125 0.000 1.038 222 F CB 0.982 40.103 39.000 0.202 0.000 1.156 222 F HN -0.071 nan 8.300 nan 0.000 0.483 223 L N 3.108 124.494 121.223 0.271 0.000 2.305 223 L HA 0.802 5.144 4.340 0.002 0.000 0.284 223 L C -0.566 176.422 176.870 0.197 0.000 1.013 223 L CA -0.544 54.306 54.840 0.017 0.000 0.819 223 L CB 0.769 42.599 42.059 -0.381 0.000 1.227 223 L HN 0.669 nan 8.230 nan 0.000 0.417 224 A N 4.987 127.982 122.820 0.292 0.000 2.324 224 A HA 0.801 5.122 4.320 0.002 0.000 0.330 224 A C -1.496 176.174 177.584 0.144 0.000 1.165 224 A CA -0.322 51.761 52.037 0.077 0.000 0.813 224 A CB 0.721 19.839 19.000 0.196 0.000 1.197 224 A HN 0.870 nan 8.150 nan 0.000 0.484 225 Y N -1.493 118.635 120.300 -0.286 0.000 2.624 225 Y HA 0.746 5.297 4.550 0.002 0.000 0.334 225 Y C -0.335 175.449 175.900 -0.194 0.000 1.155 225 Y CA -0.875 57.168 58.100 -0.095 0.000 1.046 225 Y CB 0.818 39.182 38.460 -0.160 0.000 1.316 225 Y HN 0.934 nan 8.280 nan 0.000 0.457 226 A N 2.329 125.275 122.820 0.211 0.000 2.306 226 A HA 0.675 4.997 4.320 0.002 0.000 0.330 226 A C -1.045 176.499 177.584 -0.065 0.000 1.146 226 A CA -0.791 51.224 52.037 -0.037 0.000 0.827 226 A CB 1.593 20.486 19.000 -0.178 0.000 1.178 226 A HN 0.835 nan 8.150 nan 0.000 0.490 227 Q N 0.899 120.570 119.800 -0.214 0.000 2.337 227 Q HA 0.621 4.962 4.340 0.002 0.000 0.270 227 Q C -2.094 173.695 176.000 -0.352 0.000 1.043 227 Q CA -0.388 55.366 55.803 -0.082 0.000 0.794 227 Q CB 1.094 29.988 28.738 0.261 0.000 1.281 227 Q HN 0.584 nan 8.270 nan 0.000 0.446 228 F N 2.391 122.432 119.950 0.152 0.000 2.469 228 F HA 0.421 4.950 4.527 0.003 0.000 0.332 228 F C 0.282 176.222 175.800 0.233 0.000 1.103 228 F CA -0.963 57.098 58.000 0.103 0.000 0.979 228 F CB 1.449 40.401 39.000 -0.080 0.000 1.137 228 F HN 0.472 nan 8.300 nan 0.000 0.463 229 N N 1.733 120.644 118.700 0.353 0.000 2.446 229 N HA 0.249 4.990 4.740 0.002 0.000 0.265 229 N C -0.923 174.757 175.510 0.283 0.000 0.975 229 N CA -0.447 52.778 53.050 0.291 0.000 0.928 229 N CB 1.039 39.645 38.487 0.198 0.000 1.160 229 N HN 0.502 nan 8.380 nan 0.000 0.495 230 D N 1.677 122.262 120.400 0.308 0.000 2.501 230 D HA 0.146 4.788 4.640 0.002 0.000 0.226 230 D C 0.970 177.384 176.300 0.190 0.000 1.198 230 D CA 0.093 54.251 54.000 0.262 0.000 0.830 230 D CB 0.424 41.426 40.800 0.337 0.000 1.014 230 D HN 0.511 nan 8.370 nan 0.000 0.496 231 T N 0.161 114.808 114.554 0.156 0.000 2.737 231 T HA -0.165 4.186 4.350 0.002 0.000 0.269 231 T C 1.326 176.083 174.700 0.094 0.000 1.040 231 T CA 1.161 63.328 62.100 0.111 0.000 1.142 231 T CB 0.118 69.040 68.868 0.090 0.000 0.861 231 T HN 0.235 nan 8.240 nan 0.000 0.456 232 E N 0.482 120.739 120.200 0.096 0.000 2.498 232 E HA 0.192 4.544 4.350 0.002 0.000 0.203 232 E C -0.031 176.619 176.600 0.083 0.000 1.013 232 E CA -0.040 56.406 56.400 0.077 0.000 0.927 232 E CB 0.473 30.213 29.700 0.066 0.000 1.012 232 E HN 0.280 nan 8.360 nan 0.000 0.482 233 V N 4.426 124.404 119.914 0.106 0.000 2.508 233 V HA 0.094 4.216 4.120 0.002 0.000 0.281 233 V C -2.015 174.137 176.094 0.096 0.000 1.041 233 V CA -1.186 61.181 62.300 0.111 0.000 1.016 233 V CB 0.482 32.391 31.823 0.143 0.000 0.984 233 V HN 0.018 nan 8.190 nan 0.000 0.478 234 P HA 0.320 nan 4.420 nan 0.000 0.274 234 P C -0.832 176.505 177.300 0.062 0.000 1.246 234 P CA -0.403 62.735 63.100 0.063 0.000 0.795 234 P CB 0.583 32.316 31.700 0.055 0.000 1.006 235 L N 1.735 122.972 121.223 0.023 0.000 2.296 235 L HA 0.427 4.769 4.340 0.002 0.000 0.286 235 L C 0.347 177.171 176.870 -0.077 0.000 1.023 235 L CA -1.016 53.820 54.840 -0.006 0.000 0.812 235 L CB 1.121 43.171 42.059 -0.015 0.000 1.223 235 L HN 0.300 nan 8.230 nan 0.000 0.421 236 I N 3.035 123.514 120.570 -0.150 0.000 2.441 236 I HA 0.154 4.325 4.170 0.002 0.000 0.287 236 I C -0.158 175.812 176.117 -0.245 0.000 1.049 236 I CA 0.460 61.572 61.300 -0.313 0.000 1.381 236 I CB 0.605 38.159 38.000 -0.743 0.000 1.409 236 I HN 0.563 nan 8.210 nan 0.000 0.523 237 E N 7.385 127.457 120.200 -0.213 0.000 2.210 237 E HA 0.484 4.835 4.350 0.002 0.000 0.266 237 E C -1.705 174.829 176.600 -0.109 0.000 0.883 237 E CA -0.583 55.694 56.400 -0.205 0.000 0.761 237 E CB 1.950 31.559 29.700 -0.150 0.000 1.156 237 E HN 0.585 nan 8.360 nan 0.000 0.412 238 Y N -1.705 118.511 120.300 -0.140 0.000 2.625 238 Y HA 0.556 5.107 4.550 0.002 0.000 0.338 238 Y C -0.685 175.154 175.900 -0.101 0.000 1.123 238 Y CA -1.282 56.748 58.100 -0.117 0.000 1.046 238 Y CB 0.902 39.302 38.460 -0.100 0.000 1.299 238 Y HN 0.178 nan 8.280 nan 0.000 0.464 239 S N 1.652 117.375 115.700 0.038 0.000 2.537 239 S HA 0.475 4.947 4.470 0.002 0.000 0.275 239 S C -1.467 173.027 174.600 -0.176 0.000 1.272 239 S CA -0.424 57.641 58.200 -0.226 0.000 1.050 239 S CB 0.356 63.248 63.200 -0.512 0.000 0.961 239 S HN 0.516 nan 8.310 nan 0.000 0.496 240 F N 2.748 122.472 119.950 -0.376 0.000 2.449 240 F HA 0.429 4.958 4.527 0.003 0.000 0.342 240 F C -0.104 175.494 175.800 -0.338 0.000 1.127 240 F CA -0.868 56.996 58.000 -0.227 0.000 0.975 240 F CB 0.715 39.694 39.000 -0.035 0.000 1.146 240 F HN 0.666 nan 8.300 nan 0.000 0.444 241 Y N 2.710 122.812 120.300 -0.331 0.000 2.314 241 Y HA 0.079 4.631 4.550 0.003 0.000 0.294 241 Y C 1.777 177.589 175.900 -0.147 0.000 1.119 241 Y CA 1.251 59.235 58.100 -0.194 0.000 1.179 241 Y CB -0.648 37.695 38.460 -0.195 0.000 1.025 241 Y HN 0.730 nan 8.280 nan 0.000 0.541 242 S N -0.460 115.118 115.700 -0.203 0.000 3.569 242 S HA -0.227 4.244 4.470 0.002 0.000 0.635 242 S C -0.663 173.965 174.600 0.046 0.000 2.396 242 S CA 0.014 58.235 58.200 0.034 0.000 2.612 242 S CB -1.286 62.059 63.200 0.241 0.000 0.331 242 S HN 0.465 nan 8.310 nan 0.000 1.764 243 D N 1.736 122.187 120.400 0.085 0.000 2.525 243 D HA 0.067 4.709 4.640 0.002 0.000 0.235 243 D C 1.469 177.796 176.300 0.046 0.000 1.137 243 D CA 0.782 54.818 54.000 0.059 0.000 0.868 243 D CB 0.341 41.179 40.800 0.064 0.000 1.180 243 D HN 0.594 nan 8.370 nan 0.000 0.465 244 E N 1.263 121.480 120.200 0.027 0.000 2.217 244 E HA -0.350 4.002 4.350 0.002 0.000 0.219 244 E C 1.646 178.257 176.600 0.020 0.000 1.070 244 E CA 2.171 58.581 56.400 0.016 0.000 0.889 244 E CB 0.042 29.746 29.700 0.007 0.000 0.768 244 E HN 0.499 nan 8.360 nan 0.000 0.465 245 S N -0.211 115.506 115.700 0.028 0.000 2.507 245 S HA -0.066 4.406 4.470 0.002 0.000 0.235 245 S C 1.011 175.634 174.600 0.038 0.000 0.988 245 S CA -0.002 58.215 58.200 0.028 0.000 0.944 245 S CB -0.114 63.104 63.200 0.031 0.000 0.762 245 S HN 0.254 nan 8.310 nan 0.000 0.526 246 L N 2.123 123.377 121.223 0.052 0.000 2.369 246 L HA 0.181 4.522 4.340 0.002 0.000 0.279 246 L C 1.538 178.439 176.870 0.052 0.000 1.108 246 L CA -0.073 54.809 54.840 0.069 0.000 0.852 246 L CB 1.056 43.170 42.059 0.092 0.000 1.169 246 L HN 0.423 nan 8.230 nan 0.000 0.452 247 Q N 3.893 123.728 119.800 0.058 0.000 2.049 247 Q HA -0.085 4.257 4.340 0.002 0.000 0.198 247 Q C -0.574 175.352 176.000 -0.124 0.000 0.971 247 Q CA 1.356 57.142 55.803 -0.029 0.000 0.833 247 Q CB 0.217 28.959 28.738 0.006 0.000 0.896 247 Q HN 0.580 nan 8.270 nan 0.000 0.434 248 Y N 0.506 120.817 120.300 0.018 0.000 2.352 248 Y HA 0.366 4.917 4.550 0.003 0.000 0.339 248 Y C -2.054 173.849 175.900 0.005 0.000 0.992 248 Y CA -2.900 55.206 58.100 0.010 0.000 1.100 248 Y CB 1.290 39.749 38.460 -0.002 0.000 1.192 248 Y HN 0.147 nan 8.280 nan 0.000 0.458 249 P HA 0.043 nan 4.420 nan 0.000 0.268 249 P C -0.959 176.343 177.300 0.004 0.000 1.205 249 P CA -0.460 62.640 63.100 -0.001 0.000 0.771 249 P CB 0.456 32.072 31.700 -0.141 0.000 0.858 250 K N 0.687 121.089 120.400 0.003 0.000 2.144 250 K HA 0.392 4.714 4.320 0.002 0.000 0.270 250 K C -0.699 175.857 176.600 -0.072 0.000 1.005 250 K CA -0.495 55.785 56.287 -0.012 0.000 0.932 250 K CB 0.264 32.772 32.500 0.014 0.000 1.021 250 K HN 0.204 nan 8.250 nan 0.000 0.462 251 T N 2.594 117.089 114.554 -0.099 0.000 2.727 251 T HA 0.159 4.510 4.350 0.002 0.000 0.298 251 T C -0.086 174.490 174.700 -0.208 0.000 0.942 251 T CA -0.676 61.331 62.100 -0.155 0.000 0.997 251 T CB 0.670 69.461 68.868 -0.128 0.000 0.917 251 T HN 0.373 nan 8.240 nan 0.000 0.487 252 V N 6.344 126.051 119.914 -0.346 0.000 2.614 252 V HA 0.397 4.518 4.120 0.002 0.000 0.291 252 V C 0.567 176.380 176.094 -0.469 0.000 1.049 252 V CA -0.436 61.606 62.300 -0.430 0.000 1.038 252 V CB 0.271 31.721 31.823 -0.622 0.000 0.980 252 V HN 0.765 nan 8.190 nan 0.000 0.481 253 R N 4.362 124.714 120.500 -0.247 0.000 2.532 253 R HA 0.790 5.131 4.340 0.002 0.000 0.297 253 R C -1.668 174.607 176.300 -0.042 0.000 0.984 253 R CA -0.661 55.336 56.100 -0.173 0.000 0.884 253 R CB 1.607 31.836 30.300 -0.119 0.000 1.182 253 R HN 0.473 nan 8.270 nan 0.000 0.442 254 V N 2.414 122.309 119.914 -0.031 0.000 2.686 254 V HA 0.519 4.640 4.120 0.002 0.000 0.306 254 V C -2.739 173.403 176.094 0.080 0.000 1.065 254 V CA -2.335 60.017 62.300 0.087 0.000 0.894 254 V CB 2.707 34.604 31.823 0.124 0.000 1.004 254 V HN 0.644 nan 8.190 nan 0.000 0.424 255 P HA 0.241 nan 4.420 nan 0.000 0.265 255 P C -1.773 175.637 177.300 0.183 0.000 1.222 255 P CA 0.529 63.733 63.100 0.173 0.000 0.767 255 P CB -0.247 31.594 31.700 0.234 0.000 0.801 256 Y N 6.246 126.530 120.300 -0.027 0.000 2.298 256 Y HA 0.369 4.920 4.550 0.002 0.000 0.322 256 Y C -2.829 173.051 175.900 -0.032 0.000 1.138 256 Y CA -2.903 55.135 58.100 -0.105 0.000 1.127 256 Y CB 1.749 40.019 38.460 -0.316 0.000 1.178 256 Y HN 0.275 nan 8.280 nan 0.000 0.428 257 P HA 0.269 nan 4.420 nan 0.000 0.286 257 P C -0.896 176.479 177.300 0.125 0.000 1.321 257 P CA -0.174 62.986 63.100 0.100 0.000 0.790 257 P CB 1.275 33.011 31.700 0.060 0.000 0.897 258 K N 2.021 122.568 120.400 0.245 0.000 2.120 258 K HA 0.499 4.821 4.320 0.002 0.000 0.245 258 K C 0.601 177.306 176.600 0.176 0.000 1.024 258 K CA -0.711 55.736 56.287 0.266 0.000 0.906 258 K CB 0.452 33.120 32.500 0.279 0.000 1.051 258 K HN 0.446 nan 8.250 nan 0.000 0.491 259 A N 0.687 123.634 122.820 0.212 0.000 2.566 259 A HA 0.280 4.602 4.320 0.002 0.000 0.245 259 A C 1.183 178.798 177.584 0.051 0.000 1.056 259 A CA 0.944 53.087 52.037 0.176 0.000 0.757 259 A CB -1.187 17.996 19.000 0.304 0.000 0.979 259 A HN 0.900 nan 8.150 nan 0.000 0.508 260 G N 0.758 109.579 108.800 0.035 0.000 2.184 260 G HA2 0.120 4.082 3.960 0.002 0.000 0.264 260 G HA3 0.120 4.082 3.960 0.002 0.000 0.264 260 G C 0.582 175.492 174.900 0.015 0.000 0.975 260 G CA 0.767 45.862 45.100 -0.009 0.000 0.642 260 G HN 2.173 nan 8.290 nan 0.000 0.536 261 A N -0.536 122.312 122.820 0.047 0.000 2.242 261 A HA 0.794 5.115 4.320 0.002 0.000 0.304 261 A C 0.803 178.418 177.584 0.052 0.000 1.100 261 A CA 0.136 52.204 52.037 0.052 0.000 0.860 261 A CB 0.959 20.006 19.000 0.077 0.000 1.168 261 A HN 1.183 nan 8.150 nan 0.000 0.503 262 V N 2.634 122.579 119.914 0.052 0.000 2.509 262 V HA -0.037 4.084 4.120 0.002 0.000 0.297 262 V C 0.391 176.529 176.094 0.073 0.000 1.014 262 V CA 0.153 62.485 62.300 0.052 0.000 1.127 262 V CB -0.730 31.124 31.823 0.052 0.000 0.925 262 V HN 0.773 nan 8.190 nan 0.000 0.480 263 N N 6.725 125.465 118.700 0.067 0.000 2.515 263 N HA 0.395 5.136 4.740 0.002 0.000 0.279 263 N C -2.353 173.238 175.510 0.134 0.000 1.164 263 N CA -1.593 51.519 53.050 0.103 0.000 0.982 263 N CB 1.023 39.556 38.487 0.077 0.000 1.170 263 N HN 0.386 nan 8.380 nan 0.000 0.474 264 P HA 0.009 nan 4.420 nan 0.000 0.266 264 P C -0.314 177.133 177.300 0.246 0.000 1.195 264 P CA 0.027 63.282 63.100 0.258 0.000 0.768 264 P CB 0.100 32.015 31.700 0.359 0.000 0.838 265 T N -0.524 114.146 114.554 0.194 0.000 2.927 265 T HA 0.559 4.910 4.350 0.002 0.000 0.281 265 T C -0.126 174.689 174.700 0.192 0.000 0.998 265 T CA -0.800 61.376 62.100 0.128 0.000 1.019 265 T CB 1.519 70.424 68.868 0.063 0.000 1.061 265 T HN 0.304 nan 8.240 nan 0.000 0.518 266 V N 0.405 120.409 119.914 0.150 0.000 2.962 266 V HA 0.776 4.897 4.120 0.002 0.000 0.313 266 V C -1.405 174.745 176.094 0.093 0.000 1.099 266 V CA -0.919 61.436 62.300 0.092 0.000 0.971 266 V CB 2.132 34.063 31.823 0.179 0.000 1.028 266 V HN 1.045 nan 8.190 nan 0.000 0.430 267 K N 3.949 124.331 120.400 -0.030 0.000 2.469 267 K HA 0.546 4.867 4.320 0.002 0.000 0.254 267 K C -1.980 174.523 176.600 -0.161 0.000 0.939 267 K CA -0.426 55.814 56.287 -0.079 0.000 0.812 267 K CB 2.645 35.080 32.500 -0.109 0.000 1.301 267 K HN 0.546 nan 8.250 nan 0.000 0.433 268 F N 2.448 122.117 119.950 -0.468 0.000 2.495 268 F HA 0.604 5.132 4.527 0.002 0.000 0.327 268 F C -1.386 173.907 175.800 -0.844 0.000 1.103 268 F CA -0.655 57.045 58.000 -0.500 0.000 0.949 268 F CB 0.884 39.718 39.000 -0.277 0.000 1.142 268 F HN 0.394 nan 8.300 nan 0.000 0.457 269 F N 3.791 123.052 119.950 -1.148 0.000 2.601 269 F HA 0.694 5.222 4.527 0.002 0.000 0.309 269 F C -1.061 174.089 175.800 -1.084 0.000 1.089 269 F CA -1.119 56.304 58.000 -0.961 0.000 0.940 269 F CB 2.164 40.508 39.000 -1.092 0.000 1.273 269 F HN 0.116 nan 8.300 nan 0.000 0.450 270 V N 2.886 122.581 119.914 -0.365 0.000 2.604 270 V HA 0.671 4.793 4.120 0.002 0.000 0.305 270 V C -1.059 175.131 176.094 0.161 0.000 1.043 270 V CA -0.915 61.274 62.300 -0.186 0.000 0.888 270 V CB 1.933 33.517 31.823 -0.400 0.000 0.995 270 V HN 0.583 nan 8.190 nan 0.000 0.429 271 V N 4.028 124.104 119.914 0.270 0.000 2.604 271 V HA 0.522 4.644 4.120 0.002 0.000 0.305 271 V C -0.198 176.115 176.094 0.367 0.000 1.043 271 V CA -0.604 61.873 62.300 0.295 0.000 0.888 271 V CB 1.864 33.802 31.823 0.191 0.000 0.995 271 V HN 1.015 nan 8.190 nan 0.000 0.429 272 N N 3.263 122.141 118.700 0.298 0.000 2.401 272 N HA 0.170 4.911 4.740 0.002 0.000 0.255 272 N C 1.072 176.566 175.510 -0.027 0.000 1.110 272 N CA 0.372 53.458 53.050 0.059 0.000 0.949 272 N CB 1.117 39.610 38.487 0.010 0.000 1.110 272 N HN 0.904 nan 8.380 nan 0.000 0.490 273 T N -0.370 114.153 114.554 -0.052 0.000 3.148 273 T HA 0.065 4.417 4.350 0.002 0.000 0.253 273 T C 0.331 174.982 174.700 -0.082 0.000 1.134 273 T CA 0.293 62.383 62.100 -0.018 0.000 1.051 273 T CB 0.131 69.101 68.868 0.170 0.000 0.959 273 T HN 0.399 nan 8.240 nan 0.000 0.525 274 D N 0.743 121.064 120.400 -0.132 0.000 2.369 274 D HA 0.203 4.845 4.640 0.002 0.000 0.211 274 D C 0.632 176.866 176.300 -0.110 0.000 1.077 274 D CA 0.115 54.041 54.000 -0.124 0.000 0.842 274 D CB 0.544 41.257 40.800 -0.145 0.000 0.947 274 D HN 0.324 nan 8.370 nan 0.000 0.509 275 S N 0.726 116.360 115.700 -0.110 0.000 2.751 275 S HA 0.214 4.686 4.470 0.002 0.000 0.247 275 S C 0.255 174.799 174.600 -0.093 0.000 1.103 275 S CA -0.496 57.660 58.200 -0.073 0.000 1.090 275 S CB 0.249 63.435 63.200 -0.024 0.000 0.928 275 S HN 0.198 nan 8.310 nan 0.000 0.502 276 L N 0.107 121.208 121.223 -0.203 0.000 2.322 276 L HA 0.731 5.072 4.340 0.002 0.000 0.279 276 L C 0.664 177.414 176.870 -0.200 0.000 1.036 276 L CA -0.584 54.093 54.840 -0.273 0.000 0.807 276 L CB 1.367 43.093 42.059 -0.556 0.000 1.226 276 L HN 0.206 nan 8.230 nan 0.000 0.433 277 S N -1.051 114.642 115.700 -0.013 0.000 2.666 277 S HA 0.007 4.479 4.470 0.002 0.000 0.239 277 S C 1.026 175.746 174.600 0.200 0.000 1.031 277 S CA 0.266 58.520 58.200 0.089 0.000 1.015 277 S CB 0.071 63.309 63.200 0.062 0.000 0.981 277 S HN 1.196 nan 8.310 nan 0.000 0.547 278 S N 0.312 116.216 115.700 0.341 0.000 2.616 278 S HA -0.281 4.190 4.470 0.002 0.000 0.254 278 S C 1.034 175.736 174.600 0.170 0.000 1.299 278 S CA 1.467 59.850 58.200 0.306 0.000 1.553 278 S CB -2.268 61.084 63.200 0.253 0.000 1.999 278 S HN 0.944 nan 8.310 nan 0.000 0.677 279 V N 0.587 120.582 119.914 0.135 0.000 3.212 279 V HA 0.267 4.389 4.120 0.002 0.000 0.244 279 V C 1.167 177.310 176.094 0.080 0.000 1.151 279 V CA 1.101 63.457 62.300 0.092 0.000 1.119 279 V CB 0.176 32.039 31.823 0.067 0.000 0.838 279 V HN 0.647 nan 8.190 nan 0.000 0.470 280 T N 1.306 115.912 114.554 0.087 0.000 2.895 280 T HA 0.387 4.739 4.350 0.002 0.000 0.283 280 T C -0.186 174.573 174.700 0.098 0.000 1.014 280 T CA -0.480 61.660 62.100 0.067 0.000 1.037 280 T CB 1.107 70.005 68.868 0.050 0.000 1.006 280 T HN 0.142 nan 8.240 nan 0.000 0.468 281 N N 1.920 120.667 118.700 0.078 0.000 2.412 281 N HA 0.297 5.039 4.740 0.002 0.000 0.254 281 N C 0.151 175.728 175.510 0.111 0.000 1.232 281 N CA -0.077 53.048 53.050 0.126 0.000 0.880 281 N CB 0.218 38.733 38.487 0.048 0.000 1.076 281 N HN 0.848 nan 8.380 nan 0.000 0.458 282 A N 1.587 124.486 122.820 0.132 0.000 2.511 282 A HA 0.283 4.604 4.320 0.002 0.000 0.242 282 A C 0.441 178.073 177.584 0.080 0.000 1.069 282 A CA -0.213 51.872 52.037 0.080 0.000 0.763 282 A CB -0.265 18.764 19.000 0.049 0.000 1.001 282 A HN 0.658 nan 8.150 nan 0.000 0.498 283 T N 0.747 115.351 114.554 0.083 0.000 2.749 283 T HA 0.571 4.923 4.350 0.002 0.000 0.287 283 T C 0.021 174.797 174.700 0.127 0.000 0.970 283 T CA -0.492 61.666 62.100 0.097 0.000 0.980 283 T CB 0.930 69.861 68.868 0.106 0.000 0.924 283 T HN 0.411 nan 8.240 nan 0.000 0.456 284 S N 2.543 118.306 115.700 0.104 0.000 2.508 284 S HA 0.574 5.045 4.470 0.002 0.000 0.284 284 S C -0.173 174.577 174.600 0.251 0.000 1.192 284 S CA -0.699 57.586 58.200 0.141 0.000 1.070 284 S CB 0.255 63.418 63.200 -0.063 0.000 1.004 284 S HN 0.643 nan 8.310 nan 0.000 0.493 285 I N 2.698 123.446 120.570 0.297 0.000 2.339 285 I HA 0.291 4.463 4.170 0.002 0.000 0.290 285 I C 0.276 176.533 176.117 0.234 0.000 0.994 285 I CA -0.171 61.309 61.300 0.300 0.000 1.191 285 I CB 1.567 39.797 38.000 0.382 0.000 1.343 285 I HN 0.562 nan 8.210 nan 0.000 0.458 286 Q N 5.975 125.880 119.800 0.174 0.000 2.288 286 Q HA 0.542 4.883 4.340 0.002 0.000 0.254 286 Q C -1.092 174.858 176.000 -0.082 0.000 0.932 286 Q CA -0.291 55.418 55.803 -0.157 0.000 0.902 286 Q CB 0.953 29.552 28.738 -0.233 0.000 1.203 286 Q HN 0.562 nan 8.270 nan 0.000 0.415 287 I N 4.025 124.528 120.570 -0.111 0.000 2.354 287 I HA 0.244 4.416 4.170 0.002 0.000 0.286 287 I C 0.433 176.531 176.117 -0.031 0.000 1.007 287 I CA -0.544 60.752 61.300 -0.006 0.000 1.167 287 I CB 1.497 39.536 38.000 0.066 0.000 1.320 287 I HN 0.733 nan 8.210 nan 0.000 0.458 288 T N 3.053 117.545 114.554 -0.104 0.000 2.888 288 T HA 0.871 5.222 4.350 0.002 0.000 0.283 288 T C 0.644 175.107 174.700 -0.395 0.000 1.013 288 T CA 0.200 62.183 62.100 -0.196 0.000 0.938 288 T CB 1.620 70.388 68.868 -0.168 0.000 1.298 288 T HN 1.059 nan 8.240 nan 0.000 0.580 289 A N 0.429 122.920 122.820 -0.548 0.000 5.805 289 A HA 0.016 4.337 4.320 0.002 0.000 0.256 289 A C -2.432 174.382 177.584 -1.284 0.000 2.214 289 A CA 0.062 51.689 52.037 -0.683 0.000 0.709 289 A CB -2.843 15.905 19.000 -0.422 0.000 1.038 289 A HN 0.976 nan 8.150 nan 0.000 0.350 290 P HA 0.470 nan 4.420 nan 0.000 0.277 290 P C 1.035 178.101 177.300 -0.389 0.000 1.271 290 P CA 0.719 63.509 63.100 -0.517 0.000 0.795 290 P CB 0.588 32.072 31.700 -0.360 0.000 1.101 291 A N 1.351 124.024 122.820 -0.244 0.000 1.940 291 A HA -0.247 4.074 4.320 0.002 0.000 0.221 291 A C 2.149 179.634 177.584 -0.166 0.000 1.190 291 A CA 3.007 54.937 52.037 -0.178 0.000 0.647 291 A CB -2.022 16.905 19.000 -0.121 0.000 0.821 291 A HN 0.682 nan 8.150 nan 0.000 0.457 292 S N -2.452 113.164 115.700 -0.140 0.000 2.489 292 S HA 0.079 4.550 4.470 0.002 0.000 0.228 292 S C 1.614 176.133 174.600 -0.134 0.000 0.995 292 S CA 1.354 59.489 58.200 -0.108 0.000 0.934 292 S CB -0.101 63.111 63.200 0.019 0.000 0.771 292 S HN 0.344 nan 8.310 nan 0.000 0.522 293 M N 1.353 120.824 119.600 -0.215 0.000 2.429 293 M HA 0.455 4.936 4.480 0.002 0.000 0.265 293 M C 1.662 177.781 176.300 -0.302 0.000 1.120 293 M CA 0.931 56.059 55.300 -0.288 0.000 1.173 293 M CB -0.619 31.642 32.600 -0.565 0.000 1.343 293 M HN 0.234 nan 8.290 nan 0.000 0.464 294 L N 0.304 121.327 121.223 -0.332 0.000 2.362 294 L HA -0.099 4.243 4.340 0.002 0.000 0.219 294 L C 1.813 178.640 176.870 -0.072 0.000 1.134 294 L CA 0.585 55.308 54.840 -0.196 0.000 0.807 294 L CB -0.834 41.101 42.059 -0.208 0.000 0.927 294 L HN 0.363 nan 8.230 nan 0.000 0.447 295 I N -2.567 117.952 120.570 -0.085 0.000 3.241 295 I HA 0.164 4.335 4.170 0.002 0.000 0.280 295 I C 0.926 177.024 176.117 -0.031 0.000 1.320 295 I CA 0.378 61.642 61.300 -0.061 0.000 1.413 295 I CB -0.713 37.238 38.000 -0.083 0.000 1.060 295 I HN 0.092 nan 8.210 nan 0.000 0.500 296 G N -0.140 108.664 108.800 0.007 0.000 2.428 296 G HA2 0.188 4.149 3.960 0.002 0.000 0.304 296 G HA3 0.188 4.149 3.960 0.002 0.000 0.304 296 G C -1.906 173.037 174.900 0.070 0.000 1.303 296 G CA -0.749 44.362 45.100 0.018 0.000 0.825 296 G HN 0.045 nan 8.290 nan 0.000 0.484 297 D N 1.261 121.650 120.400 -0.018 0.000 2.414 297 D HA 0.477 5.119 4.640 0.002 0.000 0.242 297 D C 0.464 176.692 176.300 -0.121 0.000 1.129 297 D CA 0.771 54.693 54.000 -0.130 0.000 0.885 297 D CB 0.394 41.096 40.800 -0.164 0.000 1.198 297 D HN 0.583 nan 8.370 nan 0.000 0.437 298 H N -0.929 117.997 119.070 -0.240 0.000 2.981 298 H HA 0.423 4.980 4.556 0.002 0.000 0.327 298 H C -1.387 173.785 175.328 -0.260 0.000 1.342 298 H CA -0.834 55.085 56.048 -0.214 0.000 1.123 298 H CB 0.272 30.043 29.762 0.015 0.000 1.851 298 H HN 0.311 nan 8.280 nan 0.000 0.531 299 Y N 0.163 120.699 120.300 0.392 0.000 2.570 299 Y HA 0.425 4.976 4.550 0.003 0.000 0.345 299 Y C -0.299 175.848 175.900 0.411 0.000 1.014 299 Y CA -1.216 57.101 58.100 0.361 0.000 1.063 299 Y CB 1.915 40.415 38.460 0.068 0.000 1.272 299 Y HN 0.486 nan 8.280 nan 0.000 0.477 300 L N 2.708 124.211 121.223 0.467 0.000 2.264 300 L HA 0.442 4.784 4.340 0.002 0.000 0.289 300 L C 0.293 177.150 176.870 -0.021 0.000 1.044 300 L CA -0.311 54.448 54.840 -0.134 0.000 0.807 300 L CB 0.565 42.425 42.059 -0.332 0.000 1.192 300 L HN 0.982 nan 8.230 nan 0.000 0.425 301 C N 0.834 119.994 119.300 -0.234 0.000 3.336 301 C HA 0.643 5.105 4.460 0.002 0.000 0.291 301 C C 0.081 174.894 174.990 -0.295 0.000 1.363 301 C CA -0.191 58.621 59.018 -0.343 0.000 1.737 301 C CB -1.368 26.237 27.740 -0.225 0.000 2.274 301 C HN 0.901 nan 8.230 nan 0.000 0.663 302 D N -0.250 120.021 120.400 -0.215 0.000 2.787 302 D HA 0.433 5.074 4.640 0.002 0.000 0.215 302 D C -1.471 174.577 176.300 -0.419 0.000 1.246 302 D CA -0.144 53.765 54.000 -0.150 0.000 0.798 302 D CB 2.124 42.822 40.800 -0.170 0.000 1.649 302 D HN 0.321 nan 8.370 nan 0.000 0.507 303 V N 2.052 121.635 119.914 -0.551 0.000 2.577 303 V HA 0.884 5.005 4.120 0.002 0.000 0.303 303 V C -1.464 174.269 176.094 -0.602 0.000 1.042 303 V CA 0.024 61.805 62.300 -0.865 0.000 0.872 303 V CB 1.938 32.895 31.823 -1.444 0.000 0.998 303 V HN 0.657 nan 8.190 nan 0.000 0.423 304 T N 6.090 120.387 114.554 -0.429 0.000 3.050 304 T HA 0.378 4.729 4.350 0.002 0.000 0.310 304 T C -0.887 173.711 174.700 -0.170 0.000 0.978 304 T CA -0.186 61.823 62.100 -0.152 0.000 1.013 304 T CB 0.706 69.552 68.868 -0.036 0.000 1.000 304 T HN 0.781 nan 8.240 nan 0.000 0.447 305 W N 2.027 123.290 121.300 -0.061 0.000 2.231 305 W HA 0.393 5.055 4.660 0.002 0.000 0.341 305 W C 1.205 177.615 176.519 -0.182 0.000 1.298 305 W CA -0.048 57.250 57.345 -0.078 0.000 1.266 305 W CB 0.468 29.962 29.460 0.056 0.000 1.172 305 W HN 0.842 nan 8.180 nan 0.000 0.568 306 A N 1.834 124.561 122.820 -0.155 0.000 1.984 306 A HA 0.234 4.555 4.320 0.002 0.000 0.203 306 A C 0.818 178.338 177.584 -0.106 0.000 1.292 306 A CA 1.407 53.075 52.037 -0.616 0.000 0.782 306 A CB -0.244 17.898 19.000 -1.430 0.000 0.924 306 A HN 0.536 nan 8.150 nan 0.000 0.475 307 T N -5.404 109.200 114.554 0.084 0.000 2.618 307 T HA 0.318 4.670 4.350 0.002 0.000 0.293 307 T C -0.023 174.827 174.700 0.250 0.000 1.093 307 T CA -0.369 61.823 62.100 0.154 0.000 1.061 307 T CB 0.561 69.503 68.868 0.124 0.000 1.498 307 T HN -0.067 nan 8.240 nan 0.000 0.494 308 Q N 0.169 120.082 119.800 0.189 0.000 2.437 308 Q HA 0.082 4.423 4.340 0.002 0.000 0.210 308 Q C 0.737 176.944 176.000 0.345 0.000 0.972 308 Q CA 1.273 57.187 55.803 0.184 0.000 0.903 308 Q CB -0.055 28.759 28.738 0.126 0.000 0.967 308 Q HN 0.817 nan 8.270 nan 0.000 0.486 309 E N -0.589 119.833 120.200 0.370 0.000 2.753 309 E HA 0.187 4.539 4.350 0.002 0.000 0.218 309 E C -0.273 176.569 176.600 0.404 0.000 0.956 309 E CA -0.125 56.495 56.400 0.367 0.000 1.244 309 E CB 1.151 30.980 29.700 0.215 0.000 1.114 309 E HN -0.070 nan 8.360 nan 0.000 0.530 310 R N 1.740 122.495 120.500 0.424 0.000 2.476 310 R HA 0.509 4.851 4.340 0.002 0.000 0.305 310 R C -1.513 174.829 176.300 0.069 0.000 0.965 310 R CA -0.419 55.820 56.100 0.232 0.000 0.867 310 R CB 1.351 31.670 30.300 0.032 0.000 1.176 310 R HN 0.064 nan 8.270 nan 0.000 0.447 311 I N 2.798 123.246 120.570 -0.202 0.000 2.530 311 I HA 0.397 4.568 4.170 0.002 0.000 0.297 311 I C -0.703 175.099 176.117 -0.525 0.000 1.011 311 I CA -0.411 60.469 61.300 -0.700 0.000 1.107 311 I CB 2.021 39.090 38.000 -1.553 0.000 1.285 311 I HN 0.713 nan 8.210 nan 0.000 0.436 312 S N 7.581 122.971 115.700 -0.517 0.000 2.472 312 S HA 0.769 5.240 4.470 0.002 0.000 0.303 312 S C -1.125 173.182 174.600 -0.489 0.000 1.099 312 S CA -0.683 57.297 58.200 -0.365 0.000 1.077 312 S CB 1.766 64.889 63.200 -0.128 0.000 1.031 312 S HN 0.454 nan 8.310 nan 0.000 0.487 313 L N 2.386 123.338 121.223 -0.452 0.000 2.409 313 L HA 0.515 4.857 4.340 0.002 0.000 0.272 313 L C -0.432 176.169 176.870 -0.448 0.000 0.980 313 L CA -0.164 54.309 54.840 -0.611 0.000 0.826 313 L CB 1.958 43.612 42.059 -0.675 0.000 1.268 313 L HN 0.841 nan 8.230 nan 0.000 0.407 314 Q N 2.223 121.714 119.800 -0.514 0.000 2.316 314 Q HA 0.515 4.856 4.340 0.002 0.000 0.264 314 Q C -1.562 174.191 176.000 -0.411 0.000 0.987 314 Q CA -0.426 55.185 55.803 -0.320 0.000 0.852 314 Q CB 2.047 30.653 28.738 -0.221 0.000 1.287 314 Q HN 0.469 nan 8.270 nan 0.000 0.448 315 W N 2.336 123.581 121.300 -0.091 0.000 2.627 315 W HA 0.599 5.261 4.660 0.003 0.000 0.339 315 W C -0.946 175.595 176.519 0.038 0.000 1.058 315 W CA -0.676 56.657 57.345 -0.020 0.000 1.223 315 W CB 1.148 30.568 29.460 -0.067 0.000 1.389 315 W HN 0.378 nan 8.180 nan 0.000 0.541 316 L N 3.195 124.632 121.223 0.357 0.000 2.381 316 L HA 0.549 4.891 4.340 0.002 0.000 0.274 316 L C -0.020 177.049 176.870 0.331 0.000 0.988 316 L CA -1.116 53.904 54.840 0.299 0.000 0.824 316 L CB 1.171 43.378 42.059 0.248 0.000 1.263 316 L HN 0.391 nan 8.230 nan 0.000 0.410 317 R N 2.755 123.414 120.500 0.264 0.000 2.694 317 R HA 0.194 4.535 4.340 0.002 0.000 0.268 317 R C 1.077 177.455 176.300 0.130 0.000 1.061 317 R CA -0.181 56.022 56.100 0.171 0.000 1.133 317 R CB 0.497 30.880 30.300 0.137 0.000 1.020 317 R HN 0.640 nan 8.270 nan 0.000 0.475 318 R N 1.230 121.721 120.500 -0.016 0.000 2.117 318 R HA -0.096 4.246 4.340 0.002 0.000 0.243 318 R C 0.423 176.786 176.300 0.105 0.000 1.143 318 R CA 1.128 57.221 56.100 -0.013 0.000 0.968 318 R CB 0.121 30.360 30.300 -0.101 0.000 0.863 318 R HN 0.394 nan 8.270 nan 0.000 0.444 319 I N 2.787 123.399 120.570 0.070 0.000 2.389 319 I HA -0.023 4.148 4.170 0.002 0.000 0.295 319 I C 0.457 176.637 176.117 0.104 0.000 1.117 319 I CA 0.622 61.964 61.300 0.071 0.000 1.317 319 I CB 0.849 38.877 38.000 0.046 0.000 1.431 319 I HN 0.253 nan 8.210 nan 0.000 0.521 320 Q N 3.750 123.606 119.800 0.093 0.000 2.283 320 Q HA 0.000 4.342 4.340 0.002 0.000 0.223 320 Q C 1.063 177.136 176.000 0.121 0.000 0.918 320 Q CA -0.078 55.789 55.803 0.108 0.000 0.952 320 Q CB -0.002 28.752 28.738 0.027 0.000 1.030 320 Q HN 0.480 nan 8.270 nan 0.000 0.452 321 N N -0.113 118.663 118.700 0.127 0.000 2.354 321 N HA -0.082 4.659 4.740 0.002 0.000 0.179 321 N C -0.829 174.782 175.510 0.168 0.000 1.021 321 N CA 0.821 53.945 53.050 0.123 0.000 0.887 321 N CB 0.349 38.908 38.487 0.120 0.000 0.974 321 N HN 0.293 nan 8.380 nan 0.000 0.437 322 Y N 0.167 120.493 120.300 0.043 0.000 2.354 322 Y HA 0.393 4.944 4.550 0.002 0.000 0.330 322 Y C -0.758 175.178 175.900 0.060 0.000 1.011 322 Y CA -1.004 57.120 58.100 0.041 0.000 1.099 322 Y CB 1.098 39.576 38.460 0.029 0.000 1.179 322 Y HN -0.099 nan 8.280 nan 0.000 0.442 323 S N 3.838 119.422 115.700 -0.193 0.000 2.634 323 S HA 0.931 5.403 4.470 0.002 0.000 0.296 323 S C -1.668 172.813 174.600 -0.198 0.000 1.104 323 S CA -0.799 57.354 58.200 -0.078 0.000 0.920 323 S CB 2.104 65.290 63.200 -0.025 0.000 1.111 323 S HN 0.421 nan 8.310 nan 0.000 0.493 324 V N 2.035 121.941 119.914 -0.014 0.000 2.686 324 V HA 0.469 4.591 4.120 0.002 0.000 0.306 324 V C -0.643 175.486 176.094 0.059 0.000 1.065 324 V CA -0.624 61.677 62.300 0.002 0.000 0.894 324 V CB 1.830 33.689 31.823 0.059 0.000 1.004 324 V HN 1.038 nan 8.190 nan 0.000 0.424 325 M N 4.028 123.638 119.600 0.015 0.000 2.084 325 M HA 0.432 4.913 4.480 0.002 0.000 0.351 325 M C -0.834 175.486 176.300 0.034 0.000 1.240 325 M CA -0.235 55.056 55.300 -0.015 0.000 1.083 325 M CB 0.512 33.058 32.600 -0.091 0.000 1.593 325 M HN 0.613 nan 8.290 nan 0.000 0.463 326 D N 5.335 125.758 120.400 0.037 0.000 2.264 326 D HA 0.452 5.093 4.640 0.002 0.000 0.249 326 D C -0.797 175.485 176.300 -0.030 0.000 1.070 326 D CA 0.151 54.163 54.000 0.020 0.000 0.912 326 D CB 1.510 42.341 40.800 0.052 0.000 1.193 326 D HN 0.605 nan 8.370 nan 0.000 0.427 327 I N 2.125 122.697 120.570 0.002 0.000 2.439 327 I HA 0.222 4.394 4.170 0.002 0.000 0.283 327 I C -0.736 175.388 176.117 0.011 0.000 1.023 327 I CA -0.484 60.815 61.300 -0.001 0.000 1.100 327 I CB 1.282 39.337 38.000 0.091 0.000 1.238 327 I HN 0.188 nan 8.210 nan 0.000 0.445 328 c N 3.821 122.421 118.600 -0.000 0.000 2.379 328 c HA 0.536 5.107 4.570 0.002 0.000 0.323 328 c C -0.292 173.969 174.090 0.285 0.000 1.262 328 c CA -0.715 55.684 56.329 0.118 0.000 1.581 328 c CB 1.033 43.601 42.510 0.096 0.000 2.221 328 c HN 0.582 nan 8.230 nan 0.000 0.497 329 D N 0.395 120.934 120.400 0.232 0.000 2.256 329 D HA 0.340 4.981 4.640 0.002 0.000 0.246 329 D C -0.642 175.560 176.300 -0.163 0.000 1.042 329 D CA -0.174 53.888 54.000 0.104 0.000 0.841 329 D CB 0.785 41.596 40.800 0.019 0.000 1.223 329 D HN 0.554 nan 8.370 nan 0.000 0.470 330 Y N 1.927 121.763 120.300 -0.773 0.000 2.526 330 Y HA 0.201 4.752 4.550 0.002 0.000 0.330 330 Y C -0.212 175.377 175.900 -0.520 0.000 1.156 330 Y CA 0.054 57.417 58.100 -1.229 0.000 1.419 330 Y CB 0.630 38.309 38.460 -1.301 0.000 1.250 330 Y HN 0.197 nan 8.280 nan 0.000 0.540 331 D N 4.995 124.739 120.400 -1.093 0.000 2.414 331 D HA 0.124 4.766 4.640 0.002 0.000 0.232 331 D C 0.647 176.377 176.300 -0.949 0.000 1.070 331 D CA -0.265 53.300 54.000 -0.725 0.000 0.839 331 D CB 1.253 41.802 40.800 -0.418 0.000 1.079 331 D HN 0.805 nan 8.370 nan 0.000 0.521 332 E N 1.487 121.343 120.200 -0.574 0.000 2.058 332 E HA -0.165 4.186 4.350 0.002 0.000 0.194 332 E C 1.519 178.008 176.600 -0.184 0.000 0.997 332 E CA 1.452 57.688 56.400 -0.274 0.000 0.801 332 E CB 0.291 29.972 29.700 -0.032 0.000 0.746 332 E HN 0.398 nan 8.360 nan 0.000 0.450 333 S N -0.484 115.118 115.700 -0.163 0.000 2.368 333 S HA -0.157 4.314 4.470 0.002 0.000 0.225 333 S C 2.014 176.557 174.600 -0.095 0.000 1.030 333 S CA 1.390 59.532 58.200 -0.096 0.000 0.999 333 S CB -0.194 62.957 63.200 -0.081 0.000 0.844 333 S HN 0.444 nan 8.310 nan 0.000 0.459 334 S N -0.318 115.293 115.700 -0.148 0.000 2.502 334 S HA 0.417 4.889 4.470 0.002 0.000 0.215 334 S C 1.526 176.070 174.600 -0.093 0.000 1.009 334 S CA 0.576 58.714 58.200 -0.102 0.000 0.908 334 S CB 0.158 63.299 63.200 -0.098 0.000 0.801 334 S HN 0.763 nan 8.310 nan 0.000 0.505 335 G N 1.655 110.337 108.800 -0.197 0.000 2.153 335 G HA2 -0.272 3.689 3.960 0.002 0.000 0.252 335 G HA3 -0.272 3.689 3.960 0.002 0.000 0.252 335 G C 0.153 175.038 174.900 -0.025 0.000 0.994 335 G CA 0.354 45.407 45.100 -0.078 0.000 0.698 335 G HN 0.612 nan 8.290 nan 0.000 0.521 336 R N -1.931 118.461 120.500 -0.182 0.000 2.719 336 R HA 0.720 5.062 4.340 0.002 0.000 0.233 336 R C -0.706 175.471 176.300 -0.205 0.000 1.257 336 R CA -0.802 55.283 56.100 -0.025 0.000 1.109 336 R CB 0.749 31.056 30.300 0.012 0.000 1.447 336 R HN 0.163 nan 8.270 nan 0.000 0.537 337 W N 0.008 121.306 121.300 -0.004 0.000 2.656 337 W HA 0.402 5.063 4.660 0.003 0.000 0.327 337 W C -0.725 175.772 176.519 -0.036 0.000 1.041 337 W CA -0.344 56.995 57.345 -0.010 0.000 1.229 337 W CB 1.462 30.928 29.460 0.009 0.000 1.397 337 W HN 0.398 nan 8.180 nan 0.000 0.479 338 N N 1.717 120.500 118.700 0.138 0.000 2.314 338 N HA 0.533 5.275 4.740 0.002 0.000 0.294 338 N C -1.576 173.977 175.510 0.072 0.000 1.029 338 N CA -0.543 52.546 53.050 0.065 0.000 0.845 338 N CB 1.197 39.682 38.487 -0.003 0.000 1.321 338 N HN 0.215 nan 8.380 nan 0.000 0.481 339 c N 3.096 121.720 118.600 0.041 0.000 2.258 339 c HA 0.373 4.944 4.570 0.002 0.000 0.321 339 c C 0.232 174.319 174.090 -0.005 0.000 1.168 339 c CA -1.060 55.281 56.329 0.020 0.000 1.531 339 c CB -1.310 41.201 42.510 0.002 0.000 2.095 339 c HN 0.603 nan 8.230 nan 0.000 0.449 340 L N 3.268 124.491 121.223 -0.001 0.000 2.456 340 L HA 0.148 4.490 4.340 0.002 0.000 0.277 340 L C 0.682 177.535 176.870 -0.028 0.000 1.124 340 L CA 0.203 55.035 54.840 -0.014 0.000 0.880 340 L CB 0.443 42.498 42.059 -0.007 0.000 1.192 340 L HN 0.576 nan 8.230 nan 0.000 0.463 341 V N 5.836 125.726 119.914 -0.039 0.000 2.509 341 V HA 0.281 4.403 4.120 0.002 0.000 0.297 341 V C 0.972 177.037 176.094 -0.049 0.000 1.014 341 V CA 1.193 63.464 62.300 -0.049 0.000 1.127 341 V CB 0.234 32.027 31.823 -0.049 0.000 0.925 341 V HN 1.096 nan 8.190 nan 0.000 0.480 342 A N 5.444 128.223 122.820 -0.068 0.000 3.441 342 A HA -0.095 4.227 4.320 0.002 0.000 0.197 342 A C 1.545 179.073 177.584 -0.094 0.000 0.732 342 A CA 0.580 52.576 52.037 -0.069 0.000 2.245 342 A CB -1.155 17.821 19.000 -0.040 0.000 0.510 342 A HN 0.686 nan 8.150 nan 0.000 0.589 343 R N 0.708 121.165 120.500 -0.073 0.000 2.334 343 R HA 0.116 4.457 4.340 0.002 0.000 0.216 343 R C 0.667 176.891 176.300 -0.126 0.000 0.905 343 R CA 0.640 56.707 56.100 -0.055 0.000 1.064 343 R CB 0.229 30.551 30.300 0.036 0.000 1.046 343 R HN 0.817 nan 8.270 nan 0.000 0.508 344 Q N 0.466 120.168 119.800 -0.163 0.000 2.261 344 Q HA 0.149 4.491 4.340 0.002 0.000 0.252 344 Q C -1.200 174.647 176.000 -0.255 0.000 0.915 344 Q CA -0.239 55.491 55.803 -0.122 0.000 0.915 344 Q CB 1.063 29.770 28.738 -0.052 0.000 1.204 344 Q HN 0.150 nan 8.270 nan 0.000 0.421 345 H N 2.236 121.305 119.070 -0.002 0.000 2.511 345 H HA 0.426 4.984 4.556 0.002 0.000 0.328 345 H C -0.690 174.610 175.328 -0.047 0.000 1.044 345 H CA -0.547 55.504 56.048 0.006 0.000 1.212 345 H CB 1.234 31.009 29.762 0.023 0.000 1.428 345 H HN 0.567 nan 8.280 nan 0.000 0.483 346 I N 2.327 122.918 120.570 0.035 0.000 2.395 346 I HA 0.118 4.290 4.170 0.002 0.000 0.289 346 I C 0.292 176.364 176.117 -0.076 0.000 1.023 346 I CA 0.178 61.410 61.300 -0.114 0.000 1.350 346 I CB 0.774 38.679 38.000 -0.158 0.000 1.409 346 I HN 0.594 nan 8.210 nan 0.000 0.507 347 E N 8.432 128.533 120.200 -0.165 0.000 2.279 347 E HA 0.468 4.819 4.350 0.002 0.000 0.252 347 E C -1.109 175.399 176.600 -0.154 0.000 0.894 347 E CA -0.637 55.709 56.400 -0.090 0.000 0.785 347 E CB 1.120 30.800 29.700 -0.034 0.000 1.237 347 E HN 0.607 nan 8.360 nan 0.000 0.418 348 M N 1.038 120.573 119.600 -0.108 0.000 2.755 348 M HA 0.683 5.165 4.480 0.002 0.000 0.298 348 M C -0.846 175.446 176.300 -0.013 0.000 1.251 348 M CA -0.901 54.358 55.300 -0.068 0.000 0.817 348 M CB 2.302 34.881 32.600 -0.034 0.000 1.760 348 M HN 0.169 nan 8.290 nan 0.000 0.473 349 S N -0.825 114.877 115.700 0.003 0.000 2.548 349 S HA 0.511 4.983 4.470 0.002 0.000 0.276 349 S C 0.216 174.806 174.600 -0.016 0.000 1.129 349 S CA -0.028 58.159 58.200 -0.021 0.000 0.931 349 S CB 1.791 64.945 63.200 -0.078 0.000 1.068 349 S HN 0.938 nan 8.310 nan 0.000 0.480 350 T N -0.140 114.404 114.554 -0.018 0.000 3.051 350 T HA 0.039 4.390 4.350 0.002 0.000 0.255 350 T C 1.530 176.206 174.700 -0.039 0.000 1.085 350 T CA 1.107 63.199 62.100 -0.013 0.000 1.109 350 T CB -0.468 68.400 68.868 -0.000 0.000 0.921 350 T HN 0.675 nan 8.240 nan 0.000 0.488 351 T N -2.025 112.489 114.554 -0.067 0.000 3.015 351 T HA 0.595 4.946 4.350 0.002 0.000 0.250 351 T C 1.110 175.610 174.700 -0.333 0.000 1.057 351 T CA 0.343 62.389 62.100 -0.090 0.000 1.066 351 T CB 0.337 69.232 68.868 0.044 0.000 0.959 351 T HN 0.628 nan 8.240 nan 0.000 0.488 352 G N 0.247 108.685 108.800 -0.603 0.000 2.694 352 G HA2 0.503 4.464 3.960 0.002 0.000 0.246 352 G HA3 0.503 4.464 3.960 0.002 0.000 0.246 352 G C -1.587 173.042 174.900 -0.452 0.000 1.205 352 G CA -0.675 43.839 45.100 -0.976 0.000 0.891 352 G HN 0.479 nan 8.290 nan 0.000 0.515 353 W N -0.194 120.858 121.300 -0.415 0.000 2.225 353 W HA 0.737 5.398 4.660 0.002 0.000 0.377 353 W C -0.386 176.083 176.519 -0.083 0.000 1.418 353 W CA -1.238 55.986 57.345 -0.202 0.000 1.562 353 W CB 0.483 29.795 29.460 -0.246 0.000 1.297 353 W HN 0.276 nan 8.180 nan 0.000 0.686 354 V N 2.502 122.490 119.914 0.123 0.000 2.427 354 V HA 0.772 4.894 4.120 0.002 0.000 0.286 354 V C 0.711 176.877 176.094 0.120 0.000 1.034 354 V CA 0.039 62.367 62.300 0.047 0.000 0.893 354 V CB 0.021 31.868 31.823 0.041 0.000 0.982 354 V HN 1.363 nan 8.190 nan 0.000 0.452 355 G N 4.674 113.501 108.800 0.045 0.000 2.795 355 G HA2 -0.182 3.780 3.960 0.002 0.000 0.664 355 G HA3 -0.182 3.780 3.960 0.002 0.000 0.664 355 G C 0.262 175.228 174.900 0.111 0.000 1.381 355 G CA 0.235 45.386 45.100 0.085 0.000 0.853 355 G HN 0.677 nan 8.290 nan 0.000 0.545 356 R N -0.703 119.860 120.500 0.106 0.000 2.056 356 R HA 0.156 4.497 4.340 0.002 0.000 0.227 356 R C 2.246 178.539 176.300 -0.012 0.000 1.149 356 R CA 2.180 58.293 56.100 0.020 0.000 0.937 356 R CB -0.144 30.156 30.300 -0.001 0.000 0.835 356 R HN 0.468 nan 8.270 nan 0.000 0.430 357 F N -0.373 119.720 119.950 0.238 0.000 2.557 357 F HA 0.221 4.749 4.527 0.002 0.000 0.278 357 F C 0.829 176.666 175.800 0.062 0.000 1.051 357 F CA -0.282 57.808 58.000 0.150 0.000 1.357 357 F CB 0.407 39.485 39.000 0.130 0.000 1.104 357 F HN -0.106 nan 8.300 nan 0.000 0.654 358 R N -0.195 120.452 120.500 0.246 0.000 2.836 358 R HA 0.552 4.894 4.340 0.002 0.000 0.269 358 R C -3.144 173.211 176.300 0.092 0.000 1.010 358 R CA -2.186 53.973 56.100 0.098 0.000 0.930 358 R CB 0.206 30.503 30.300 -0.005 0.000 1.218 358 R HN -0.308 nan 8.270 nan 0.000 0.473 359 P HA -0.052 nan 4.420 nan 0.000 0.266 359 P C -0.345 176.971 177.300 0.028 0.000 1.193 359 P CA 0.055 63.170 63.100 0.025 0.000 0.770 359 P CB 0.630 32.319 31.700 -0.018 0.000 0.836 360 S N 1.090 116.817 115.700 0.044 0.000 2.593 360 S HA 0.164 4.635 4.470 0.002 0.000 0.269 360 S C 0.047 174.660 174.600 0.020 0.000 1.334 360 S CA -0.730 57.511 58.200 0.068 0.000 1.015 360 S CB 0.357 63.618 63.200 0.101 0.000 0.912 360 S HN 0.577 nan 8.310 nan 0.000 0.541 361 E N 1.441 121.669 120.200 0.046 0.000 2.283 361 E HA 0.424 4.776 4.350 0.002 0.000 0.278 361 E C -2.602 173.979 176.600 -0.031 0.000 1.027 361 E CA -2.171 54.213 56.400 -0.027 0.000 0.843 361 E CB 0.469 30.156 29.700 -0.022 0.000 1.062 361 E HN 0.424 nan 8.360 nan 0.000 0.401 362 P HA 0.105 nan 4.420 nan 0.000 0.278 362 P C -1.001 176.199 177.300 -0.166 0.000 1.238 362 P CA -0.193 62.758 63.100 -0.248 0.000 0.794 362 P CB 0.662 31.812 31.700 -0.917 0.000 0.955 363 H N 2.038 121.127 119.070 0.033 0.000 2.685 363 H HA 0.280 4.838 4.556 0.002 0.000 0.307 363 H C -0.247 175.215 175.328 0.224 0.000 1.017 363 H CA -0.387 55.766 56.048 0.175 0.000 1.237 363 H CB 0.254 30.143 29.762 0.212 0.000 1.409 363 H HN 0.316 nan 8.280 nan 0.000 0.488 364 F N 2.057 122.191 119.950 0.306 0.000 2.429 364 F HA 0.017 4.546 4.527 0.002 0.000 0.348 364 F C 1.633 177.622 175.800 0.315 0.000 1.109 364 F CA -0.349 57.836 58.000 0.307 0.000 1.232 364 F CB 0.926 40.041 39.000 0.191 0.000 1.157 364 F HN 0.393 nan 8.300 nan 0.000 0.564 365 T N 0.976 115.827 114.554 0.494 0.000 2.802 365 T HA 0.063 4.415 4.350 0.002 0.000 0.305 365 T C 1.250 176.139 174.700 0.316 0.000 1.053 365 T CA -0.776 61.555 62.100 0.385 0.000 1.058 365 T CB 0.676 69.749 68.868 0.342 0.000 0.988 365 T HN 0.634 nan 8.240 nan 0.000 0.539 366 L N 1.199 122.566 121.223 0.240 0.000 2.030 366 L HA -0.217 4.124 4.340 0.002 0.000 0.222 366 L C 2.252 179.227 176.870 0.175 0.000 1.082 366 L CA 2.685 57.637 54.840 0.187 0.000 0.785 366 L CB -0.852 41.295 42.059 0.147 0.000 0.895 366 L HN 0.977 nan 8.230 nan 0.000 0.439 367 D N -1.340 119.163 120.400 0.172 0.000 2.363 367 D HA 0.026 4.667 4.640 0.002 0.000 0.226 367 D C 1.584 177.980 176.300 0.161 0.000 1.020 367 D CA 0.758 54.846 54.000 0.147 0.000 0.892 367 D CB -0.590 40.286 40.800 0.127 0.000 0.900 367 D HN 0.524 nan 8.370 nan 0.000 0.531 368 G N 0.923 109.853 108.800 0.216 0.000 2.212 368 G HA2 -0.407 3.554 3.960 0.002 0.000 0.267 368 G HA3 -0.407 3.554 3.960 0.002 0.000 0.267 368 G C 0.739 175.819 174.900 0.300 0.000 1.002 368 G CA 0.675 45.916 45.100 0.236 0.000 0.729 368 G HN 0.532 nan 8.290 nan 0.000 0.517 369 N N -0.370 118.487 118.700 0.262 0.000 2.325 369 N HA 0.278 5.019 4.740 0.002 0.000 0.182 369 N C 0.841 176.468 175.510 0.195 0.000 1.088 369 N CA 0.597 53.775 53.050 0.212 0.000 0.879 369 N CB 0.325 38.891 38.487 0.132 0.000 0.983 369 N HN 0.559 nan 8.380 nan 0.000 0.471 370 S N -0.157 115.674 115.700 0.218 0.000 2.685 370 S HA 0.756 5.227 4.470 0.002 0.000 0.282 370 S C -1.059 173.610 174.600 0.114 0.000 1.159 370 S CA -1.033 57.179 58.200 0.020 0.000 0.833 370 S CB 1.693 64.725 63.200 -0.279 0.000 1.151 370 S HN 0.200 nan 8.310 nan 0.000 0.485 371 F N -2.220 117.549 119.950 -0.302 0.000 2.693 371 F HA 0.767 5.295 4.527 0.002 0.000 0.309 371 F C -2.415 173.202 175.800 -0.305 0.000 1.129 371 F CA -1.551 56.224 58.000 -0.376 0.000 0.948 371 F CB 0.618 39.007 39.000 -1.018 0.000 1.315 371 F HN 0.565 nan 8.300 nan 0.000 0.447 372 Y N 1.503 121.957 120.300 0.257 0.000 2.352 372 Y HA 0.667 5.219 4.550 0.003 0.000 0.339 372 Y C -0.451 175.625 175.900 0.293 0.000 0.992 372 Y CA -0.822 57.412 58.100 0.224 0.000 1.100 372 Y CB 1.978 40.516 38.460 0.129 0.000 1.192 372 Y HN 0.702 nan 8.280 nan 0.000 0.458 373 K N 1.302 121.945 120.400 0.406 0.000 2.508 373 K HA 0.700 5.021 4.320 0.002 0.000 0.260 373 K C -1.597 175.140 176.600 0.228 0.000 0.949 373 K CA -0.805 55.659 56.287 0.295 0.000 0.834 373 K CB 1.830 34.445 32.500 0.192 0.000 1.365 373 K HN 0.533 nan 8.250 nan 0.000 0.437 374 I N 3.465 124.137 120.570 0.170 0.000 2.471 374 I HA 0.229 4.401 4.170 0.002 0.000 0.286 374 I C 0.222 176.422 176.117 0.139 0.000 1.079 374 I CA -0.257 61.121 61.300 0.131 0.000 1.398 374 I CB 0.018 38.074 38.000 0.094 0.000 1.403 374 I HN 0.609 nan 8.210 nan 0.000 0.530 375 I N 1.668 122.346 120.570 0.180 0.000 3.145 375 I HA 0.532 4.703 4.170 0.002 0.000 0.313 375 I C -0.239 175.991 176.117 0.189 0.000 1.122 375 I CA -0.863 60.542 61.300 0.176 0.000 0.987 375 I CB 2.083 40.200 38.000 0.194 0.000 1.236 375 I HN 0.337 nan 8.210 nan 0.000 0.453 376 S N 2.258 118.019 115.700 0.102 0.000 2.505 376 S HA 0.270 4.742 4.470 0.002 0.000 0.276 376 S C 0.196 174.832 174.600 0.061 0.000 1.274 376 S CA -0.311 57.896 58.200 0.012 0.000 1.053 376 S CB -0.308 62.846 63.200 -0.076 0.000 0.919 376 S HN 0.645 nan 8.310 nan 0.000 0.490 377 N N 2.623 121.262 118.700 -0.102 0.000 2.178 377 N HA -0.009 4.733 4.740 0.002 0.000 0.222 377 N C 1.104 176.529 175.510 -0.142 0.000 1.350 377 N CA 0.038 52.905 53.050 -0.306 0.000 0.874 377 N CB 0.102 38.395 38.487 -0.323 0.000 1.086 377 N HN 0.703 nan 8.380 nan 0.000 0.452 378 E N 0.345 120.442 120.200 -0.171 0.000 2.216 378 E HA -0.019 4.333 4.350 0.002 0.000 0.192 378 E C 0.697 177.248 176.600 -0.082 0.000 0.988 378 E CA 0.891 57.237 56.400 -0.091 0.000 0.834 378 E CB 0.101 29.751 29.700 -0.083 0.000 0.772 378 E HN 0.472 nan 8.360 nan 0.000 0.479 379 E N -0.944 119.205 120.200 -0.084 0.000 2.502 379 E HA 0.037 4.388 4.350 0.002 0.000 0.194 379 E C 0.555 177.143 176.600 -0.021 0.000 1.062 379 E CA 0.499 56.907 56.400 0.013 0.000 0.867 379 E CB 0.244 30.006 29.700 0.102 0.000 0.888 379 E HN 0.352 nan 8.360 nan 0.000 0.510 380 G N 1.204 109.931 108.800 -0.122 0.000 2.147 380 G HA2 -0.282 3.679 3.960 0.002 0.000 0.244 380 G HA3 -0.282 3.679 3.960 0.002 0.000 0.244 380 G C -0.379 174.263 174.900 -0.429 0.000 1.005 380 G CA 0.144 45.078 45.100 -0.277 0.000 0.713 380 G HN 0.213 nan 8.290 nan 0.000 0.515 381 Y N -0.269 119.897 120.300 -0.224 0.000 2.360 381 Y HA 0.631 5.183 4.550 0.002 0.000 0.337 381 Y C 1.127 176.857 175.900 -0.283 0.000 1.039 381 Y CA -0.956 56.992 58.100 -0.253 0.000 1.109 381 Y CB 1.177 39.502 38.460 -0.224 0.000 1.201 381 Y HN 0.092 nan 8.280 nan 0.000 0.458 382 R N 3.623 123.976 120.500 -0.244 0.000 2.216 382 R HA 0.314 4.655 4.340 0.002 0.000 0.332 382 R C -0.828 175.149 176.300 -0.538 0.000 1.056 382 R CA -0.170 55.782 56.100 -0.246 0.000 0.901 382 R CB 0.210 30.418 30.300 -0.153 0.000 1.039 382 R HN 0.672 nan 8.270 nan 0.000 0.456 383 H N 1.698 120.728 119.070 -0.067 0.000 2.977 383 H HA 0.342 4.900 4.556 0.002 0.000 0.350 383 H C -0.283 175.079 175.328 0.056 0.000 1.238 383 H CA -0.910 55.071 56.048 -0.110 0.000 1.124 383 H CB 1.637 31.259 29.762 -0.233 0.000 1.866 383 H HN 0.330 nan 8.280 nan 0.000 0.550 384 I N 1.434 122.068 120.570 0.105 0.000 2.337 384 I HA 0.073 4.244 4.170 0.002 0.000 0.291 384 I C 0.329 176.462 176.117 0.026 0.000 1.046 384 I CA -0.018 61.309 61.300 0.045 0.000 1.324 384 I CB 0.321 38.267 38.000 -0.090 0.000 1.409 384 I HN 0.121 nan 8.210 nan 0.000 0.494 385 c N 7.255 125.812 118.600 -0.071 0.000 2.341 385 c HA 0.377 4.948 4.570 0.002 0.000 0.338 385 c C -0.242 173.698 174.090 -0.250 0.000 1.257 385 c CA -0.402 55.663 56.329 -0.439 0.000 1.883 385 c CB 0.587 42.551 42.510 -0.910 0.000 2.334 385 c HN 0.612 nan 8.230 nan 0.000 0.524 386 Y N 5.016 124.974 120.300 -0.569 0.000 2.341 386 Y HA 0.625 5.177 4.550 0.002 0.000 0.340 386 Y C -0.863 174.571 175.900 -0.776 0.000 0.997 386 Y CA -0.837 56.886 58.100 -0.628 0.000 1.149 386 Y CB 0.147 38.349 38.460 -0.430 0.000 1.171 386 Y HN 0.614 nan 8.280 nan 0.000 0.494 387 F N 3.314 122.547 119.950 -1.195 0.000 2.507 387 F HA 0.512 5.041 4.527 0.002 0.000 0.327 387 F C -0.201 174.937 175.800 -1.103 0.000 1.068 387 F CA -0.882 56.401 58.000 -1.195 0.000 0.965 387 F CB 1.705 39.605 39.000 -1.833 0.000 1.192 387 F HN 0.306 nan 8.300 nan 0.000 0.476 388 Q N 1.498 121.010 119.800 -0.481 0.000 2.274 388 Q HA 0.410 4.752 4.340 0.002 0.000 0.260 388 Q C 1.026 177.034 176.000 0.014 0.000 0.974 388 Q CA -0.405 55.245 55.803 -0.254 0.000 0.876 388 Q CB 1.710 30.333 28.738 -0.192 0.000 1.297 388 Q HN 0.675 nan 8.270 nan 0.000 0.446 389 I N -1.272 119.377 120.570 0.132 0.000 2.493 389 I HA -0.108 4.063 4.170 0.002 0.000 0.254 389 I C 0.542 176.843 176.117 0.307 0.000 1.160 389 I CA 1.367 62.876 61.300 0.348 0.000 1.445 389 I CB -0.048 38.153 38.000 0.335 0.000 1.086 389 I HN 0.504 nan 8.210 nan 0.000 0.433 390 D N 0.242 120.730 120.400 0.147 0.000 2.395 390 D HA 0.125 4.767 4.640 0.002 0.000 0.213 390 D C 0.338 176.658 176.300 0.033 0.000 1.110 390 D CA -0.145 53.891 54.000 0.060 0.000 0.835 390 D CB 0.043 40.864 40.800 0.036 0.000 0.965 390 D HN 0.190 nan 8.370 nan 0.000 0.505 391 K N 0.767 121.216 120.400 0.083 0.000 2.339 391 K HA 0.277 4.599 4.320 0.002 0.000 0.264 391 K C 0.741 177.406 176.600 0.109 0.000 0.986 391 K CA -0.589 55.719 56.287 0.037 0.000 0.866 391 K CB 1.419 33.899 32.500 -0.033 0.000 1.103 391 K HN -0.204 nan 8.250 nan 0.000 0.441 392 K N 0.649 121.070 120.400 0.035 0.000 2.097 392 K HA 0.025 4.347 4.320 0.002 0.000 0.205 392 K C -0.112 176.531 176.600 0.072 0.000 1.050 392 K CA 1.069 57.394 56.287 0.062 0.000 0.938 392 K CB -0.017 32.479 32.500 -0.007 0.000 0.718 392 K HN 0.381 nan 8.250 nan 0.000 0.442 393 D N 0.864 121.240 120.400 -0.041 0.000 2.210 393 D HA 0.156 4.797 4.640 0.002 0.000 0.249 393 D C 0.045 176.153 176.300 -0.321 0.000 1.062 393 D CA -0.542 53.372 54.000 -0.143 0.000 0.891 393 D CB 1.270 42.002 40.800 -0.112 0.000 1.186 393 D HN 0.394 nan 8.370 nan 0.000 0.432 394 c N 0.021 118.278 118.600 -0.572 0.000 2.423 394 c HA 0.828 5.400 4.570 0.002 0.000 0.378 394 c C 0.181 173.893 174.090 -0.630 0.000 1.244 394 c CA -0.548 55.231 56.329 -0.918 0.000 1.978 394 c CB 1.242 42.567 42.510 -1.975 0.000 2.252 394 c HN 0.464 nan 8.230 nan 0.000 0.526 395 T N 1.765 115.986 114.554 -0.555 0.000 2.815 395 T HA 0.476 4.828 4.350 0.002 0.000 0.289 395 T C -0.758 173.756 174.700 -0.311 0.000 1.000 395 T CA 0.147 62.080 62.100 -0.278 0.000 0.958 395 T CB 0.205 69.047 68.868 -0.043 0.000 0.944 395 T HN 0.482 nan 8.240 nan 0.000 0.442 396 F N 3.424 123.257 119.950 -0.195 0.000 2.538 396 F HA 0.231 4.759 4.527 0.002 0.000 0.371 396 F C 1.613 177.235 175.800 -0.297 0.000 1.087 396 F CA -0.567 57.297 58.000 -0.226 0.000 1.250 396 F CB 0.455 39.324 39.000 -0.218 0.000 1.110 396 F HN 0.587 nan 8.300 nan 0.000 0.570 397 I N -0.575 119.848 120.570 -0.245 0.000 4.057 397 I HA 0.250 4.421 4.170 0.002 0.000 0.334 397 I C 0.149 176.055 176.117 -0.352 0.000 1.308 397 I CA 0.090 61.007 61.300 -0.639 0.000 1.125 397 I CB 0.077 37.444 38.000 -1.055 0.000 1.034 397 I HN 0.489 nan 8.210 nan 0.000 0.401 398 T N -0.105 114.313 114.554 -0.226 0.000 2.901 398 T HA 0.760 5.111 4.350 0.002 0.000 0.293 398 T C -0.684 173.616 174.700 -0.667 0.000 1.084 398 T CA -0.697 61.244 62.100 -0.265 0.000 1.008 398 T CB 2.604 71.380 68.868 -0.152 0.000 1.170 398 T HN 0.477 nan 8.240 nan 0.000 0.509 399 K N -0.531 119.339 120.400 -0.883 0.000 2.617 399 K HA 0.832 5.154 4.320 0.002 0.000 0.293 399 K C -0.277 175.765 176.600 -0.931 0.000 1.034 399 K CA -0.828 54.698 56.287 -1.268 0.000 0.884 399 K CB 1.127 33.237 32.500 -0.651 0.000 1.541 399 K HN 1.613 nan 8.250 nan 0.000 0.409 400 G N -0.220 108.101 108.800 -0.797 0.000 2.381 400 G HA2 0.045 4.006 3.960 0.002 0.000 0.672 400 G HA3 0.045 4.006 3.960 0.002 0.000 0.672 400 G C -0.638 173.807 174.900 -0.758 0.000 1.324 400 G CA -0.436 44.370 45.100 -0.491 0.000 0.975 400 G HN 1.165 nan 8.290 nan 0.000 0.593 401 T N -0.481 113.796 114.554 -0.461 0.000 4.098 401 T HA 0.557 4.908 4.350 0.002 0.000 0.291 401 T C 0.267 174.891 174.700 -0.127 0.000 1.440 401 T CA 0.751 62.431 62.100 -0.701 0.000 1.164 401 T CB -0.954 67.707 68.868 -0.346 0.000 1.313 401 T HN 1.687 nan 8.240 nan 0.000 0.951 402 W N -0.371 120.791 121.300 -0.230 0.000 2.881 402 W HA 0.620 5.282 4.660 0.002 0.000 0.380 402 W C -1.639 174.867 176.519 -0.023 0.000 1.170 402 W CA -0.963 56.370 57.345 -0.020 0.000 1.171 402 W CB 0.564 29.997 29.460 -0.045 0.000 1.464 402 W HN 0.212 nan 8.180 nan 0.000 0.574 403 E N 0.799 121.115 120.200 0.194 0.000 2.340 403 E HA 0.423 4.774 4.350 0.002 0.000 0.273 403 E C -1.177 175.467 176.600 0.072 0.000 0.891 403 E CA -1.144 55.165 56.400 -0.152 0.000 0.757 403 E CB 3.438 33.128 29.700 -0.017 0.000 1.231 403 E HN 0.172 nan 8.360 nan 0.000 0.439 404 V N 4.262 124.084 119.914 -0.154 0.000 2.470 404 V HA -0.014 4.108 4.120 0.002 0.000 0.276 404 V C 1.290 177.443 176.094 0.097 0.000 1.040 404 V CA 0.091 62.419 62.300 0.047 0.000 1.008 404 V CB 0.361 32.110 31.823 -0.123 0.000 0.990 404 V HN 0.697 nan 8.190 nan 0.000 0.477 405 I N 3.445 124.111 120.570 0.159 0.000 2.277 405 I HA 0.204 4.375 4.170 0.002 0.000 0.243 405 I C 1.156 177.376 176.117 0.171 0.000 1.094 405 I CA 1.296 62.685 61.300 0.148 0.000 1.393 405 I CB -0.825 37.199 38.000 0.039 0.000 1.078 405 I HN 0.738 nan 8.210 nan 0.000 0.417 406 G N 0.578 109.484 108.800 0.177 0.000 2.703 406 G HA2 0.556 4.518 3.960 0.002 0.000 0.294 406 G HA3 0.556 4.518 3.960 0.002 0.000 0.294 406 G C -1.141 173.867 174.900 0.180 0.000 1.451 406 G CA -0.545 44.663 45.100 0.181 0.000 0.869 406 G HN -0.022 nan 8.290 nan 0.000 0.516 407 I N 1.684 122.326 120.570 0.120 0.000 2.416 407 I HA 0.213 4.384 4.170 0.002 0.000 0.288 407 I C 0.727 176.838 176.117 -0.011 0.000 1.051 407 I CA -0.442 60.841 61.300 -0.030 0.000 1.375 407 I CB 1.584 39.371 38.000 -0.354 0.000 1.407 407 I HN 0.511 nan 8.210 nan 0.000 0.516 408 E N 4.933 125.154 120.200 0.035 0.000 2.290 408 E HA 0.323 4.674 4.350 0.002 0.000 0.197 408 E C 0.133 176.717 176.600 -0.028 0.000 0.948 408 E CA 0.235 56.705 56.400 0.116 0.000 0.895 408 E CB 0.848 30.703 29.700 0.259 0.000 0.865 408 E HN 0.679 nan 8.360 nan 0.000 0.486 409 A N 0.808 123.504 122.820 -0.207 0.000 2.577 409 A HA 0.557 4.878 4.320 0.002 0.000 0.297 409 A C -1.933 175.570 177.584 -0.136 0.000 1.060 409 A CA -0.653 51.201 52.037 -0.305 0.000 0.697 409 A CB 1.206 19.599 19.000 -1.011 0.000 1.281 409 A HN 0.049 nan 8.150 nan 0.000 0.402 410 L N 2.220 123.419 121.223 -0.040 0.000 2.349 410 L HA 0.765 5.106 4.340 0.002 0.000 0.278 410 L C 0.449 177.352 176.870 0.055 0.000 0.996 410 L CA 0.349 55.191 54.840 0.002 0.000 0.825 410 L CB 1.766 43.872 42.059 0.077 0.000 1.243 410 L HN 1.027 nan 8.230 nan 0.000 0.412 411 T N -0.039 114.558 114.554 0.071 0.000 2.910 411 T HA 0.359 4.711 4.350 0.002 0.000 0.279 411 T C 1.189 175.934 174.700 0.076 0.000 0.989 411 T CA 0.012 62.169 62.100 0.094 0.000 0.968 411 T CB 1.091 70.050 68.868 0.152 0.000 1.135 411 T HN 0.626 nan 8.240 nan 0.000 0.562 412 S N -0.964 114.783 115.700 0.078 0.000 2.474 412 S HA -0.093 4.378 4.470 0.002 0.000 0.235 412 S C 1.166 175.764 174.600 -0.003 0.000 0.997 412 S CA 1.087 59.325 58.200 0.063 0.000 0.949 412 S CB -0.467 62.772 63.200 0.066 0.000 0.766 412 S HN 0.748 nan 8.310 nan 0.000 0.517 413 D N -0.349 120.033 120.400 -0.031 0.000 2.566 413 D HA 0.263 4.904 4.640 0.002 0.000 0.253 413 D C -0.449 175.582 176.300 -0.448 0.000 0.992 413 D CA 0.506 54.394 54.000 -0.187 0.000 0.940 413 D CB 0.335 41.126 40.800 -0.015 0.000 1.095 413 D HN 0.422 nan 8.370 nan 0.000 0.480 414 Y N -0.182 120.040 120.300 -0.130 0.000 2.570 414 Y HA 0.461 5.013 4.550 0.003 0.000 0.345 414 Y C -0.402 175.285 175.900 -0.355 0.000 1.014 414 Y CA -1.215 56.703 58.100 -0.303 0.000 1.063 414 Y CB 1.987 40.128 38.460 -0.532 0.000 1.272 414 Y HN -0.189 nan 8.280 nan 0.000 0.477 415 L N 3.188 124.260 121.223 -0.251 0.000 2.325 415 L HA 0.492 4.833 4.340 0.002 0.000 0.281 415 L C -1.924 174.800 176.870 -0.244 0.000 1.004 415 L CA -1.223 53.462 54.840 -0.258 0.000 0.823 415 L CB 0.122 41.959 42.059 -0.371 0.000 1.236 415 L HN 0.559 nan 8.230 nan 0.000 0.415 416 Y N 6.294 126.516 120.300 -0.130 0.000 2.328 416 Y HA 0.543 5.095 4.550 0.002 0.000 0.337 416 Y C -0.200 175.688 175.900 -0.020 0.000 1.008 416 Y CA -0.447 57.572 58.100 -0.134 0.000 1.129 416 Y CB 1.068 39.378 38.460 -0.250 0.000 1.185 416 Y HN 0.574 nan 8.280 nan 0.000 0.476 417 Y N 0.487 120.848 120.300 0.101 0.000 2.581 417 Y HA 0.830 5.382 4.550 0.002 0.000 0.345 417 Y C -1.385 174.599 175.900 0.140 0.000 1.036 417 Y CA -2.038 56.113 58.100 0.086 0.000 1.042 417 Y CB 1.145 39.631 38.460 0.044 0.000 1.289 417 Y HN 0.427 nan 8.280 nan 0.000 0.471 418 I N 2.957 123.688 120.570 0.268 0.000 2.498 418 I HA 0.634 4.806 4.170 0.002 0.000 0.301 418 I C -0.157 176.147 176.117 0.312 0.000 0.984 418 I CA -0.362 61.049 61.300 0.185 0.000 1.204 418 I CB 1.941 39.990 38.000 0.083 0.000 1.362 418 I HN 0.923 nan 8.210 nan 0.000 0.471 419 S N 2.866 118.723 115.700 0.262 0.000 2.656 419 S HA 0.380 4.851 4.470 0.002 0.000 0.273 419 S C -0.738 173.935 174.600 0.120 0.000 1.168 419 S CA -0.868 57.479 58.200 0.246 0.000 0.817 419 S CB 1.615 65.028 63.200 0.355 0.000 1.146 419 S HN 0.651 nan 8.310 nan 0.000 0.475 420 N N -0.452 118.320 118.700 0.119 0.000 2.389 420 N HA 0.200 4.942 4.740 0.002 0.000 0.260 420 N C 0.487 175.984 175.510 -0.021 0.000 1.191 420 N CA -0.380 52.692 53.050 0.036 0.000 0.885 420 N CB 0.354 38.845 38.487 0.006 0.000 1.162 420 N HN 0.761 nan 8.380 nan 0.000 0.512 421 E N -0.206 119.835 120.200 -0.265 0.000 2.072 421 E HA -0.177 4.174 4.350 0.002 0.000 0.191 421 E C -0.391 176.068 176.600 -0.236 0.000 0.985 421 E CA 0.373 56.370 56.400 -0.671 0.000 0.801 421 E CB -0.043 28.720 29.700 -1.562 0.000 0.750 421 E HN 0.407 nan 8.360 nan 0.000 0.452 422 Y N 1.889 122.097 120.300 -0.153 0.000 2.881 422 Y HA -0.173 4.378 4.550 0.002 0.000 0.335 422 Y C 0.553 176.411 175.900 -0.069 0.000 1.263 422 Y CA 0.906 58.964 58.100 -0.070 0.000 1.572 422 Y CB 0.034 38.482 38.460 -0.020 0.000 1.237 422 Y HN 0.071 nan 8.280 nan 0.000 0.568 423 K N 3.376 123.489 120.400 -0.479 0.000 3.193 423 K HA -0.245 4.076 4.320 0.002 0.000 0.294 423 K C 0.810 177.319 176.600 -0.152 0.000 1.185 423 K CA 0.914 56.962 56.287 -0.399 0.000 0.866 423 K CB -1.605 30.584 32.500 -0.518 0.000 1.227 423 K HN 1.295 nan 8.250 nan 0.000 0.467 424 G N 0.564 109.296 108.800 -0.115 0.000 2.249 424 G HA2 -0.327 3.635 3.960 0.002 0.000 0.273 424 G HA3 -0.327 3.635 3.960 0.002 0.000 0.273 424 G C -0.010 174.864 174.900 -0.043 0.000 1.036 424 G CA 0.796 45.874 45.100 -0.037 0.000 0.824 424 G HN 0.316 nan 8.290 nan 0.000 0.504 425 M N -0.218 119.297 119.600 -0.142 0.000 2.080 425 M HA 0.243 4.725 4.480 0.002 0.000 0.350 425 M C -1.491 174.574 176.300 -0.391 0.000 1.143 425 M CA -1.934 53.137 55.300 -0.380 0.000 1.064 425 M CB 1.611 34.050 32.600 -0.268 0.000 1.429 425 M HN -0.156 nan 8.290 nan 0.000 0.418 426 P HA -0.082 nan 4.420 nan 0.000 0.222 426 P C 1.182 178.335 177.300 -0.246 0.000 1.147 426 P CA 0.989 63.903 63.100 -0.310 0.000 0.790 426 P CB 0.221 31.721 31.700 -0.333 0.000 0.780 427 G N -1.202 107.390 108.800 -0.346 0.000 3.284 427 G HA2 0.335 4.296 3.960 0.002 0.000 0.236 427 G HA3 0.335 4.296 3.960 0.002 0.000 0.236 427 G C 0.528 175.447 174.900 0.032 0.000 1.158 427 G CA 0.025 45.058 45.100 -0.112 0.000 0.774 427 G HN 0.366 nan 8.290 nan 0.000 0.545 428 G N -0.213 108.544 108.800 -0.072 0.000 2.511 428 G HA2 0.664 4.626 3.960 0.002 0.000 0.318 428 G HA3 0.664 4.626 3.960 0.002 0.000 0.318 428 G C -1.004 173.775 174.900 -0.202 0.000 1.210 428 G CA -0.788 44.289 45.100 -0.037 0.000 0.969 428 G HN 0.063 nan 8.290 nan 0.000 0.484 429 R N 1.066 121.399 120.500 -0.278 0.000 2.533 429 R HA 0.418 4.760 4.340 0.002 0.000 0.288 429 R C -1.246 175.012 176.300 -0.070 0.000 1.039 429 R CA -0.778 55.135 56.100 -0.313 0.000 0.909 429 R CB 2.021 31.876 30.300 -0.743 0.000 1.195 429 R HN 0.613 nan 8.270 nan 0.000 0.438 430 N N 1.716 120.404 118.700 -0.019 0.000 2.262 430 N HA 0.340 5.081 4.740 0.002 0.000 0.295 430 N C -1.141 174.246 175.510 -0.205 0.000 1.161 430 N CA -0.852 52.101 53.050 -0.162 0.000 0.767 430 N CB 2.733 41.010 38.487 -0.349 0.000 1.499 430 N HN 0.236 nan 8.380 nan 0.000 0.476 431 L N 2.032 122.977 121.223 -0.463 0.000 2.305 431 L HA 0.450 4.792 4.340 0.002 0.000 0.281 431 L C -1.386 175.107 176.870 -0.628 0.000 1.085 431 L CA 0.059 54.653 54.840 -0.411 0.000 0.813 431 L CB -0.109 41.679 42.059 -0.452 0.000 1.157 431 L HN 0.408 nan 8.230 nan 0.000 0.436 432 Y N 3.529 123.476 120.300 -0.588 0.000 2.570 432 Y HA 0.610 5.162 4.550 0.002 0.000 0.345 432 Y C -0.392 175.152 175.900 -0.594 0.000 1.014 432 Y CA -0.782 56.907 58.100 -0.686 0.000 1.063 432 Y CB 1.737 39.548 38.460 -1.082 0.000 1.272 432 Y HN 0.575 nan 8.280 nan 0.000 0.477 433 K N 2.014 122.250 120.400 -0.272 0.000 2.371 433 K HA 0.802 5.123 4.320 0.002 0.000 0.251 433 K C -1.897 174.676 176.600 -0.046 0.000 0.934 433 K CA -0.822 55.266 56.287 -0.332 0.000 0.798 433 K CB 2.795 34.877 32.500 -0.698 0.000 1.204 433 K HN 0.741 nan 8.250 nan 0.000 0.427 434 I N 1.480 122.090 120.570 0.068 0.000 2.478 434 I HA 0.159 4.331 4.170 0.002 0.000 0.287 434 I C -0.874 175.314 176.117 0.117 0.000 1.042 434 I CA -0.574 60.826 61.300 0.166 0.000 1.067 434 I CB 2.091 40.220 38.000 0.216 0.000 1.233 434 I HN 0.790 nan 8.210 nan 0.000 0.431 435 Q N 5.360 125.214 119.800 0.090 0.000 2.286 435 Q HA 0.105 4.446 4.340 0.002 0.000 0.267 435 Q C 0.283 176.193 176.000 -0.150 0.000 1.028 435 Q CA -0.379 55.284 55.803 -0.234 0.000 0.901 435 Q CB 1.150 29.799 28.738 -0.148 0.000 1.183 435 Q HN 0.742 nan 8.270 nan 0.000 0.392 436 L N 2.903 123.970 121.223 -0.260 0.000 2.275 436 L HA -0.140 4.202 4.340 0.002 0.000 0.215 436 L C 2.206 178.995 176.870 -0.135 0.000 1.119 436 L CA 1.526 56.302 54.840 -0.107 0.000 0.790 436 L CB -0.823 41.145 42.059 -0.153 0.000 0.919 436 L HN 0.662 nan 8.230 nan 0.000 0.443 437 S N -2.689 112.885 115.700 -0.209 0.000 2.528 437 S HA 0.034 4.505 4.470 0.002 0.000 0.219 437 S C 0.535 174.967 174.600 -0.279 0.000 0.985 437 S CA 0.066 58.133 58.200 -0.221 0.000 0.914 437 S CB 0.107 63.205 63.200 -0.170 0.000 0.776 437 S HN 0.352 nan 8.310 nan 0.000 0.526 438 D N -0.172 120.078 120.400 -0.250 0.000 2.365 438 D HA 0.261 4.902 4.640 0.002 0.000 0.235 438 D C -0.578 175.687 176.300 -0.058 0.000 1.368 438 D CA -0.581 53.291 54.000 -0.212 0.000 1.001 438 D CB 0.345 41.076 40.800 -0.115 0.000 1.364 438 D HN -0.031 nan 8.370 nan 0.000 0.577 439 Y N 1.277 121.551 120.300 -0.044 0.000 2.574 439 Y HA -0.012 4.539 4.550 0.002 0.000 0.294 439 Y C 2.369 178.270 175.900 0.002 0.000 1.142 439 Y CA 0.574 58.659 58.100 -0.025 0.000 1.314 439 Y CB -0.593 37.851 38.460 -0.026 0.000 0.991 439 Y HN 0.325 nan 8.280 nan 0.000 0.555 440 T N -0.166 114.455 114.554 0.113 0.000 2.995 440 T HA -0.066 4.286 4.350 0.002 0.000 0.269 440 T C 0.781 175.527 174.700 0.076 0.000 1.091 440 T CA 0.891 63.036 62.100 0.075 0.000 1.128 440 T CB -0.148 68.737 68.868 0.029 0.000 0.891 440 T HN 0.191 nan 8.240 nan 0.000 0.492 441 K N 2.104 122.553 120.400 0.081 0.000 2.356 441 K HA 0.436 4.757 4.320 0.002 0.000 0.243 441 K C -1.061 175.610 176.600 0.118 0.000 1.072 441 K CA -0.238 56.099 56.287 0.083 0.000 1.014 441 K CB 1.553 34.094 32.500 0.069 0.000 1.523 441 K HN 0.028 nan 8.250 nan 0.000 0.455 442 V N 2.062 122.047 119.914 0.118 0.000 2.384 442 V HA 0.396 4.518 4.120 0.002 0.000 0.287 442 V C -0.827 175.334 176.094 0.111 0.000 1.020 442 V CA -0.056 62.331 62.300 0.145 0.000 0.850 442 V CB 1.605 33.546 31.823 0.198 0.000 0.987 442 V HN 0.569 nan 8.190 nan 0.000 0.436 443 T N 6.130 120.716 114.554 0.055 0.000 2.797 443 T HA 0.323 4.674 4.350 0.002 0.000 0.279 443 T C -0.313 174.300 174.700 -0.144 0.000 0.991 443 T CA -0.290 61.788 62.100 -0.037 0.000 0.979 443 T CB 1.076 69.894 68.868 -0.083 0.000 0.943 443 T HN 0.933 nan 8.240 nan 0.000 0.444 444 C N 5.027 124.158 119.300 -0.282 0.000 2.499 444 C HA 0.420 4.881 4.460 0.002 0.000 0.386 444 C C 1.581 176.222 174.990 -0.581 0.000 1.293 444 C CA -0.595 57.962 59.018 -0.769 0.000 1.884 444 C CB -1.764 25.419 27.740 -0.928 0.000 2.509 444 C HN 1.002 nan 8.230 nan 0.000 0.566 445 L N 4.810 125.660 121.223 -0.622 0.000 2.529 445 L HA 0.099 4.440 4.340 0.002 0.000 0.223 445 L C 2.112 178.650 176.870 -0.552 0.000 1.113 445 L CA 0.861 55.425 54.840 -0.460 0.000 0.861 445 L CB -0.213 41.622 42.059 -0.373 0.000 1.012 445 L HN 0.917 nan 8.230 nan 0.000 0.461 446 S N -3.047 112.209 115.700 -0.739 0.000 2.619 446 S HA -0.037 4.435 4.470 0.002 0.000 0.238 446 S C 1.881 176.067 174.600 -0.690 0.000 1.068 446 S CA 0.059 57.721 58.200 -0.898 0.000 0.926 446 S CB -0.320 61.948 63.200 -1.553 0.000 0.864 446 S HN 0.301 nan 8.310 nan 0.000 0.493 447 C N 2.081 120.932 119.300 -0.747 0.000 2.385 447 C HA -0.069 4.392 4.460 0.002 0.000 0.275 447 C C 2.520 177.195 174.990 -0.525 0.000 1.199 447 C CA 1.747 60.235 59.018 -0.883 0.000 1.782 447 C CB -1.165 25.787 27.740 -1.314 0.000 2.068 447 C HN 0.651 nan 8.230 nan 0.000 0.471 448 E N -0.376 119.606 120.200 -0.363 0.000 2.481 448 E HA 0.204 4.556 4.350 0.002 0.000 0.198 448 E C 1.870 178.411 176.600 -0.099 0.000 1.027 448 E CA -0.055 56.237 56.400 -0.179 0.000 0.900 448 E CB -0.203 29.409 29.700 -0.147 0.000 0.993 448 E HN 0.554 nan 8.360 nan 0.000 0.482 449 L N 0.225 121.384 121.223 -0.107 0.000 2.083 449 L HA -0.063 4.279 4.340 0.002 0.000 0.209 449 L C 0.741 177.619 176.870 0.014 0.000 1.083 449 L CA 0.931 55.752 54.840 -0.031 0.000 0.752 449 L CB 0.064 42.121 42.059 -0.002 0.000 0.899 449 L HN 0.096 nan 8.230 nan 0.000 0.433 450 N N -1.730 116.991 118.700 0.034 0.000 3.304 450 N HA 0.056 4.798 4.740 0.002 0.000 0.187 450 N C -2.226 173.315 175.510 0.051 0.000 1.482 450 N CA -0.620 52.453 53.050 0.037 0.000 0.785 450 N CB 0.738 39.246 38.487 0.035 0.000 1.619 450 N HN -0.199 nan 8.380 nan 0.000 0.624 451 P HA -0.065 nan 4.420 nan 0.000 0.223 451 P C 0.808 178.158 177.300 0.084 0.000 1.151 451 P CA 0.988 64.147 63.100 0.100 0.000 0.787 451 P CB 0.673 32.453 31.700 0.133 0.000 0.788 452 E N 0.281 120.511 120.200 0.050 0.000 2.047 452 E HA -0.158 4.193 4.350 0.002 0.000 0.191 452 E C 2.204 178.814 176.600 0.016 0.000 0.987 452 E CA 1.012 57.430 56.400 0.031 0.000 0.799 452 E CB -0.335 29.374 29.700 0.016 0.000 0.752 452 E HN 0.322 nan 8.360 nan 0.000 0.449 453 R N -0.300 120.200 120.500 -0.001 0.000 2.206 453 R HA 0.094 4.436 4.340 0.002 0.000 0.198 453 R C -0.069 176.195 176.300 -0.059 0.000 0.986 453 R CA 0.377 56.455 56.100 -0.037 0.000 1.029 453 R CB 0.583 30.851 30.300 -0.054 0.000 0.966 453 R HN 0.022 nan 8.270 nan 0.000 0.487 454 c N 0.997 119.572 118.600 -0.042 0.000 2.654 454 c HA 0.369 4.941 4.570 0.002 0.000 0.315 454 c C -0.065 174.007 174.090 -0.030 0.000 1.054 454 c CA -0.711 55.535 56.329 -0.138 0.000 1.419 454 c CB 1.297 43.691 42.510 -0.193 0.000 1.889 454 c HN 0.505 nan 8.230 nan 0.000 0.447 455 Q N 0.269 120.062 119.800 -0.012 0.000 2.164 455 Q HA 0.215 4.557 4.340 0.002 0.000 0.226 455 Q C -0.736 175.328 176.000 0.106 0.000 0.813 455 Q CA 0.199 56.067 55.803 0.108 0.000 0.978 455 Q CB 1.301 30.120 28.738 0.135 0.000 1.149 455 Q HN 0.770 nan 8.270 nan 0.000 0.489 456 Y N 0.382 120.575 120.300 -0.178 0.000 2.327 456 Y HA 0.387 4.939 4.550 0.003 0.000 0.325 456 Y C -1.569 174.153 175.900 -0.298 0.000 0.999 456 Y CA -1.104 56.908 58.100 -0.145 0.000 1.195 456 Y CB 0.868 39.259 38.460 -0.115 0.000 1.132 456 Y HN -0.080 nan 8.280 nan 0.000 0.455 457 Y N 2.753 122.966 120.300 -0.145 0.000 2.446 457 Y HA 0.586 5.138 4.550 0.003 0.000 0.345 457 Y C 0.093 175.927 175.900 -0.109 0.000 0.984 457 Y CA -0.618 57.416 58.100 -0.111 0.000 1.058 457 Y CB 2.245 40.605 38.460 -0.167 0.000 1.220 457 Y HN 0.563 nan 8.280 nan 0.000 0.455 458 S N 1.427 117.197 115.700 0.116 0.000 2.677 458 S HA 0.876 5.347 4.470 0.002 0.000 0.304 458 S C -1.495 173.150 174.600 0.075 0.000 1.108 458 S CA -0.789 57.465 58.200 0.090 0.000 0.944 458 S CB 1.976 65.241 63.200 0.108 0.000 1.127 458 S HN 0.539 nan 8.310 nan 0.000 0.511 459 V N 0.342 120.292 119.914 0.061 0.000 2.925 459 V HA 0.815 4.937 4.120 0.002 0.000 0.311 459 V C -1.113 175.020 176.094 0.066 0.000 1.104 459 V CA -0.352 61.943 62.300 -0.009 0.000 0.954 459 V CB 2.348 34.065 31.823 -0.176 0.000 1.022 459 V HN 1.099 nan 8.190 nan 0.000 0.427 460 S N 5.325 121.062 115.700 0.062 0.000 2.745 460 S HA 0.621 5.092 4.470 0.002 0.000 0.283 460 S C -1.046 173.710 174.600 0.261 0.000 1.170 460 S CA -0.399 57.949 58.200 0.247 0.000 1.119 460 S CB 0.204 63.610 63.200 0.343 0.000 1.035 460 S HN 0.487 nan 8.310 nan 0.000 0.483 461 F N 3.425 123.462 119.950 0.146 0.000 2.399 461 F HA 0.336 4.865 4.527 0.003 0.000 0.342 461 F C 1.531 176.956 175.800 -0.625 0.000 1.106 461 F CA -0.109 57.816 58.000 -0.126 0.000 1.196 461 F CB 1.097 39.993 39.000 -0.174 0.000 1.163 461 F HN 0.626 nan 8.300 nan 0.000 0.547 462 S N 2.866 117.869 115.700 -1.161 0.000 2.612 462 S HA 0.069 4.540 4.470 0.002 0.000 0.253 462 S C 1.290 175.612 174.600 -0.463 0.000 1.346 462 S CA -0.696 56.619 58.200 -1.475 0.000 0.976 462 S CB 0.663 63.033 63.200 -1.382 0.000 0.949 462 S HN 0.571 nan 8.310 nan 0.000 0.584 463 K N 0.873 121.120 120.400 -0.255 0.000 2.057 463 K HA -0.021 4.300 4.320 0.002 0.000 0.207 463 K C 1.205 177.775 176.600 -0.050 0.000 1.049 463 K CA 1.397 57.647 56.287 -0.063 0.000 0.931 463 K CB -0.396 32.117 32.500 0.022 0.000 0.714 463 K HN 0.693 nan 8.250 nan 0.000 0.440 464 E N -0.604 119.544 120.200 -0.086 0.000 2.499 464 E HA 0.227 4.579 4.350 0.002 0.000 0.199 464 E C 0.064 176.612 176.600 -0.088 0.000 1.016 464 E CA 0.078 56.445 56.400 -0.055 0.000 0.933 464 E CB 0.689 30.372 29.700 -0.030 0.000 1.050 464 E HN 0.215 nan 8.360 nan 0.000 0.462 465 A N 1.286 124.034 122.820 -0.120 0.000 2.945 465 A HA -0.313 4.009 4.320 0.002 0.000 0.251 465 A C 1.471 179.005 177.584 -0.083 0.000 1.355 465 A CA 1.585 53.572 52.037 -0.083 0.000 0.905 465 A CB -2.161 16.679 19.000 -0.267 0.000 1.104 465 A HN 0.273 nan 8.150 nan 0.000 0.733 466 K N -1.821 118.459 120.400 -0.200 0.000 2.147 466 K HA 0.027 4.349 4.320 0.002 0.000 0.205 466 K C 0.199 176.419 176.600 -0.632 0.000 1.049 466 K CA 1.783 57.832 56.287 -0.397 0.000 0.936 466 K CB -0.082 32.139 32.500 -0.466 0.000 0.722 466 K HN 0.709 nan 8.250 nan 0.000 0.446 467 Y N -1.457 118.736 120.300 -0.178 0.000 2.609 467 Y HA 0.331 4.883 4.550 0.003 0.000 0.342 467 Y C -1.059 174.770 175.900 -0.119 0.000 1.058 467 Y CA -1.365 56.644 58.100 -0.153 0.000 1.055 467 Y CB 1.744 40.163 38.460 -0.067 0.000 1.292 467 Y HN -0.044 nan 8.280 nan 0.000 0.476 468 Y N -1.155 119.161 120.300 0.026 0.000 2.519 468 Y HA 0.496 5.047 4.550 0.002 0.000 0.336 468 Y C -1.224 174.705 175.900 0.050 0.000 1.089 468 Y CA -1.398 56.582 58.100 -0.201 0.000 1.025 468 Y CB 1.422 39.247 38.460 -1.059 0.000 1.318 468 Y HN 0.600 nan 8.280 nan 0.000 0.452 469 Q N 3.747 123.699 119.800 0.253 0.000 2.256 469 Q HA 0.502 4.844 4.340 0.002 0.000 0.254 469 Q C -1.576 174.511 176.000 0.144 0.000 0.916 469 Q CA -0.646 55.245 55.803 0.147 0.000 0.932 469 Q CB 1.168 29.954 28.738 0.081 0.000 1.207 469 Q HN 0.939 nan 8.270 nan 0.000 0.426 470 L N 4.718 126.036 121.223 0.157 0.000 2.295 470 L HA 0.500 4.841 4.340 0.002 0.000 0.285 470 L C -0.315 176.591 176.870 0.060 0.000 1.035 470 L CA -0.584 54.337 54.840 0.136 0.000 0.806 470 L CB 1.295 43.436 42.059 0.137 0.000 1.214 470 L HN 0.616 nan 8.230 nan 0.000 0.426 471 R N 2.838 123.343 120.500 0.009 0.000 2.312 471 R HA 0.277 4.618 4.340 0.002 0.000 0.310 471 R C -0.760 175.352 176.300 -0.313 0.000 1.064 471 R CA -0.525 55.395 56.100 -0.299 0.000 0.983 471 R CB 1.238 31.420 30.300 -0.197 0.000 1.139 471 R HN 0.552 nan 8.270 nan 0.000 0.536 472 c N 2.744 121.055 118.600 -0.482 0.000 2.415 472 c HA 0.327 4.898 4.570 0.002 0.000 0.369 472 c C 1.605 175.449 174.090 -0.409 0.000 1.279 472 c CA -0.213 55.721 56.329 -0.658 0.000 1.886 472 c CB 0.160 42.251 42.510 -0.699 0.000 2.468 472 c HN 0.961 nan 8.230 nan 0.000 0.553 473 S N 3.781 119.327 115.700 -0.257 0.000 2.629 473 S HA 0.600 5.072 4.470 0.002 0.000 0.236 473 S C 0.416 174.978 174.600 -0.063 0.000 1.010 473 S CA 0.298 58.426 58.200 -0.121 0.000 0.981 473 S CB -0.031 63.133 63.200 -0.061 0.000 0.919 473 S HN 2.020 nan 8.310 nan 0.000 0.514 474 G N 1.338 110.087 108.800 -0.084 0.000 2.321 474 G HA2 0.409 4.371 3.960 0.002 0.000 0.298 474 G HA3 0.409 4.371 3.960 0.002 0.000 0.298 474 G C -3.171 171.718 174.900 -0.018 0.000 1.385 474 G CA -0.550 44.544 45.100 -0.010 0.000 0.856 474 G HN -0.081 nan 8.290 nan 0.000 0.584 475 P HA 0.161 nan 4.420 nan 0.000 0.227 475 P C 1.502 178.852 177.300 0.084 0.000 1.161 475 P CA 1.316 64.458 63.100 0.070 0.000 0.788 475 P CB 0.225 31.959 31.700 0.057 0.000 0.822 476 G N 0.237 109.013 108.800 -0.040 0.000 2.570 476 G HA2 0.276 4.237 3.960 0.002 0.000 0.276 476 G HA3 0.276 4.237 3.960 0.002 0.000 0.276 476 G C -0.309 174.345 174.900 -0.410 0.000 1.346 476 G CA -0.599 44.396 45.100 -0.174 0.000 1.034 476 G HN 0.046 nan 8.290 nan 0.000 0.512 477 L N 1.027 121.911 121.223 -0.565 0.000 2.453 477 L HA 0.151 4.493 4.340 0.002 0.000 0.272 477 L C -1.871 174.820 176.870 -0.299 0.000 1.182 477 L CA -1.326 53.126 54.840 -0.646 0.000 0.858 477 L CB 0.455 42.232 42.059 -0.471 0.000 1.120 477 L HN 0.236 nan 8.230 nan 0.000 0.474 478 P HA -0.018 nan 4.420 nan 0.000 0.263 478 P C -0.861 176.416 177.300 -0.038 0.000 1.175 478 P CA 0.191 63.235 63.100 -0.093 0.000 0.761 478 P CB 0.488 32.239 31.700 0.085 0.000 0.794 479 L N 5.324 126.454 121.223 -0.155 0.000 2.410 479 L HA 0.525 4.866 4.340 0.002 0.000 0.270 479 L C -1.684 175.082 176.870 -0.172 0.000 0.983 479 L CA -0.606 54.200 54.840 -0.056 0.000 0.822 479 L CB 1.186 43.199 42.059 -0.076 0.000 1.285 479 L HN 0.208 nan 8.230 nan 0.000 0.409 480 Y N 2.673 122.931 120.300 -0.070 0.000 2.328 480 Y HA 0.712 5.263 4.550 0.002 0.000 0.336 480 Y C 0.261 176.061 175.900 -0.167 0.000 0.960 480 Y CA -0.643 57.401 58.100 -0.094 0.000 1.134 480 Y CB 2.043 40.430 38.460 -0.120 0.000 1.166 480 Y HN 0.667 nan 8.280 nan 0.000 0.464 481 T N 1.315 115.875 114.554 0.009 0.000 2.906 481 T HA 0.708 5.060 4.350 0.002 0.000 0.295 481 T C -1.129 173.512 174.700 -0.098 0.000 1.075 481 T CA -0.932 61.119 62.100 -0.081 0.000 1.005 481 T CB 1.748 70.603 68.868 -0.023 0.000 1.136 481 T HN 0.517 nan 8.240 nan 0.000 0.498 482 L N 1.565 122.625 121.223 -0.272 0.000 2.325 482 L HA 0.630 4.972 4.340 0.002 0.000 0.278 482 L C -0.921 175.653 176.870 -0.493 0.000 1.023 482 L CA -0.787 53.915 54.840 -0.230 0.000 0.811 482 L CB 1.539 43.485 42.059 -0.189 0.000 1.249 482 L HN 0.889 nan 8.230 nan 0.000 0.431 483 H N 0.002 118.850 119.070 -0.370 0.000 2.928 483 H HA 0.392 4.950 4.556 0.002 0.000 0.371 483 H C -0.596 174.491 175.328 -0.401 0.000 1.186 483 H CA -0.651 55.084 56.048 -0.522 0.000 1.134 483 H CB 2.014 31.155 29.762 -1.035 0.000 1.824 483 H HN 0.467 nan 8.280 nan 0.000 0.554 484 S N 0.207 115.819 115.700 -0.147 0.000 2.451 484 S HA 0.289 4.760 4.470 0.002 0.000 0.301 484 S C 0.402 174.906 174.600 -0.161 0.000 1.116 484 S CA -0.698 57.394 58.200 -0.179 0.000 1.093 484 S CB 1.751 64.881 63.200 -0.118 0.000 1.017 484 S HN 0.559 nan 8.310 nan 0.000 0.482 485 S N 2.219 117.834 115.700 -0.141 0.000 2.368 485 S HA -0.115 4.356 4.470 0.002 0.000 0.224 485 S C 2.017 176.623 174.600 0.009 0.000 1.029 485 S CA 1.023 59.263 58.200 0.066 0.000 0.988 485 S CB -0.562 62.690 63.200 0.087 0.000 0.838 485 S HN 0.700 nan 8.310 nan 0.000 0.462 486 V N 2.442 122.314 119.914 -0.069 0.000 2.252 486 V HA -0.307 3.814 4.120 0.002 0.000 0.255 486 V C 0.743 176.828 176.094 -0.016 0.000 1.071 486 V CA 2.401 64.679 62.300 -0.038 0.000 1.050 486 V CB -0.481 31.305 31.823 -0.061 0.000 0.654 486 V HN 0.588 nan 8.190 nan 0.000 0.448 487 N N -1.058 117.628 118.700 -0.023 0.000 2.299 487 N HA 0.185 4.927 4.740 0.002 0.000 0.246 487 N C -0.650 174.855 175.510 -0.009 0.000 1.254 487 N CA 0.353 53.395 53.050 -0.014 0.000 0.879 487 N CB 0.573 39.055 38.487 -0.008 0.000 1.214 487 N HN 0.430 nan 8.380 nan 0.000 0.510 488 D N 1.035 121.441 120.400 0.010 0.000 2.708 488 D HA -0.205 4.436 4.640 0.002 0.000 0.236 488 D C -0.011 176.313 176.300 0.039 0.000 1.146 488 D CA 1.132 55.160 54.000 0.047 0.000 0.662 488 D CB -0.747 40.074 40.800 0.036 0.000 1.059 488 D HN 0.440 nan 8.370 nan 0.000 0.428 489 K N 0.314 120.716 120.400 0.004 0.000 2.249 489 K HA 0.414 4.735 4.320 0.002 0.000 0.280 489 K C 0.897 177.464 176.600 -0.056 0.000 1.033 489 K CA -0.134 56.144 56.287 -0.015 0.000 0.946 489 K CB 0.905 33.387 32.500 -0.030 0.000 1.005 489 K HN 0.076 nan 8.250 nan 0.000 0.469 490 G N 5.180 113.921 108.800 -0.097 0.000 3.209 490 G HA2 0.114 4.076 3.960 0.002 0.000 0.274 490 G HA3 0.114 4.076 3.960 0.002 0.000 0.274 490 G C 0.846 175.553 174.900 -0.322 0.000 0.850 490 G CA -0.352 44.546 45.100 -0.338 0.000 1.907 490 G HN 0.756 nan 8.290 nan 0.000 0.591 491 L N 0.280 121.321 121.223 -0.302 0.000 2.011 491 L HA -0.150 4.192 4.340 0.002 0.000 0.225 491 L C 1.807 178.568 176.870 -0.180 0.000 1.084 491 L CA 1.819 56.547 54.840 -0.187 0.000 0.791 491 L CB -0.390 41.585 42.059 -0.140 0.000 0.898 491 L HN 0.726 nan 8.230 nan 0.000 0.440 492 R N -2.820 117.534 120.500 -0.244 0.000 2.825 492 R HA 0.367 4.709 4.340 0.002 0.000 0.274 492 R C -1.491 174.673 176.300 -0.227 0.000 1.026 492 R CA -0.956 55.028 56.100 -0.194 0.000 0.867 492 R CB 0.928 31.143 30.300 -0.142 0.000 1.268 492 R HN -0.234 nan 8.270 nan 0.000 0.491 493 V N 2.979 122.787 119.914 -0.177 0.000 2.572 493 V HA 0.115 4.236 4.120 0.002 0.000 0.291 493 V C 1.221 177.171 176.094 -0.241 0.000 1.039 493 V CA -0.033 62.166 62.300 -0.169 0.000 1.055 493 V CB 0.988 32.747 31.823 -0.106 0.000 0.969 493 V HN 0.653 nan 8.190 nan 0.000 0.482 494 L N 2.240 123.262 121.223 -0.336 0.000 2.500 494 L HA 0.405 4.747 4.340 0.002 0.000 0.219 494 L C 0.537 177.150 176.870 -0.429 0.000 1.057 494 L CA 0.405 54.862 54.840 -0.639 0.000 0.854 494 L CB 0.401 41.709 42.059 -1.252 0.000 1.078 494 L HN 0.729 nan 8.230 nan 0.000 0.480 495 E N 0.013 120.099 120.200 -0.189 0.000 2.481 495 E HA 0.095 4.447 4.350 0.002 0.000 0.301 495 E C -1.233 175.404 176.600 0.062 0.000 0.948 495 E CA -0.217 56.161 56.400 -0.037 0.000 0.804 495 E CB 1.069 30.737 29.700 -0.053 0.000 1.265 495 E HN 0.137 nan 8.360 nan 0.000 0.406 496 D N 3.249 123.667 120.400 0.031 0.000 2.500 496 D HA 0.132 4.773 4.640 0.002 0.000 0.217 496 D C -0.280 176.027 176.300 0.011 0.000 1.159 496 D CA -0.153 53.860 54.000 0.021 0.000 0.828 496 D CB -0.013 40.781 40.800 -0.011 0.000 1.039 496 D HN 0.454 nan 8.370 nan 0.000 0.512 497 N N 0.591 119.308 118.700 0.028 0.000 2.747 497 N HA -0.211 4.530 4.740 0.002 0.000 0.249 497 N C 1.087 176.600 175.510 0.005 0.000 1.107 497 N CA 0.947 54.009 53.050 0.020 0.000 0.707 497 N CB -1.546 36.947 38.487 0.009 0.000 1.054 497 N HN 0.487 nan 8.380 nan 0.000 0.555 498 S N -0.926 114.777 115.700 0.005 0.000 2.382 498 S HA -0.072 4.400 4.470 0.002 0.000 0.228 498 S C 2.122 176.735 174.600 0.020 0.000 1.027 498 S CA 1.094 59.296 58.200 0.004 0.000 0.991 498 S CB -0.206 62.996 63.200 0.003 0.000 0.823 498 S HN 0.507 nan 8.310 nan 0.000 0.469 499 A N 1.949 124.788 122.820 0.032 0.000 1.908 499 A HA 0.020 4.341 4.320 0.002 0.000 0.218 499 A C 2.254 179.880 177.584 0.070 0.000 1.181 499 A CA 1.695 53.761 52.037 0.048 0.000 0.627 499 A CB -0.926 18.104 19.000 0.050 0.000 0.818 499 A HN 0.538 nan 8.150 nan 0.000 0.445 500 L N 0.099 121.365 121.223 0.072 0.000 2.027 500 L HA -0.143 4.198 4.340 0.002 0.000 0.206 500 L C 2.007 178.918 176.870 0.068 0.000 1.074 500 L CA 2.684 57.585 54.840 0.102 0.000 0.745 500 L CB -0.677 41.440 42.059 0.096 0.000 0.898 500 L HN 0.445 nan 8.230 nan 0.000 0.433 501 D N -0.428 119.983 120.400 0.018 0.000 2.106 501 D HA -0.230 4.411 4.640 0.002 0.000 0.191 501 D C 1.986 178.296 176.300 0.017 0.000 0.997 501 D CA 1.283 55.279 54.000 -0.006 0.000 0.834 501 D CB 0.090 40.874 40.800 -0.026 0.000 0.956 501 D HN 0.144 nan 8.370 nan 0.000 0.448 502 K N -0.075 120.345 120.400 0.033 0.000 2.103 502 K HA -0.072 4.249 4.320 0.002 0.000 0.207 502 K C 2.318 178.957 176.600 0.065 0.000 1.048 502 K CA 0.701 57.013 56.287 0.042 0.000 0.930 502 K CB -0.620 31.906 32.500 0.043 0.000 0.716 502 K HN 0.376 nan 8.250 nan 0.000 0.444 503 M N 0.017 119.677 119.600 0.101 0.000 2.175 503 M HA -0.063 4.419 4.480 0.002 0.000 0.264 503 M C 1.817 178.177 176.300 0.100 0.000 1.063 503 M CA 1.208 56.610 55.300 0.169 0.000 1.119 503 M CB -0.123 32.660 32.600 0.305 0.000 1.377 503 M HN 0.000 nan 8.290 nan 0.000 0.415 504 L N 0.072 121.306 121.223 0.019 0.000 2.552 504 L HA -0.130 4.212 4.340 0.002 0.000 0.227 504 L C 2.254 179.101 176.870 -0.038 0.000 1.146 504 L CA 0.418 55.212 54.840 -0.077 0.000 0.858 504 L CB -0.414 41.607 42.059 -0.063 0.000 0.969 504 L HN 0.420 nan 8.230 nan 0.000 0.451 505 Q N -0.694 119.106 119.800 -0.000 0.000 2.432 505 Q HA -0.017 4.324 4.340 0.002 0.000 0.205 505 Q C 0.575 176.587 176.000 0.020 0.000 0.945 505 Q CA 0.582 56.388 55.803 0.006 0.000 0.924 505 Q CB -0.184 28.560 28.738 0.011 0.000 1.016 505 Q HN 0.538 nan 8.270 nan 0.000 0.503 506 N N 1.172 119.892 118.700 0.033 0.000 2.276 506 N HA 0.099 4.840 4.740 0.002 0.000 0.212 506 N C -0.523 175.018 175.510 0.052 0.000 1.127 506 N CA 0.147 53.228 53.050 0.052 0.000 0.834 506 N CB 1.606 40.139 38.487 0.076 0.000 1.014 506 N HN 0.048 nan 8.380 nan 0.000 0.491 507 V N 0.640 120.564 119.914 0.017 0.000 2.668 507 V HA 0.165 4.286 4.120 0.002 0.000 0.304 507 V C -0.954 175.142 176.094 0.004 0.000 1.071 507 V CA -0.817 61.492 62.300 0.015 0.000 0.894 507 V CB 2.046 33.844 31.823 -0.041 0.000 1.008 507 V HN 0.039 nan 8.190 nan 0.000 0.425 508 Q N 6.760 126.580 119.800 0.033 0.000 2.371 508 Q HA 0.195 4.536 4.340 0.002 0.000 0.254 508 Q C -0.246 175.743 176.000 -0.019 0.000 1.264 508 Q CA 0.194 56.002 55.803 0.007 0.000 0.904 508 Q CB 0.191 28.965 28.738 0.059 0.000 1.507 508 Q HN 0.598 nan 8.270 nan 0.000 0.495 509 M N 3.970 123.536 119.600 -0.056 0.000 2.274 509 M HA 0.346 4.828 4.480 0.002 0.000 0.344 509 M C -1.968 174.272 176.300 -0.100 0.000 1.161 509 M CA -2.606 52.649 55.300 -0.074 0.000 1.126 509 M CB 0.222 32.779 32.600 -0.072 0.000 1.522 509 M HN 0.307 nan 8.290 nan 0.000 0.461 510 P HA 0.221 nan 4.420 nan 0.000 0.274 510 P C -0.635 176.586 177.300 -0.131 0.000 1.246 510 P CA -0.319 62.700 63.100 -0.135 0.000 0.795 510 P CB 0.471 32.076 31.700 -0.158 0.000 1.006 511 S N -0.264 115.349 115.700 -0.144 0.000 2.758 511 S HA 0.633 5.104 4.470 0.002 0.000 0.292 511 S C -0.453 174.059 174.600 -0.147 0.000 1.131 511 S CA -0.693 57.432 58.200 -0.125 0.000 0.997 511 S CB 1.354 64.481 63.200 -0.122 0.000 1.111 511 S HN 0.528 nan 8.310 nan 0.000 0.552 512 K N 0.224 120.556 120.400 -0.113 0.000 2.541 512 K HA 0.412 4.734 4.320 0.002 0.000 0.250 512 K C -1.520 175.029 176.600 -0.086 0.000 0.950 512 K CA -0.469 55.755 56.287 -0.105 0.000 0.805 512 K CB 1.524 33.980 32.500 -0.073 0.000 1.166 512 K HN 0.696 nan 8.250 nan 0.000 0.430 513 K N 4.896 125.235 120.400 -0.101 0.000 2.159 513 K HA 0.400 4.722 4.320 0.002 0.000 0.266 513 K C -1.342 175.232 176.600 -0.043 0.000 0.975 513 K CA -0.731 55.513 56.287 -0.070 0.000 0.865 513 K CB 1.030 33.476 32.500 -0.091 0.000 1.087 513 K HN 0.542 nan 8.250 nan 0.000 0.446 514 L N 4.287 125.498 121.223 -0.021 0.000 2.356 514 L HA 0.505 4.846 4.340 0.002 0.000 0.277 514 L C -1.277 175.602 176.870 0.016 0.000 0.996 514 L CA -0.210 54.645 54.840 0.026 0.000 0.822 514 L CB 1.441 43.578 42.059 0.129 0.000 1.256 514 L HN 0.906 nan 8.230 nan 0.000 0.413 515 D N 2.734 122.995 120.400 -0.231 0.000 2.865 515 D HA 0.417 5.059 4.640 0.002 0.000 0.343 515 D C -1.758 174.137 176.300 -0.673 0.000 1.372 515 D CA -0.031 53.709 54.000 -0.433 0.000 0.862 515 D CB 2.310 42.818 40.800 -0.486 0.000 1.425 515 D HN 0.257 nan 8.370 nan 0.000 0.501 516 F N 0.170 119.729 119.950 -0.651 0.000 2.626 516 F HA 0.700 5.229 4.527 0.003 0.000 0.311 516 F C -0.573 175.293 175.800 0.111 0.000 1.088 516 F CA -0.974 56.763 58.000 -0.438 0.000 0.949 516 F CB 0.779 39.076 39.000 -1.171 0.000 1.322 516 F HN 0.295 nan 8.300 nan 0.000 0.461 517 I N -0.265 120.572 120.570 0.445 0.000 3.217 517 I HA 0.741 4.912 4.170 0.002 0.000 0.308 517 I C -1.252 175.100 176.117 0.391 0.000 1.091 517 I CA -1.358 60.142 61.300 0.334 0.000 1.013 517 I CB 2.299 40.488 38.000 0.316 0.000 1.250 517 I HN 0.631 nan 8.210 nan 0.000 0.496 518 I N 2.806 123.547 120.570 0.286 0.000 2.418 518 I HA 0.387 4.558 4.170 0.002 0.000 0.287 518 I C -0.902 175.369 176.117 0.258 0.000 1.008 518 I CA -0.433 61.032 61.300 0.274 0.000 1.104 518 I CB 1.790 39.907 38.000 0.195 0.000 1.264 518 I HN 0.360 nan 8.210 nan 0.000 0.438 519 L N 6.774 128.218 121.223 0.370 0.000 2.313 519 L HA 0.361 4.702 4.340 0.002 0.000 0.283 519 L C 0.277 177.290 176.870 0.237 0.000 1.013 519 L CA -0.906 54.101 54.840 0.280 0.000 0.816 519 L CB 1.480 43.701 42.059 0.271 0.000 1.236 519 L HN 0.755 nan 8.230 nan 0.000 0.419 520 N N 4.207 122.985 118.700 0.131 0.000 2.998 520 N HA -0.295 4.447 4.740 0.002 0.000 0.310 520 N C -0.105 175.459 175.510 0.090 0.000 1.111 520 N CA 0.704 53.807 53.050 0.089 0.000 0.815 520 N CB -0.042 38.477 38.487 0.054 0.000 0.986 520 N HN 0.809 nan 8.380 nan 0.000 0.616 521 E N -2.207 118.041 120.200 0.079 0.000 4.020 521 E HA -0.150 4.201 4.350 0.002 0.000 0.153 521 E C -0.277 176.342 176.600 0.031 0.000 0.972 521 E CA 1.998 58.427 56.400 0.048 0.000 2.735 521 E CB -1.827 27.891 29.700 0.030 0.000 1.530 521 E HN 0.773 nan 8.360 nan 0.000 0.620 522 T N 4.077 118.649 114.554 0.031 0.000 2.897 522 T HA 0.413 4.764 4.350 0.002 0.000 0.294 522 T C 0.470 175.078 174.700 -0.154 0.000 1.004 522 T CA -0.264 61.766 62.100 -0.117 0.000 1.106 522 T CB 1.235 69.967 68.868 -0.226 0.000 0.949 522 T HN 0.197 nan 8.240 nan 0.000 0.520 523 K N 2.268 122.509 120.400 -0.266 0.000 2.205 523 K HA 0.434 4.756 4.320 0.002 0.000 0.279 523 K C -1.429 174.945 176.600 -0.377 0.000 1.027 523 K CA -0.452 55.712 56.287 -0.205 0.000 0.932 523 K CB 0.644 32.907 32.500 -0.395 0.000 1.032 523 K HN 0.426 nan 8.250 nan 0.000 0.466 524 F N 1.812 121.834 119.950 0.120 0.000 2.507 524 F HA 0.347 4.875 4.527 0.002 0.000 0.325 524 F C -0.749 175.138 175.800 0.146 0.000 1.116 524 F CA -0.785 57.288 58.000 0.121 0.000 0.930 524 F CB 1.243 40.313 39.000 0.117 0.000 1.146 524 F HN 0.522 nan 8.300 nan 0.000 0.447 525 W N 3.697 125.123 121.300 0.211 0.000 2.376 525 W HA 0.515 5.176 4.660 0.002 0.000 0.322 525 W C -0.680 176.004 176.519 0.275 0.000 1.160 525 W CA -0.661 56.819 57.345 0.225 0.000 1.218 525 W CB 0.730 30.259 29.460 0.115 0.000 1.205 525 W HN 0.424 nan 8.180 nan 0.000 0.559 526 Y N -0.138 120.487 120.300 0.542 0.000 2.605 526 Y HA 0.682 5.234 4.550 0.002 0.000 0.343 526 Y C -0.729 175.387 175.900 0.361 0.000 1.036 526 Y CA -1.839 56.570 58.100 0.516 0.000 1.065 526 Y CB 1.175 40.066 38.460 0.718 0.000 1.288 526 Y HN 0.550 nan 8.280 nan 0.000 0.481 527 Q N 2.064 122.088 119.800 0.375 0.000 2.413 527 Q HA 0.750 5.091 4.340 0.002 0.000 0.276 527 Q C -1.813 174.312 176.000 0.209 0.000 1.099 527 Q CA -1.152 54.765 55.803 0.191 0.000 0.814 527 Q CB 3.169 31.980 28.738 0.123 0.000 1.379 527 Q HN 0.905 nan 8.270 nan 0.000 0.436 528 M N 2.294 121.944 119.600 0.082 0.000 2.327 528 M HA 0.435 4.917 4.480 0.002 0.000 0.298 528 M C -1.170 175.064 176.300 -0.111 0.000 1.065 528 M CA -0.876 54.401 55.300 -0.039 0.000 0.916 528 M CB 2.253 34.782 32.600 -0.118 0.000 1.630 528 M HN 0.580 nan 8.290 nan 0.000 0.442 529 I N 4.937 125.440 120.570 -0.113 0.000 2.312 529 I HA 0.331 4.503 4.170 0.002 0.000 0.291 529 I C -0.525 175.454 176.117 -0.229 0.000 1.031 529 I CA -0.159 61.049 61.300 -0.154 0.000 1.293 529 I CB 0.091 38.019 38.000 -0.119 0.000 1.403 529 I HN 0.637 nan 8.210 nan 0.000 0.484 530 L N 8.463 129.506 121.223 -0.300 0.000 2.307 530 L HA 0.449 4.790 4.340 0.002 0.000 0.284 530 L C -2.178 174.527 176.870 -0.275 0.000 1.023 530 L CA -1.794 52.786 54.840 -0.433 0.000 0.810 530 L CB 1.732 43.368 42.059 -0.706 0.000 1.231 530 L HN 0.270 nan 8.230 nan 0.000 0.423 531 P HA 0.106 nan 4.420 nan 0.000 0.271 531 P C -2.532 174.742 177.300 -0.043 0.000 1.233 531 P CA -0.982 62.063 63.100 -0.092 0.000 0.789 531 P CB -0.209 31.484 31.700 -0.013 0.000 0.951 532 P HA 0.074 nan 4.420 nan 0.000 0.272 532 P C -0.510 176.770 177.300 -0.034 0.000 1.223 532 P CA 0.285 63.305 63.100 -0.134 0.000 0.784 532 P CB -0.195 31.397 31.700 -0.179 0.000 0.923 533 H N -2.202 116.907 119.070 0.065 0.000 2.899 533 H HA -0.227 4.331 4.556 0.002 0.000 0.282 533 H C 0.072 175.459 175.328 0.099 0.000 1.198 533 H CA -0.007 56.081 56.048 0.067 0.000 1.140 533 H CB -2.506 27.286 29.762 0.051 0.000 1.317 533 H HN 0.336 nan 8.280 nan 0.000 0.375 534 F N 2.261 122.214 119.950 0.006 0.000 2.635 534 F HA 0.154 4.683 4.527 0.002 0.000 0.379 534 F C 0.480 176.287 175.800 0.012 0.000 1.094 534 F CA 0.390 58.353 58.000 -0.063 0.000 1.300 534 F CB 0.524 39.364 39.000 -0.268 0.000 1.035 534 F HN 0.254 nan 8.300 nan 0.000 0.581 535 D N 5.156 125.058 120.400 -0.830 0.000 2.602 535 D HA 0.128 4.770 4.640 0.002 0.000 0.245 535 D C 0.235 176.078 176.300 -0.762 0.000 1.325 535 D CA -0.603 53.064 54.000 -0.555 0.000 0.952 535 D CB 1.280 41.975 40.800 -0.174 0.000 1.317 535 D HN 0.660 nan 8.370 nan 0.000 0.577 536 K N 1.126 121.097 120.400 -0.715 0.000 2.442 536 K HA -0.102 4.220 4.320 0.002 0.000 0.198 536 K C 1.185 177.764 176.600 -0.036 0.000 1.044 536 K CA 1.407 57.456 56.287 -0.397 0.000 0.948 536 K CB 0.002 32.412 32.500 -0.150 0.000 0.762 536 K HN 0.183 nan 8.250 nan 0.000 0.472 537 S N -0.030 115.617 115.700 -0.089 0.000 2.478 537 S HA 0.056 4.527 4.470 0.002 0.000 0.222 537 S C 0.634 175.204 174.600 -0.049 0.000 1.008 537 S CA -0.311 57.868 58.200 -0.035 0.000 0.928 537 S CB -0.029 63.142 63.200 -0.049 0.000 0.781 537 S HN 0.221 nan 8.310 nan 0.000 0.518 538 K N 0.922 121.263 120.400 -0.098 0.000 2.118 538 K HA 0.408 4.730 4.320 0.002 0.000 0.240 538 K C -0.710 175.797 176.600 -0.155 0.000 1.035 538 K CA -0.214 55.951 56.287 -0.203 0.000 0.899 538 K CB 0.418 32.679 32.500 -0.399 0.000 1.085 538 K HN 0.065 nan 8.250 nan 0.000 0.498 539 K N 1.583 121.801 120.400 -0.304 0.000 2.502 539 K HA 0.281 4.602 4.320 0.002 0.000 0.254 539 K C -1.567 174.871 176.600 -0.270 0.000 0.947 539 K CA -0.391 55.808 56.287 -0.147 0.000 0.834 539 K CB 0.951 33.392 32.500 -0.099 0.000 1.112 539 K HN 0.328 nan 8.250 nan 0.000 0.427 540 Y N 2.703 123.013 120.300 0.016 0.000 2.487 540 Y HA 0.386 4.937 4.550 0.002 0.000 0.337 540 Y C -2.036 173.770 175.900 -0.156 0.000 1.076 540 Y CA -2.703 55.377 58.100 -0.034 0.000 1.115 540 Y CB 0.939 39.446 38.460 0.078 0.000 1.235 540 Y HN 0.462 nan 8.280 nan 0.000 0.468 541 P HA 0.161 nan 4.420 nan 0.000 0.275 541 P C -1.052 176.049 177.300 -0.332 0.000 1.228 541 P CA -0.181 62.563 63.100 -0.592 0.000 0.786 541 P CB 1.483 32.271 31.700 -1.519 0.000 0.927 542 L N 3.338 124.451 121.223 -0.183 0.000 2.346 542 L HA 0.512 4.854 4.340 0.002 0.000 0.276 542 L C -0.924 176.135 176.870 0.316 0.000 1.006 542 L CA -1.010 53.873 54.840 0.072 0.000 0.817 542 L CB 1.331 43.443 42.059 0.088 0.000 1.272 542 L HN 0.253 nan 8.230 nan 0.000 0.421 543 L N 6.009 127.434 121.223 0.338 0.000 2.316 543 L HA 0.375 4.717 4.340 0.002 0.000 0.280 543 L C -1.052 176.061 176.870 0.404 0.000 1.006 543 L CA -0.877 54.221 54.840 0.431 0.000 0.836 543 L CB 1.668 43.942 42.059 0.358 0.000 1.221 543 L HN 0.602 nan 8.230 nan 0.000 0.418 544 L N 5.259 126.764 121.223 0.470 0.000 2.385 544 L HA 0.226 4.567 4.340 0.002 0.000 0.281 544 L C -0.033 177.088 176.870 0.418 0.000 1.106 544 L CA 0.317 55.422 54.840 0.442 0.000 0.856 544 L CB 0.494 42.845 42.059 0.487 0.000 1.186 544 L HN 0.475 nan 8.230 nan 0.000 0.453 545 D N 4.356 124.985 120.400 0.382 0.000 2.313 545 D HA 0.244 4.886 4.640 0.002 0.000 0.239 545 D C -1.015 175.380 176.300 0.158 0.000 1.142 545 D CA 0.004 54.162 54.000 0.264 0.000 0.847 545 D CB 1.387 42.417 40.800 0.383 0.000 1.082 545 D HN 0.306 nan 8.370 nan 0.000 0.480 546 V N 5.631 125.553 119.914 0.014 0.000 2.735 546 V HA 0.411 4.532 4.120 0.002 0.000 0.310 546 V C -1.031 175.155 176.094 0.154 0.000 1.061 546 V CA -0.467 61.906 62.300 0.121 0.000 0.913 546 V CB 1.709 33.598 31.823 0.111 0.000 1.005 546 V HN 0.652 nan 8.190 nan 0.000 0.428 547 Y N 5.398 125.769 120.300 0.118 0.000 2.891 547 Y HA 0.598 5.150 4.550 0.002 0.000 0.228 547 Y C 1.609 177.657 175.900 0.248 0.000 1.000 547 Y CA 1.514 59.714 58.100 0.166 0.000 1.491 547 Y CB 0.163 38.706 38.460 0.140 0.000 1.394 547 Y HN 1.160 nan 8.280 nan 0.000 0.477 548 A N 0.598 123.576 122.820 0.264 0.000 2.887 548 A HA -0.134 4.188 4.320 0.002 0.000 0.257 548 A C 0.908 178.432 177.584 -0.100 0.000 1.372 548 A CA 0.785 52.919 52.037 0.160 0.000 0.879 548 A CB -2.447 16.684 19.000 0.218 0.000 1.082 548 A HN 0.931 nan 8.150 nan 0.000 0.703 549 G N -0.387 108.157 108.800 -0.427 0.000 2.606 549 G HA2 0.488 4.450 3.960 0.002 0.000 0.252 549 G HA3 0.488 4.450 3.960 0.002 0.000 0.252 549 G C -1.873 172.761 174.900 -0.444 0.000 1.206 549 G CA -0.592 43.888 45.100 -1.034 0.000 0.861 549 G HN 0.405 nan 8.290 nan 0.000 0.561 550 P HA 0.035 nan 4.420 nan 0.000 0.262 550 P C 0.647 177.815 177.300 -0.220 0.000 1.199 550 P CA 0.171 63.027 63.100 -0.407 0.000 0.763 550 P CB 0.729 31.826 31.700 -1.005 0.000 0.790 551 C N 2.163 121.389 119.300 -0.122 0.000 4.497 551 C HA -0.160 4.301 4.460 0.002 0.000 0.268 551 C C 1.165 176.145 174.990 -0.017 0.000 1.343 551 C CA 1.241 60.135 59.018 -0.207 0.000 1.742 551 C CB -2.561 24.878 27.740 -0.501 0.000 1.450 551 C HN 0.819 nan 8.230 nan 0.000 0.733 552 S N 0.249 116.025 115.700 0.126 0.000 2.579 552 S HA 0.435 4.907 4.470 0.002 0.000 0.275 552 S C -0.570 174.177 174.600 0.245 0.000 1.345 552 S CA 0.389 58.754 58.200 0.275 0.000 1.031 552 S CB 1.403 64.862 63.200 0.432 0.000 0.892 552 S HN 0.786 nan 8.310 nan 0.000 0.529 553 Q N 0.403 120.372 119.800 0.282 0.000 2.295 553 Q HA 0.371 4.712 4.340 0.002 0.000 0.259 553 Q C -0.624 175.497 176.000 0.202 0.000 0.966 553 Q CA -0.600 55.367 55.803 0.272 0.000 0.763 553 Q CB 0.967 29.930 28.738 0.374 0.000 1.283 553 Q HN 0.728 nan 8.270 nan 0.000 0.445 554 K N 1.170 121.691 120.400 0.201 0.000 2.402 554 K HA 0.334 4.655 4.320 0.002 0.000 0.204 554 K C -0.504 176.205 176.600 0.181 0.000 1.056 554 K CA 0.150 56.548 56.287 0.183 0.000 1.069 554 K CB 1.649 34.285 32.500 0.228 0.000 0.888 554 K HN 0.486 nan 8.250 nan 0.000 0.546 555 A N 2.792 125.725 122.820 0.189 0.000 2.273 555 A HA 0.421 4.743 4.320 0.002 0.000 0.320 555 A C -0.643 177.004 177.584 0.106 0.000 1.358 555 A CA -0.440 51.706 52.037 0.182 0.000 0.910 555 A CB 0.077 19.243 19.000 0.277 0.000 1.159 555 A HN 0.252 nan 8.150 nan 0.000 0.526 556 D N 0.023 120.462 120.400 0.066 0.000 2.798 556 D HA 0.467 5.108 4.640 0.002 0.000 0.308 556 D C 0.487 176.794 176.300 0.012 0.000 1.187 556 D CA 0.341 54.363 54.000 0.037 0.000 1.033 556 D CB 0.359 41.172 40.800 0.022 0.000 1.445 556 D HN 0.194 nan 8.370 nan 0.000 0.550 557 T N -2.481 112.088 114.554 0.025 0.000 3.092 557 T HA 0.311 4.663 4.350 0.002 0.000 0.258 557 T C 0.339 175.002 174.700 -0.062 0.000 1.031 557 T CA -0.352 61.765 62.100 0.028 0.000 0.925 557 T CB -0.613 68.323 68.868 0.112 0.000 1.036 557 T HN 0.270 nan 8.240 nan 0.000 0.544 558 V N 2.644 122.402 119.914 -0.259 0.000 2.655 558 V HA 0.271 4.392 4.120 0.002 0.000 0.300 558 V C 0.182 176.219 176.094 -0.095 0.000 1.044 558 V CA -0.751 61.367 62.300 -0.303 0.000 1.095 558 V CB -0.199 31.320 31.823 -0.506 0.000 0.952 558 V HN 0.556 nan 8.190 nan 0.000 0.485 559 F N 6.330 126.189 119.950 -0.153 0.000 2.420 559 F HA 0.558 5.086 4.527 0.002 0.000 0.352 559 F C 0.531 176.280 175.800 -0.085 0.000 1.108 559 F CA -0.179 57.759 58.000 -0.104 0.000 1.162 559 F CB 0.272 39.222 39.000 -0.084 0.000 1.118 559 F HN 0.436 nan 8.300 nan 0.000 0.510 560 R N 5.806 125.859 120.500 -0.745 0.000 2.673 560 R HA 0.531 4.873 4.340 0.002 0.000 0.281 560 R C -1.921 174.000 176.300 -0.632 0.000 0.991 560 R CA -1.218 54.595 56.100 -0.478 0.000 0.896 560 R CB 1.933 32.092 30.300 -0.235 0.000 1.201 560 R HN 0.462 nan 8.270 nan 0.000 0.457 561 L N 4.313 125.342 121.223 -0.323 0.000 2.313 561 L HA 0.345 4.687 4.340 0.002 0.000 0.273 561 L C -0.631 176.243 176.870 0.007 0.000 1.028 561 L CA -0.384 54.316 54.840 -0.233 0.000 0.871 561 L CB 0.304 42.352 42.059 -0.019 0.000 1.242 561 L HN 0.737 nan 8.230 nan 0.000 0.434 562 N N 0.394 119.025 118.700 -0.115 0.000 3.513 562 N HA 0.180 4.922 4.740 0.002 0.000 0.351 562 N C 0.485 175.681 175.510 -0.523 0.000 1.624 562 N CA -0.749 52.162 53.050 -0.231 0.000 0.712 562 N CB -0.089 38.361 38.487 -0.061 0.000 2.106 562 N HN 0.208 nan 8.380 nan 0.000 0.649 563 W N 0.503 121.269 121.300 -0.889 0.000 2.388 563 W HA 0.251 4.912 4.660 0.002 0.000 0.294 563 W C 2.077 178.551 176.519 -0.076 0.000 1.212 563 W CA 2.571 59.591 57.345 -0.542 0.000 1.271 563 W CB -0.948 28.335 29.460 -0.294 0.000 1.126 563 W HN 0.689 nan 8.180 nan 0.000 0.535 564 A N -0.420 122.389 122.820 -0.018 0.000 1.978 564 A HA -0.217 4.104 4.320 0.002 0.000 0.220 564 A C 1.931 179.417 177.584 -0.165 0.000 1.170 564 A CA 2.531 54.499 52.037 -0.116 0.000 0.636 564 A CB -1.252 17.761 19.000 0.022 0.000 0.810 564 A HN 0.303 nan 8.150 nan 0.000 0.448 565 T N -1.255 113.208 114.554 -0.152 0.000 2.708 565 T HA -0.205 4.147 4.350 0.002 0.000 0.266 565 T C 1.824 176.519 174.700 -0.009 0.000 1.037 565 T CA 1.674 63.651 62.100 -0.206 0.000 1.146 565 T CB -0.541 68.014 68.868 -0.522 0.000 0.865 565 T HN 0.664 nan 8.240 nan 0.000 0.435 566 Y N 2.126 122.485 120.300 0.098 0.000 2.128 566 Y HA -0.091 4.461 4.550 0.002 0.000 0.284 566 Y C 1.984 177.852 175.900 -0.054 0.000 1.154 566 Y CA 0.995 59.186 58.100 0.151 0.000 1.149 566 Y CB -0.758 37.790 38.460 0.147 0.000 0.976 566 Y HN 0.114 nan 8.280 nan 0.000 0.505 567 L N 0.166 121.007 121.223 -0.636 0.000 2.012 567 L HA -0.247 4.095 4.340 0.002 0.000 0.210 567 L C 2.867 179.480 176.870 -0.428 0.000 1.073 567 L CA 1.469 55.853 54.840 -0.760 0.000 0.748 567 L CB -1.035 40.621 42.059 -0.673 0.000 0.891 567 L HN 0.410 nan 8.230 nan 0.000 0.431 568 A N -1.270 121.386 122.820 -0.273 0.000 1.873 568 A HA -0.206 4.116 4.320 0.002 0.000 0.215 568 A C 2.516 180.025 177.584 -0.124 0.000 1.186 568 A CA 1.936 53.868 52.037 -0.174 0.000 0.616 568 A CB -0.719 18.181 19.000 -0.165 0.000 0.823 568 A HN 0.363 nan 8.150 nan 0.000 0.442 569 S N -1.205 114.438 115.700 -0.095 0.000 2.338 569 S HA -0.127 4.345 4.470 0.002 0.000 0.218 569 S C 2.065 176.670 174.600 0.009 0.000 1.032 569 S CA 2.298 60.495 58.200 -0.005 0.000 0.999 569 S CB -0.490 62.769 63.200 0.099 0.000 0.905 569 S HN 0.587 nan 8.310 nan 0.000 0.439 570 T N 1.406 115.937 114.554 -0.037 0.000 2.939 570 T HA 0.147 4.498 4.350 0.002 0.000 0.254 570 T C 1.440 176.087 174.700 -0.088 0.000 1.041 570 T CA 0.716 62.806 62.100 -0.015 0.000 1.142 570 T CB -0.153 68.789 68.868 0.124 0.000 0.874 570 T HN 0.322 nan 8.240 nan 0.000 0.452 571 E N 1.039 121.091 120.200 -0.247 0.000 2.479 571 E HA 0.172 4.524 4.350 0.002 0.000 0.193 571 E C 0.102 176.673 176.600 -0.048 0.000 1.049 571 E CA -0.083 56.226 56.400 -0.152 0.000 0.870 571 E CB -0.268 29.289 29.700 -0.239 0.000 0.944 571 E HN 0.501 nan 8.360 nan 0.000 0.492 572 N N 0.320 119.003 118.700 -0.027 0.000 2.754 572 N HA -0.182 4.559 4.740 0.002 0.000 0.248 572 N C -0.941 174.629 175.510 0.099 0.000 1.093 572 N CA 0.187 53.287 53.050 0.082 0.000 0.699 572 N CB -1.093 37.491 38.487 0.161 0.000 1.016 572 N HN 0.163 nan 8.380 nan 0.000 0.552 573 I N 0.998 121.559 120.570 -0.015 0.000 2.359 573 I HA 0.316 4.487 4.170 0.002 0.000 0.294 573 I C 0.652 176.735 176.117 -0.056 0.000 0.987 573 I CA -0.740 60.554 61.300 -0.009 0.000 1.225 573 I CB 1.201 39.214 38.000 0.021 0.000 1.366 573 I HN 0.033 nan 8.210 nan 0.000 0.466 574 I N 6.704 127.247 120.570 -0.044 0.000 2.517 574 I HA 0.073 4.245 4.170 0.002 0.000 0.285 574 I C -0.315 175.791 176.117 -0.019 0.000 1.106 574 I CA -0.115 61.133 61.300 -0.087 0.000 1.402 574 I CB 0.549 38.512 38.000 -0.061 0.000 1.399 574 I HN 0.219 nan 8.210 nan 0.000 0.535 575 V N 7.061 126.955 119.914 -0.034 0.000 2.347 575 V HA 0.601 4.723 4.120 0.002 0.000 0.280 575 V C 0.402 176.531 176.094 0.058 0.000 1.021 575 V CA -0.455 61.878 62.300 0.054 0.000 0.847 575 V CB 1.117 32.971 31.823 0.051 0.000 0.990 575 V HN 0.833 nan 8.190 nan 0.000 0.444 576 A N 4.058 126.945 122.820 0.111 0.000 2.337 576 A HA 0.937 5.258 4.320 0.002 0.000 0.331 576 A C -0.165 177.575 177.584 0.261 0.000 1.137 576 A CA -0.498 51.592 52.037 0.088 0.000 0.807 576 A CB 1.650 20.558 19.000 -0.153 0.000 1.250 576 A HN 0.692 nan 8.150 nan 0.000 0.468 577 S N -0.099 115.795 115.700 0.324 0.000 2.549 577 S HA 0.728 5.199 4.470 0.002 0.000 0.280 577 S C -1.495 173.448 174.600 0.573 0.000 1.109 577 S CA -0.305 58.137 58.200 0.403 0.000 0.905 577 S CB 1.306 64.687 63.200 0.301 0.000 1.081 577 S HN 0.746 nan 8.310 nan 0.000 0.477 578 F N 1.969 122.157 119.950 0.397 0.000 2.547 578 F HA 0.458 4.987 4.527 0.002 0.000 0.316 578 F C -1.388 174.628 175.800 0.360 0.000 1.121 578 F CA -0.739 57.526 58.000 0.442 0.000 0.911 578 F CB 1.396 40.643 39.000 0.412 0.000 1.179 578 F HN 0.390 nan 8.300 nan 0.000 0.443 579 D N 4.890 125.161 120.400 -0.215 0.000 2.456 579 D HA 0.333 4.975 4.640 0.002 0.000 0.219 579 D C 0.421 176.529 176.300 -0.320 0.000 1.126 579 D CA 0.193 54.131 54.000 -0.103 0.000 0.890 579 D CB 1.359 42.221 40.800 0.103 0.000 1.025 579 D HN 0.760 nan 8.370 nan 0.000 0.511 580 G N 1.405 110.104 108.800 -0.169 0.000 2.695 580 G HA2 0.283 4.244 3.960 0.002 0.000 0.213 580 G HA3 0.283 4.244 3.960 0.002 0.000 0.213 580 G C 0.155 175.122 174.900 0.112 0.000 1.406 580 G CA -0.640 44.387 45.100 -0.121 0.000 1.049 580 G HN 0.263 nan 8.290 nan 0.000 0.573 581 R N -0.870 119.664 120.500 0.057 0.000 2.623 581 R HA 0.399 4.740 4.340 0.002 0.000 0.271 581 R C 1.323 177.727 176.300 0.173 0.000 1.043 581 R CA 1.857 58.062 56.100 0.175 0.000 1.083 581 R CB 0.545 30.924 30.300 0.132 0.000 0.974 581 R HN 1.150 nan 8.270 nan 0.000 0.436 582 G N 1.193 110.086 108.800 0.156 0.000 2.241 582 G HA2 -0.309 3.653 3.960 0.002 0.000 0.244 582 G HA3 -0.309 3.653 3.960 0.002 0.000 0.244 582 G C 0.223 175.161 174.900 0.063 0.000 0.998 582 G CA 0.179 45.349 45.100 0.116 0.000 0.621 582 G HN 0.647 nan 8.290 nan 0.000 0.519 583 S N 1.027 116.779 115.700 0.087 0.000 2.554 583 S HA 0.442 4.914 4.470 0.002 0.000 0.290 583 S C 1.085 175.662 174.600 -0.039 0.000 1.309 583 S CA 0.618 58.857 58.200 0.065 0.000 1.047 583 S CB 0.683 63.959 63.200 0.127 0.000 0.828 583 S HN 1.371 nan 8.310 nan 0.000 0.509 584 G N 0.811 109.538 108.800 -0.122 0.000 2.462 584 G HA2 0.503 4.464 3.960 0.002 0.000 0.319 584 G HA3 0.503 4.464 3.960 0.002 0.000 0.319 584 G C -0.942 173.759 174.900 -0.331 0.000 1.171 584 G CA -0.621 44.220 45.100 -0.432 0.000 0.920 584 G HN 0.862 nan 8.290 nan 0.000 0.499 585 Y N -2.298 117.986 120.300 -0.027 0.000 4.786 585 Y HA -0.204 4.347 4.550 0.002 0.000 0.243 585 Y C 1.321 177.208 175.900 -0.022 0.000 1.027 585 Y CA 0.868 58.958 58.100 -0.017 0.000 2.052 585 Y CB -2.177 36.295 38.460 0.019 0.000 1.578 585 Y HN 0.576 nan 8.280 nan 0.000 0.655 586 Q N 0.014 119.808 119.800 -0.010 0.000 2.086 586 Q HA 0.512 4.854 4.340 0.002 0.000 0.220 586 Q C 0.933 176.777 176.000 -0.260 0.000 0.792 586 Q CA 0.237 56.033 55.803 -0.012 0.000 1.062 586 Q CB 1.719 30.448 28.738 -0.015 0.000 1.198 586 Q HN 0.608 nan 8.270 nan 0.000 0.466 587 G N 0.774 109.299 108.800 -0.457 0.000 2.699 587 G HA2 -0.186 3.775 3.960 0.002 0.000 0.686 587 G HA3 -0.186 3.775 3.960 0.002 0.000 0.686 587 G C -0.494 174.019 174.900 -0.645 0.000 1.301 587 G CA -0.504 44.063 45.100 -0.888 0.000 0.816 587 G HN 0.121 nan 8.290 nan 0.000 0.595 588 D N -0.060 119.925 120.400 -0.691 0.000 2.224 588 D HA -0.036 4.605 4.640 0.002 0.000 0.205 588 D C 2.194 178.208 176.300 -0.477 0.000 0.965 588 D CA 1.158 54.700 54.000 -0.763 0.000 0.852 588 D CB 0.020 40.288 40.800 -0.886 0.000 0.947 588 D HN 0.580 nan 8.370 nan 0.000 0.494 589 K N 0.552 120.733 120.400 -0.365 0.000 2.074 589 K HA -0.134 4.188 4.320 0.002 0.000 0.209 589 K C 1.941 178.465 176.600 -0.127 0.000 1.048 589 K CA 0.960 57.126 56.287 -0.201 0.000 0.926 589 K CB -0.025 32.368 32.500 -0.178 0.000 0.713 589 K HN 0.145 nan 8.250 nan 0.000 0.444 590 I N 0.076 120.554 120.570 -0.152 0.000 2.339 590 I HA -0.189 3.983 4.170 0.002 0.000 0.245 590 I C 2.601 178.707 176.117 -0.020 0.000 1.096 590 I CA 0.681 61.961 61.300 -0.033 0.000 1.408 590 I CB -0.099 37.884 38.000 -0.028 0.000 1.092 590 I HN 0.264 nan 8.210 nan 0.000 0.423 591 M N 0.023 119.536 119.600 -0.145 0.000 2.200 591 M HA -0.165 4.316 4.480 0.002 0.000 0.265 591 M C 1.835 178.157 176.300 0.037 0.000 1.066 591 M CA 1.872 57.110 55.300 -0.103 0.000 1.127 591 M CB -0.198 32.233 32.600 -0.282 0.000 1.379 591 M HN 0.259 nan 8.290 nan 0.000 0.420 592 H N -0.830 118.135 119.070 -0.175 0.000 2.539 592 H HA 0.203 4.760 4.556 0.002 0.000 0.267 592 H C 1.889 177.233 175.328 0.026 0.000 0.982 592 H CA 0.161 56.114 56.048 -0.158 0.000 1.146 592 H CB 0.259 29.843 29.762 -0.296 0.000 1.382 592 H HN 0.509 nan 8.280 nan 0.000 0.577 593 A N 1.598 124.516 122.820 0.163 0.000 2.024 593 A HA -0.152 4.170 4.320 0.002 0.000 0.220 593 A C 2.088 179.862 177.584 0.316 0.000 1.164 593 A CA 1.272 53.418 52.037 0.182 0.000 0.643 593 A CB -0.685 18.385 19.000 0.117 0.000 0.806 593 A HN 0.597 nan 8.150 nan 0.000 0.451 594 I N -3.453 117.292 120.570 0.292 0.000 3.875 594 I HA 0.148 4.319 4.170 0.002 0.000 0.329 594 I C 0.408 176.638 176.117 0.188 0.000 1.295 594 I CA -0.458 60.987 61.300 0.241 0.000 1.129 594 I CB -0.593 37.518 38.000 0.184 0.000 1.008 594 I HN 0.192 nan 8.210 nan 0.000 0.413 595 N N 3.190 122.041 118.700 0.253 0.000 2.292 595 N HA -0.121 4.620 4.740 0.002 0.000 0.258 595 N C 0.215 175.772 175.510 0.077 0.000 1.261 595 N CA 0.559 53.746 53.050 0.229 0.000 0.845 595 N CB 0.319 38.894 38.487 0.147 0.000 1.064 595 N HN 0.420 nan 8.380 nan 0.000 0.471 596 R N 0.616 121.138 120.500 0.038 0.000 4.016 596 R HA -0.171 4.171 4.340 0.002 0.000 0.385 596 R C -0.268 175.947 176.300 -0.142 0.000 1.158 596 R CA 0.830 56.909 56.100 -0.035 0.000 1.117 596 R CB -0.739 29.550 30.300 -0.019 0.000 1.635 596 R HN 0.617 nan 8.270 nan 0.000 0.560 597 R N 0.449 120.867 120.500 -0.137 0.000 2.635 597 R HA 0.281 4.623 4.340 0.002 0.000 0.393 597 R C -0.301 176.010 176.300 0.018 0.000 1.070 597 R CA -0.230 55.679 56.100 -0.318 0.000 1.118 597 R CB 0.327 30.415 30.300 -0.353 0.000 1.341 597 R HN 0.106 nan 8.270 nan 0.000 0.628 598 L N -0.104 121.198 121.223 0.132 0.000 2.483 598 L HA 0.176 4.518 4.340 0.002 0.000 0.276 598 L C 1.331 178.444 176.870 0.404 0.000 1.213 598 L CA 0.835 55.773 54.840 0.165 0.000 0.843 598 L CB 0.406 42.350 42.059 -0.191 0.000 1.107 598 L HN 0.628 nan 8.230 nan 0.000 0.487 599 G N 0.942 110.022 108.800 0.467 0.000 2.246 599 G HA2 -0.285 3.677 3.960 0.002 0.000 0.273 599 G HA3 -0.285 3.677 3.960 0.002 0.000 0.273 599 G C 0.425 175.408 174.900 0.139 0.000 1.055 599 G CA 0.620 45.914 45.100 0.323 0.000 0.851 599 G HN 0.925 nan 8.290 nan 0.000 0.500 600 T N -4.161 110.431 114.554 0.064 0.000 2.964 600 T HA 0.456 4.807 4.350 0.002 0.000 0.161 600 T C 1.626 176.280 174.700 -0.076 0.000 0.859 600 T CA 0.905 62.928 62.100 -0.129 0.000 1.015 600 T CB 0.040 68.644 68.868 -0.441 0.000 2.138 600 T HN 0.179 nan 8.240 nan 0.000 0.367 601 F N 3.522 123.515 119.950 0.071 0.000 2.161 601 F HA 0.059 4.588 4.527 0.002 0.000 0.300 601 F C 2.818 178.654 175.800 0.060 0.000 1.089 601 F CA 1.398 59.428 58.000 0.051 0.000 1.282 601 F CB -0.640 38.389 39.000 0.048 0.000 1.010 601 F HN 0.552 nan 8.300 nan 0.000 0.485 602 E N 1.290 121.646 120.200 0.260 0.000 2.150 602 E HA -0.147 4.205 4.350 0.002 0.000 0.193 602 E C 2.209 178.912 176.600 0.172 0.000 0.985 602 E CA 1.761 58.290 56.400 0.214 0.000 0.814 602 E CB -1.211 28.619 29.700 0.217 0.000 0.752 602 E HN 0.377 nan 8.360 nan 0.000 0.466 603 V N -0.224 119.762 119.914 0.120 0.000 2.407 603 V HA -0.109 4.013 4.120 0.002 0.000 0.245 603 V C 2.066 178.186 176.094 0.043 0.000 1.041 603 V CA 1.620 63.945 62.300 0.042 0.000 1.040 603 V CB -0.479 31.311 31.823 -0.055 0.000 0.671 603 V HN 0.063 nan 8.190 nan 0.000 0.455 604 E N 0.548 120.791 120.200 0.071 0.000 2.085 604 E HA -0.232 4.119 4.350 0.002 0.000 0.194 604 E C 1.959 178.585 176.600 0.042 0.000 0.994 604 E CA 1.865 58.306 56.400 0.069 0.000 0.801 604 E CB -0.246 29.536 29.700 0.136 0.000 0.743 604 E HN 0.649 nan 8.360 nan 0.000 0.453 605 D N 0.022 120.465 120.400 0.071 0.000 2.224 605 D HA -0.118 4.523 4.640 0.002 0.000 0.205 605 D C 1.877 178.147 176.300 -0.051 0.000 0.965 605 D CA 0.714 54.725 54.000 0.018 0.000 0.852 605 D CB -0.070 40.796 40.800 0.110 0.000 0.947 605 D HN 0.022 nan 8.370 nan 0.000 0.494 606 Q N 0.265 120.101 119.800 0.059 0.000 2.123 606 Q HA 0.029 4.371 4.340 0.002 0.000 0.199 606 Q C 2.088 178.094 176.000 0.011 0.000 0.966 606 Q CA 0.744 56.585 55.803 0.064 0.000 0.845 606 Q CB -0.109 28.701 28.738 0.120 0.000 0.907 606 Q HN 0.329 nan 8.270 nan 0.000 0.439 607 I N -0.018 120.572 120.570 0.033 0.000 2.202 607 I HA -0.198 3.974 4.170 0.002 0.000 0.242 607 I C 2.167 178.222 176.117 -0.103 0.000 1.091 607 I CA 0.888 62.242 61.300 0.089 0.000 1.368 607 I CB -0.280 37.774 38.000 0.090 0.000 1.058 607 I HN 0.160 nan 8.210 nan 0.000 0.410 608 E N 1.311 121.401 120.200 -0.183 0.000 2.085 608 E HA -0.232 4.119 4.350 0.002 0.000 0.194 608 E C 2.248 178.537 176.600 -0.517 0.000 0.994 608 E CA 1.719 57.949 56.400 -0.283 0.000 0.801 608 E CB -0.259 29.290 29.700 -0.251 0.000 0.743 608 E HN 0.471 nan 8.360 nan 0.000 0.453 609 A N 0.988 123.337 122.820 -0.784 0.000 1.858 609 A HA -0.121 4.201 4.320 0.002 0.000 0.216 609 A C 2.454 179.235 177.584 -1.338 0.000 1.190 609 A CA 2.547 53.780 52.037 -1.339 0.000 0.617 609 A CB -0.897 17.101 19.000 -1.670 0.000 0.827 609 A HN 0.311 nan 8.150 nan 0.000 0.443 610 A N -0.559 121.884 122.820 -0.628 0.000 1.883 610 A HA -0.215 4.106 4.320 0.002 0.000 0.217 610 A C 2.261 179.616 177.584 -0.381 0.000 1.186 610 A CA 1.869 53.711 52.037 -0.325 0.000 0.624 610 A CB -0.567 18.340 19.000 -0.154 0.000 0.822 610 A HN 0.541 nan 8.150 nan 0.000 0.444 611 R N -0.697 119.579 120.500 -0.373 0.000 2.103 611 R HA -0.186 4.155 4.340 0.002 0.000 0.242 611 R C 2.367 178.481 176.300 -0.310 0.000 1.142 611 R CA 1.923 57.845 56.100 -0.296 0.000 0.960 611 R CB -0.238 29.918 30.300 -0.241 0.000 0.858 611 R HN 0.672 nan 8.270 nan 0.000 0.439 612 Q N -0.982 118.551 119.800 -0.445 0.000 2.245 612 Q HA -0.102 4.240 4.340 0.002 0.000 0.201 612 Q C 1.749 177.576 176.000 -0.290 0.000 0.955 612 Q CA 0.824 56.400 55.803 -0.378 0.000 0.870 612 Q CB 0.132 28.619 28.738 -0.420 0.000 0.945 612 Q HN 0.322 nan 8.270 nan 0.000 0.461 613 F N 0.755 120.532 119.950 -0.288 0.000 2.259 613 F HA -0.115 4.413 4.527 0.003 0.000 0.298 613 F C 2.650 178.223 175.800 -0.378 0.000 1.088 613 F CA 1.098 58.895 58.000 -0.339 0.000 1.358 613 F CB -0.937 37.895 39.000 -0.279 0.000 1.040 613 F HN 0.035 nan 8.300 nan 0.000 0.505 614 S N -0.141 115.477 115.700 -0.136 0.000 2.383 614 S HA -0.170 4.301 4.470 0.002 0.000 0.227 614 S C 1.870 176.360 174.600 -0.183 0.000 1.026 614 S CA 0.784 58.878 58.200 -0.177 0.000 0.981 614 S CB -0.458 62.647 63.200 -0.157 0.000 0.818 614 S HN 0.162 nan 8.310 nan 0.000 0.472 615 K N 1.130 121.434 120.400 -0.161 0.000 2.360 615 K HA 0.197 4.519 4.320 0.002 0.000 0.201 615 K C 1.808 178.334 176.600 -0.123 0.000 1.046 615 K CA 0.921 57.133 56.287 -0.125 0.000 0.945 615 K CB -0.478 31.958 32.500 -0.107 0.000 0.750 615 K HN 0.463 nan 8.250 nan 0.000 0.464 616 M N -1.598 117.883 119.600 -0.199 0.000 2.562 616 M HA 0.052 4.534 4.480 0.002 0.000 0.257 616 M C 1.176 177.371 176.300 -0.176 0.000 1.099 616 M CA 1.002 56.184 55.300 -0.196 0.000 1.099 616 M CB 0.397 32.812 32.600 -0.309 0.000 1.427 616 M HN 0.416 nan 8.290 nan 0.000 0.489 617 G N 0.602 109.270 108.800 -0.220 0.000 2.234 617 G HA2 -0.287 3.674 3.960 0.002 0.000 0.235 617 G HA3 -0.287 3.674 3.960 0.002 0.000 0.235 617 G C 0.468 175.386 174.900 0.030 0.000 0.997 617 G CA 0.267 45.338 45.100 -0.048 0.000 0.623 617 G HN 0.592 nan 8.290 nan 0.000 0.514 618 F N 0.293 120.303 119.950 0.099 0.000 2.654 618 F HA 0.769 5.298 4.527 0.002 0.000 0.303 618 F C 0.105 176.034 175.800 0.215 0.000 1.099 618 F CA -1.067 57.034 58.000 0.168 0.000 1.270 618 F CB 0.311 39.471 39.000 0.268 0.000 1.024 618 F HN 0.074 nan 8.300 nan 0.000 0.548 619 V N 1.495 121.369 119.914 -0.068 0.000 2.417 619 V HA 0.210 4.331 4.120 0.002 0.000 0.291 619 V C -0.686 175.376 176.094 -0.053 0.000 1.024 619 V CA -0.789 61.492 62.300 -0.031 0.000 0.861 619 V CB 1.513 33.255 31.823 -0.136 0.000 0.985 619 V HN 0.083 nan 8.190 nan 0.000 0.436 620 D N 3.830 124.201 120.400 -0.049 0.000 2.342 620 D HA 0.038 4.680 4.640 0.002 0.000 0.260 620 D C 1.053 177.298 176.300 -0.090 0.000 1.278 620 D CA -0.164 53.787 54.000 -0.082 0.000 0.910 620 D CB 0.715 41.450 40.800 -0.108 0.000 1.079 620 D HN 0.659 nan 8.370 nan 0.000 0.496 621 N N 2.912 121.560 118.700 -0.087 0.000 2.521 621 N HA -0.078 4.663 4.740 0.002 0.000 0.188 621 N C 0.711 176.176 175.510 -0.075 0.000 1.146 621 N CA 0.361 53.353 53.050 -0.096 0.000 0.893 621 N CB 0.025 38.444 38.487 -0.112 0.000 0.975 621 N HN 0.330 nan 8.380 nan 0.000 0.451 622 K N -0.108 120.259 120.400 -0.054 0.000 2.426 622 K HA 0.204 4.526 4.320 0.002 0.000 0.193 622 K C 0.155 176.764 176.600 0.016 0.000 1.028 622 K CA 0.186 56.460 56.287 -0.021 0.000 1.047 622 K CB 0.374 32.863 32.500 -0.018 0.000 0.821 622 K HN 0.137 nan 8.250 nan 0.000 0.513 623 R N 1.174 121.665 120.500 -0.015 0.000 2.835 623 R HA 0.321 4.663 4.340 0.002 0.000 0.290 623 R C -1.003 175.337 176.300 0.068 0.000 1.410 623 R CA -0.157 55.965 56.100 0.037 0.000 1.590 623 R CB 0.521 30.704 30.300 -0.194 0.000 1.288 623 R HN -0.006 nan 8.270 nan 0.000 0.637 624 I N 1.013 121.674 120.570 0.151 0.000 2.354 624 I HA 0.536 4.707 4.170 0.002 0.000 0.292 624 I C 0.154 176.519 176.117 0.413 0.000 0.989 624 I CA -0.644 60.759 61.300 0.173 0.000 1.188 624 I CB 1.821 39.734 38.000 -0.145 0.000 1.342 624 I HN 0.229 nan 8.210 nan 0.000 0.457 625 A N 6.990 130.171 122.820 0.601 0.000 2.387 625 A HA 0.927 5.248 4.320 0.002 0.000 0.303 625 A C -1.113 176.845 177.584 0.624 0.000 1.145 625 A CA -0.658 51.734 52.037 0.591 0.000 0.801 625 A CB 1.926 21.151 19.000 0.374 0.000 1.342 625 A HN 0.732 nan 8.150 nan 0.000 0.440 626 I N 0.866 121.699 120.570 0.437 0.000 2.607 626 I HA 0.665 4.837 4.170 0.002 0.000 0.290 626 I C -1.880 174.475 176.117 0.397 0.000 1.129 626 I CA -0.482 60.994 61.300 0.293 0.000 1.042 626 I CB 1.413 39.283 38.000 -0.217 0.000 1.242 626 I HN 0.895 nan 8.210 nan 0.000 0.421 627 W N 7.509 128.932 121.300 0.205 0.000 3.127 627 W HA 0.878 5.540 4.660 0.003 0.000 0.330 627 W C -1.478 175.176 176.519 0.225 0.000 1.187 627 W CA -1.252 56.220 57.345 0.211 0.000 1.198 627 W CB 1.290 30.926 29.460 0.293 0.000 1.408 627 W HN 0.792 nan 8.180 nan 0.000 0.529 628 G N 1.773 110.492 108.800 -0.136 0.000 2.703 628 G HA2 0.444 4.406 3.960 0.002 0.000 0.294 628 G HA3 0.444 4.406 3.960 0.002 0.000 0.294 628 G C -2.651 172.175 174.900 -0.123 0.000 1.451 628 G CA -0.711 44.175 45.100 -0.356 0.000 0.869 628 G HN 0.569 nan 8.290 nan 0.000 0.516 629 W N 1.669 122.815 121.300 -0.257 0.000 2.520 629 W HA 0.589 5.251 4.660 0.002 0.000 0.323 629 W C 0.773 177.295 176.519 0.005 0.000 1.062 629 W CA 0.494 57.779 57.345 -0.100 0.000 1.215 629 W CB 1.672 31.084 29.460 -0.079 0.000 1.340 629 W HN 1.204 nan 8.180 nan 0.000 0.516 630 S N 3.242 119.130 115.700 0.314 0.000 4.074 630 S HA -0.407 4.065 4.470 0.002 0.000 0.626 630 S C 1.064 175.740 174.600 0.127 0.000 1.989 630 S CA 1.323 59.740 58.200 0.361 0.000 4.158 630 S CB -1.834 61.724 63.200 0.597 0.000 0.211 630 S HN 0.678 nan 8.310 nan 0.000 0.599 631 Y N 2.318 122.585 120.300 -0.055 0.000 2.193 631 Y HA 0.000 4.552 4.550 0.002 0.000 0.285 631 Y C 2.447 178.245 175.900 -0.169 0.000 1.166 631 Y CA 2.887 60.863 58.100 -0.207 0.000 1.181 631 Y CB -1.063 37.092 38.460 -0.509 0.000 0.976 631 Y HN 0.599 nan 8.280 nan 0.000 0.520 632 G N -1.100 107.676 108.800 -0.040 0.000 2.448 632 G HA2 -0.229 3.733 3.960 0.002 0.000 0.219 632 G HA3 -0.229 3.733 3.960 0.002 0.000 0.219 632 G C 1.885 176.787 174.900 0.003 0.000 1.127 632 G CA 0.784 45.900 45.100 0.027 0.000 0.766 632 G HN 0.590 nan 8.290 nan 0.000 0.552 633 G N -0.160 108.646 108.800 0.011 0.000 2.394 633 G HA2 -0.204 3.758 3.960 0.002 0.000 0.215 633 G HA3 -0.204 3.758 3.960 0.002 0.000 0.215 633 G C 1.591 176.485 174.900 -0.010 0.000 1.165 633 G CA 1.000 46.094 45.100 -0.010 0.000 0.784 633 G HN 0.405 nan 8.290 nan 0.000 0.535 634 Y N 1.376 121.547 120.300 -0.215 0.000 2.128 634 Y HA -0.136 4.415 4.550 0.002 0.000 0.284 634 Y C 2.740 178.521 175.900 -0.199 0.000 1.154 634 Y CA 1.668 59.593 58.100 -0.293 0.000 1.149 634 Y CB -0.441 37.690 38.460 -0.550 0.000 0.976 634 Y HN 0.034 nan 8.280 nan 0.000 0.505 635 V N -0.325 119.442 119.914 -0.246 0.000 2.307 635 V HA -0.303 3.819 4.120 0.002 0.000 0.245 635 V C 2.305 178.273 176.094 -0.210 0.000 1.045 635 V CA 2.377 64.529 62.300 -0.246 0.000 1.024 635 V CB -1.178 30.646 31.823 0.001 0.000 0.651 635 V HN 0.486 nan 8.190 nan 0.000 0.449 636 T N 0.001 114.483 114.554 -0.119 0.000 2.597 636 T HA -0.254 4.098 4.350 0.002 0.000 0.267 636 T C 2.124 176.751 174.700 -0.120 0.000 1.053 636 T CA 2.182 64.221 62.100 -0.102 0.000 1.165 636 T CB -0.406 68.472 68.868 0.017 0.000 0.863 636 T HN 0.478 nan 8.240 nan 0.000 0.427 637 S N 0.798 116.467 115.700 -0.051 0.000 2.383 637 S HA -0.043 4.428 4.470 0.002 0.000 0.229 637 S C 2.111 176.620 174.600 -0.152 0.000 1.030 637 S CA 1.007 59.203 58.200 -0.006 0.000 1.002 637 S CB -0.301 62.939 63.200 0.067 0.000 0.829 637 S HN 0.331 nan 8.310 nan 0.000 0.467 638 M N 0.527 119.944 119.600 -0.305 0.000 2.254 638 M HA 0.006 4.487 4.480 0.002 0.000 0.265 638 M C 2.145 178.274 176.300 -0.284 0.000 1.066 638 M CA 0.914 56.011 55.300 -0.338 0.000 1.123 638 M CB -1.169 31.115 32.600 -0.528 0.000 1.388 638 M HN 0.187 nan 8.290 nan 0.000 0.425 639 V N 0.783 120.520 119.914 -0.296 0.000 2.270 639 V HA -0.240 3.881 4.120 0.002 0.000 0.245 639 V C 2.494 178.378 176.094 -0.350 0.000 1.043 639 V CA 1.396 63.517 62.300 -0.298 0.000 1.014 639 V CB -0.634 30.953 31.823 -0.394 0.000 0.645 639 V HN 0.385 nan 8.190 nan 0.000 0.447 640 L N 0.492 121.442 121.223 -0.456 0.000 2.129 640 L HA -0.143 4.199 4.340 0.002 0.000 0.212 640 L C 2.197 178.525 176.870 -0.903 0.000 1.087 640 L CA 1.693 56.163 54.840 -0.617 0.000 0.757 640 L CB -0.762 40.874 42.059 -0.704 0.000 0.896 640 L HN 0.507 nan 8.230 nan 0.000 0.434 641 G N -1.582 106.705 108.800 -0.855 0.000 3.189 641 G HA2 -0.035 3.927 3.960 0.002 0.000 0.225 641 G HA3 -0.035 3.927 3.960 0.002 0.000 0.225 641 G C 1.504 176.247 174.900 -0.261 0.000 1.159 641 G CA 0.535 45.267 45.100 -0.614 0.000 0.763 641 G HN 0.436 nan 8.290 nan 0.000 0.549 642 S N -0.314 115.249 115.700 -0.229 0.000 2.453 642 S HA 0.244 4.715 4.470 0.002 0.000 0.231 642 S C 1.955 176.503 174.600 -0.086 0.000 1.005 642 S CA 1.032 59.158 58.200 -0.124 0.000 0.949 642 S CB -0.269 62.874 63.200 -0.096 0.000 0.774 642 S HN 1.412 nan 8.310 nan 0.000 0.510 643 G N 1.123 109.861 108.800 -0.104 0.000 2.176 643 G HA2 -0.308 3.653 3.960 0.002 0.000 0.252 643 G HA3 -0.308 3.653 3.960 0.002 0.000 0.252 643 G C 0.808 175.689 174.900 -0.033 0.000 1.024 643 G CA 0.866 45.928 45.100 -0.062 0.000 0.755 643 G HN 1.289 nan 8.290 nan 0.000 0.507 644 S N -1.010 114.679 115.700 -0.018 0.000 2.478 644 S HA 0.386 4.857 4.470 0.002 0.000 0.222 644 S C 2.393 176.994 174.600 0.002 0.000 1.008 644 S CA 1.489 59.691 58.200 0.003 0.000 0.928 644 S CB 0.080 63.301 63.200 0.035 0.000 0.781 644 S HN 2.342 nan 8.310 nan 0.000 0.518 645 G N 0.551 109.360 108.800 0.014 0.000 2.189 645 G HA2 -0.303 3.658 3.960 0.002 0.000 0.267 645 G HA3 -0.303 3.658 3.960 0.002 0.000 0.267 645 G C 0.812 175.698 174.900 -0.023 0.000 0.975 645 G CA 0.477 45.579 45.100 0.003 0.000 0.644 645 G HN 0.695 nan 8.290 nan 0.000 0.537 646 V N -0.638 119.248 119.914 -0.047 0.000 2.515 646 V HA 0.167 4.289 4.120 0.002 0.000 0.250 646 V C 1.213 177.051 176.094 -0.426 0.000 1.058 646 V CA 1.609 63.736 62.300 -0.288 0.000 1.064 646 V CB -0.398 31.148 31.823 -0.462 0.000 0.675 646 V HN 0.333 nan 8.190 nan 0.000 0.461 647 F N -0.306 119.649 119.950 0.009 0.000 2.436 647 F HA 0.400 4.928 4.527 0.002 0.000 0.340 647 F C 1.031 176.866 175.800 0.059 0.000 1.113 647 F CA -0.655 57.377 58.000 0.052 0.000 1.022 647 F CB 1.460 40.490 39.000 0.050 0.000 1.128 647 F HN -0.267 nan 8.300 nan 0.000 0.466 648 K N 1.742 122.284 120.400 0.236 0.000 2.228 648 K HA 0.095 4.416 4.320 0.002 0.000 0.202 648 K C -0.150 176.567 176.600 0.195 0.000 1.051 648 K CA 0.873 57.267 56.287 0.178 0.000 0.960 648 K CB 0.220 32.819 32.500 0.164 0.000 0.743 648 K HN 0.807 nan 8.250 nan 0.000 0.458 649 c N -3.670 115.087 118.600 0.262 0.000 3.275 649 c HA 0.860 5.432 4.570 0.002 0.000 0.340 649 c C -0.357 173.951 174.090 0.363 0.000 1.366 649 c CA -0.519 55.988 56.329 0.297 0.000 1.227 649 c CB 1.077 43.684 42.510 0.163 0.000 1.512 649 c HN 0.337 nan 8.230 nan 0.000 0.461 650 G N -0.094 108.989 108.800 0.473 0.000 2.523 650 G HA2 0.664 4.625 3.960 0.002 0.000 0.291 650 G HA3 0.664 4.625 3.960 0.002 0.000 0.291 650 G C -2.029 173.095 174.900 0.373 0.000 1.450 650 G CA -0.686 44.667 45.100 0.421 0.000 0.790 650 G HN 1.139 nan 8.290 nan 0.000 0.496 651 I N 0.604 121.356 120.570 0.303 0.000 2.436 651 I HA 0.613 4.785 4.170 0.002 0.000 0.289 651 I C 0.153 176.352 176.117 0.138 0.000 1.010 651 I CA -1.024 60.330 61.300 0.089 0.000 1.098 651 I CB 2.057 40.115 38.000 0.096 0.000 1.266 651 I HN 0.670 nan 8.210 nan 0.000 0.434 652 A N 6.657 129.445 122.820 -0.053 0.000 2.273 652 A HA 0.713 5.035 4.320 0.002 0.000 0.315 652 A C -0.604 176.862 177.584 -0.197 0.000 1.256 652 A CA -0.484 51.531 52.037 -0.036 0.000 0.851 652 A CB 1.002 20.054 19.000 0.087 0.000 1.172 652 A HN 0.467 nan 8.150 nan 0.000 0.508 653 V N 2.353 122.106 119.914 -0.268 0.000 2.370 653 V HA 0.543 4.665 4.120 0.002 0.000 0.283 653 V C 0.969 176.674 176.094 -0.648 0.000 1.023 653 V CA 0.382 62.320 62.300 -0.603 0.000 0.857 653 V CB 0.711 31.872 31.823 -1.103 0.000 0.985 653 V HN 2.024 nan 8.190 nan 0.000 0.443 654 A N 5.854 128.272 122.820 -0.669 0.000 2.511 654 A HA -0.103 4.219 4.320 0.002 0.000 0.297 654 A C -1.903 175.530 177.584 -0.252 0.000 1.476 654 A CA 0.289 51.865 52.037 -0.768 0.000 0.757 654 A CB -1.584 17.077 19.000 -0.566 0.000 1.072 654 A HN 0.606 nan 8.150 nan 0.000 0.413 655 P HA 0.426 nan 4.420 nan 0.000 0.277 655 P C 0.292 177.544 177.300 -0.080 0.000 1.240 655 P CA -0.225 62.836 63.100 -0.065 0.000 0.798 655 P CB 1.145 32.828 31.700 -0.028 0.000 0.979 656 V N 2.147 121.913 119.914 -0.246 0.000 2.715 656 V HA 0.057 4.179 4.120 0.002 0.000 0.299 656 V C 1.760 177.640 176.094 -0.357 0.000 1.054 656 V CA 1.158 63.168 62.300 -0.483 0.000 1.077 656 V CB 0.615 31.747 31.823 -1.152 0.000 0.972 656 V HN 0.853 nan 8.190 nan 0.000 0.484 657 S N 3.592 119.116 115.700 -0.294 0.000 2.613 657 S HA 0.259 4.731 4.470 0.002 0.000 0.235 657 S C 0.440 174.868 174.600 -0.287 0.000 1.073 657 S CA -0.379 57.729 58.200 -0.153 0.000 0.899 657 S CB 0.393 63.577 63.200 -0.028 0.000 0.818 657 S HN 0.842 nan 8.310 nan 0.000 0.484 658 R N -1.254 118.962 120.500 -0.473 0.000 2.626 658 R HA 0.544 4.885 4.340 0.002 0.000 0.274 658 R C -0.833 175.116 176.300 -0.585 0.000 1.031 658 R CA -0.929 54.806 56.100 -0.609 0.000 0.898 658 R CB -0.024 29.939 30.300 -0.563 0.000 1.222 658 R HN 0.142 nan 8.270 nan 0.000 0.455 659 W N 1.000 122.209 121.300 -0.152 0.000 2.392 659 W HA -0.015 4.646 4.660 0.003 0.000 0.279 659 W C 1.194 177.855 176.519 0.237 0.000 1.225 659 W CA 0.865 58.222 57.345 0.021 0.000 1.233 659 W CB 0.143 29.531 29.460 -0.120 0.000 1.122 659 W HN 0.748 nan 8.180 nan 0.000 0.561 660 E N -0.851 119.528 120.200 0.299 0.000 2.333 660 E HA -0.212 4.140 4.350 0.002 0.000 0.198 660 E C 1.491 178.242 176.600 0.253 0.000 1.007 660 E CA 1.054 57.559 56.400 0.176 0.000 0.845 660 E CB -0.281 29.416 29.700 -0.004 0.000 0.766 660 E HN 0.357 nan 8.360 nan 0.000 0.507 661 Y N -1.371 119.023 120.300 0.156 0.000 2.420 661 Y HA 0.013 4.564 4.550 0.002 0.000 0.292 661 Y C 0.849 176.874 175.900 0.208 0.000 1.119 661 Y CA -0.128 58.041 58.100 0.117 0.000 1.229 661 Y CB -0.559 37.910 38.460 0.015 0.000 1.026 661 Y HN 0.026 nan 8.280 nan 0.000 0.554 662 Y N 2.119 122.589 120.300 0.285 0.000 2.295 662 Y HA 0.224 4.775 4.550 0.002 0.000 0.331 662 Y C 0.499 176.635 175.900 0.394 0.000 1.311 662 Y CA -1.848 56.440 58.100 0.313 0.000 1.430 662 Y CB 0.219 38.895 38.460 0.360 0.000 1.339 662 Y HN 0.214 nan 8.280 nan 0.000 0.552 663 D N -0.547 119.664 120.400 -0.315 0.000 2.368 663 D HA 0.064 4.706 4.640 0.002 0.000 0.240 663 D C 0.951 177.241 176.300 -0.015 0.000 1.169 663 D CA 0.404 54.230 54.000 -0.291 0.000 0.906 663 D CB 0.765 41.129 40.800 -0.728 0.000 1.187 663 D HN 0.469 nan 8.370 nan 0.000 0.435 664 S N 0.862 116.558 115.700 -0.006 0.000 2.356 664 S HA -0.207 4.265 4.470 0.002 0.000 0.223 664 S C 1.916 176.545 174.600 0.048 0.000 1.032 664 S CA 1.157 59.403 58.200 0.076 0.000 1.005 664 S CB -0.972 62.283 63.200 0.091 0.000 0.867 664 S HN 0.433 nan 8.310 nan 0.000 0.449 665 V N 0.749 120.631 119.914 -0.054 0.000 2.295 665 V HA -0.149 3.972 4.120 0.002 0.000 0.246 665 V C 2.303 178.308 176.094 -0.148 0.000 1.049 665 V CA 2.122 64.294 62.300 -0.213 0.000 1.024 665 V CB -1.103 30.445 31.823 -0.458 0.000 0.648 665 V HN 0.570 nan 8.190 nan 0.000 0.447 666 Y N 1.442 121.691 120.300 -0.084 0.000 2.109 666 Y HA -0.233 4.318 4.550 0.003 0.000 0.285 666 Y C 2.764 178.714 175.900 0.084 0.000 1.131 666 Y CA 2.365 60.510 58.100 0.074 0.000 1.121 666 Y CB -0.632 38.051 38.460 0.372 0.000 0.987 666 Y HN 0.210 nan 8.280 nan 0.000 0.495 667 T N 0.359 115.153 114.554 0.400 0.000 2.652 667 T HA -0.223 4.128 4.350 0.002 0.000 0.267 667 T C 1.593 176.296 174.700 0.006 0.000 1.039 667 T CA 2.038 64.305 62.100 0.277 0.000 1.153 667 T CB -0.332 68.836 68.868 0.499 0.000 0.863 667 T HN 0.445 nan 8.240 nan 0.000 0.428 668 E N 0.408 120.620 120.200 0.019 0.000 2.150 668 E HA -0.061 4.291 4.350 0.002 0.000 0.193 668 E C 2.363 178.847 176.600 -0.194 0.000 0.985 668 E CA 0.438 56.837 56.400 -0.002 0.000 0.814 668 E CB -0.117 29.626 29.700 0.072 0.000 0.752 668 E HN 0.304 nan 8.360 nan 0.000 0.466 669 R N -0.006 120.224 120.500 -0.450 0.000 2.133 669 R HA -0.217 4.124 4.340 0.002 0.000 0.247 669 R C 1.249 176.991 176.300 -0.930 0.000 1.151 669 R CA 1.714 57.339 56.100 -0.791 0.000 0.971 669 R CB -0.045 29.454 30.300 -1.335 0.000 0.866 669 R HN 0.251 nan 8.270 nan 0.000 0.447 670 Y N -2.538 117.442 120.300 -0.533 0.000 2.507 670 Y HA 0.213 4.764 4.550 0.003 0.000 0.263 670 Y C 1.692 177.404 175.900 -0.314 0.000 1.093 670 Y CA 0.053 57.828 58.100 -0.541 0.000 1.285 670 Y CB 0.455 38.467 38.460 -0.747 0.000 1.115 670 Y HN -0.030 nan 8.280 nan 0.000 0.533 671 M N -0.658 118.846 119.600 -0.159 0.000 2.331 671 M HA 0.363 4.844 4.480 0.002 0.000 0.266 671 M C 1.163 177.490 176.300 0.045 0.000 1.055 671 M CA 0.810 56.022 55.300 -0.148 0.000 1.048 671 M CB -0.254 32.076 32.600 -0.451 0.000 1.460 671 M HN 0.320 nan 8.290 nan 0.000 0.519 672 G N 1.969 110.806 108.800 0.061 0.000 2.601 672 G HA2 -0.219 3.742 3.960 0.002 0.000 0.252 672 G HA3 -0.219 3.742 3.960 0.002 0.000 0.252 672 G C -0.707 174.334 174.900 0.235 0.000 1.294 672 G CA -0.730 44.442 45.100 0.121 0.000 0.912 672 G HN 0.244 nan 8.290 nan 0.000 0.574 673 L N 2.409 123.736 121.223 0.173 0.000 2.325 673 L HA 0.534 4.875 4.340 0.002 0.000 0.279 673 L C -1.499 175.374 176.870 0.005 0.000 1.054 673 L CA -2.046 52.846 54.840 0.087 0.000 0.804 673 L CB 1.201 43.277 42.059 0.029 0.000 1.200 673 L HN 0.404 nan 8.230 nan 0.000 0.436 674 P HA 0.140 nan 4.420 nan 0.000 0.225 674 P C -0.732 176.440 177.300 -0.212 0.000 1.813 674 P CA -0.184 62.555 63.100 -0.602 0.000 1.013 674 P CB -0.420 30.576 31.700 -1.174 0.000 1.961 675 T N -2.040 112.472 114.554 -0.069 0.000 2.907 675 T HA 0.492 4.843 4.350 0.002 0.000 0.292 675 T C -2.302 172.406 174.700 0.012 0.000 1.043 675 T CA -2.554 59.529 62.100 -0.027 0.000 1.003 675 T CB 1.854 70.713 68.868 -0.014 0.000 1.084 675 T HN -0.279 nan 8.240 nan 0.000 0.483 676 P HA -0.092 nan 4.420 nan 0.000 0.216 676 P C 1.004 178.323 177.300 0.030 0.000 1.153 676 P CA 1.164 64.279 63.100 0.026 0.000 0.858 676 P CB 0.004 31.714 31.700 0.017 0.000 0.789 677 E N -1.215 118.998 120.200 0.022 0.000 2.333 677 E HA -0.141 4.210 4.350 0.002 0.000 0.198 677 E C 1.411 178.030 176.600 0.031 0.000 1.007 677 E CA 1.050 57.463 56.400 0.022 0.000 0.845 677 E CB -0.407 29.301 29.700 0.013 0.000 0.766 677 E HN 0.356 nan 8.360 nan 0.000 0.507 678 D N -0.772 119.655 120.400 0.044 0.000 3.112 678 D HA 0.098 4.740 4.640 0.002 0.000 0.212 678 D C 0.154 176.513 176.300 0.098 0.000 1.376 678 D CA -0.006 54.032 54.000 0.064 0.000 1.411 678 D CB -0.043 40.797 40.800 0.067 0.000 0.965 678 D HN -0.005 nan 8.370 nan 0.000 0.192 679 N N 0.213 119.007 118.700 0.156 0.000 2.377 679 N HA 0.063 4.804 4.740 0.002 0.000 0.259 679 N C 1.140 176.858 175.510 0.347 0.000 1.332 679 N CA -0.081 53.108 53.050 0.233 0.000 0.877 679 N CB 0.970 39.608 38.487 0.252 0.000 1.299 679 N HN 0.016 nan 8.380 nan 0.000 0.501 680 L N 1.029 122.381 121.223 0.216 0.000 2.042 680 L HA -0.127 4.214 4.340 0.002 0.000 0.210 680 L C 1.507 178.499 176.870 0.205 0.000 1.076 680 L CA 1.985 56.934 54.840 0.181 0.000 0.749 680 L CB -0.316 41.777 42.059 0.055 0.000 0.893 680 L HN 0.136 nan 8.230 nan 0.000 0.432 681 D N -1.382 119.114 120.400 0.160 0.000 2.133 681 D HA -0.268 4.373 4.640 0.002 0.000 0.195 681 D C 2.039 178.440 176.300 0.168 0.000 0.997 681 D CA 1.833 55.914 54.000 0.135 0.000 0.840 681 D CB -0.188 40.677 40.800 0.109 0.000 0.947 681 D HN 0.576 nan 8.370 nan 0.000 0.452 682 H N -0.898 118.235 119.070 0.104 0.000 2.436 682 H HA -0.046 4.512 4.556 0.002 0.000 0.294 682 H C 1.699 177.081 175.328 0.091 0.000 1.048 682 H CA 1.066 57.153 56.048 0.065 0.000 1.353 682 H CB -0.254 29.513 29.762 0.008 0.000 1.414 682 H HN 0.117 nan 8.280 nan 0.000 0.536 683 Y N 0.458 120.766 120.300 0.013 0.000 2.114 683 Y HA -0.236 4.316 4.550 0.002 0.000 0.282 683 Y C 2.393 178.267 175.900 -0.044 0.000 1.165 683 Y CA 1.692 59.797 58.100 0.009 0.000 1.148 683 Y CB 0.062 38.553 38.460 0.051 0.000 0.972 683 Y HN 0.138 nan 8.280 nan 0.000 0.504 684 R N -0.270 120.309 120.500 0.132 0.000 2.148 684 R HA -0.074 4.267 4.340 0.002 0.000 0.223 684 R C 1.501 177.800 176.300 -0.002 0.000 1.088 684 R CA 1.060 57.188 56.100 0.047 0.000 0.985 684 R CB -0.932 29.398 30.300 0.049 0.000 0.880 684 R HN 0.383 nan 8.270 nan 0.000 0.451 685 N N 0.139 118.822 118.700 -0.028 0.000 2.446 685 N HA -0.068 4.674 4.740 0.002 0.000 0.179 685 N C 0.531 175.991 175.510 -0.083 0.000 1.054 685 N CA 0.827 53.856 53.050 -0.034 0.000 0.905 685 N CB 0.253 38.761 38.487 0.035 0.000 0.973 685 N HN 0.137 nan 8.380 nan 0.000 0.448 686 S N -0.993 114.607 115.700 -0.166 0.000 2.561 686 S HA 0.120 4.592 4.470 0.002 0.000 0.245 686 S C 0.403 175.027 174.600 0.039 0.000 1.001 686 S CA -0.759 57.392 58.200 -0.082 0.000 1.002 686 S CB -0.686 62.400 63.200 -0.190 0.000 0.805 686 S HN 0.182 nan 8.310 nan 0.000 0.458 687 T N -1.278 113.262 114.554 -0.023 0.000 2.910 687 T HA 0.452 4.804 4.350 0.002 0.000 0.293 687 T C 1.381 176.065 174.700 -0.026 0.000 1.015 687 T CA -0.600 61.474 62.100 -0.044 0.000 1.094 687 T CB 1.266 70.080 68.868 -0.090 0.000 0.968 687 T HN -0.010 nan 8.240 nan 0.000 0.521 688 V N 2.961 122.857 119.914 -0.030 0.000 2.358 688 V HA -0.159 3.963 4.120 0.002 0.000 0.246 688 V C 2.706 178.766 176.094 -0.057 0.000 1.047 688 V CA 1.850 64.123 62.300 -0.046 0.000 1.035 688 V CB -0.901 30.890 31.823 -0.054 0.000 0.658 688 V HN 0.907 nan 8.190 nan 0.000 0.452 689 M N 1.148 120.702 119.600 -0.077 0.000 2.374 689 M HA -0.036 4.446 4.480 0.002 0.000 0.264 689 M C 2.180 178.449 176.300 -0.051 0.000 1.067 689 M CA 1.911 57.159 55.300 -0.087 0.000 1.103 689 M CB -1.802 30.752 32.600 -0.077 0.000 1.402 689 M HN 0.540 nan 8.290 nan 0.000 0.444 690 S N 0.574 116.255 115.700 -0.032 0.000 2.603 690 S HA 0.025 4.496 4.470 0.002 0.000 0.229 690 S C 1.621 176.222 174.600 0.002 0.000 0.972 690 S CA 0.207 58.399 58.200 -0.015 0.000 0.935 690 S CB -0.374 62.818 63.200 -0.015 0.000 0.769 690 S HN 0.624 nan 8.310 nan 0.000 0.536 691 R N -0.010 120.502 120.500 0.020 0.000 2.509 691 R HA 0.486 4.827 4.340 0.002 0.000 0.300 691 R C 2.024 178.421 176.300 0.161 0.000 0.985 691 R CA 0.450 56.588 56.100 0.064 0.000 1.092 691 R CB -0.039 30.295 30.300 0.056 0.000 1.237 691 R HN 0.420 nan 8.270 nan 0.000 0.546 692 A N 1.415 124.282 122.820 0.078 0.000 1.917 692 A HA -0.282 4.040 4.320 0.002 0.000 0.219 692 A C 1.998 179.671 177.584 0.148 0.000 1.182 692 A CA 1.940 54.001 52.037 0.040 0.000 0.633 692 A CB -0.277 18.667 19.000 -0.093 0.000 0.819 692 A HN 0.280 nan 8.150 nan 0.000 0.448 693 E N 0.655 120.908 120.200 0.090 0.000 2.086 693 E HA -0.238 4.113 4.350 0.002 0.000 0.200 693 E C 1.584 178.241 176.600 0.094 0.000 1.012 693 E CA 2.103 58.550 56.400 0.079 0.000 0.812 693 E CB -0.636 29.092 29.700 0.046 0.000 0.743 693 E HN 0.776 nan 8.360 nan 0.000 0.453 694 N N -1.306 117.442 118.700 0.080 0.000 2.585 694 N HA -0.108 4.633 4.740 0.002 0.000 0.188 694 N C 0.763 176.251 175.510 -0.037 0.000 1.102 694 N CA 0.352 53.404 53.050 0.004 0.000 0.920 694 N CB -0.148 38.298 38.487 -0.069 0.000 0.963 694 N HN 0.150 nan 8.380 nan 0.000 0.447 695 F N 1.087 120.994 119.950 -0.071 0.000 2.661 695 F HA 0.087 4.616 4.527 0.002 0.000 0.298 695 F C 1.834 177.635 175.800 0.002 0.000 1.137 695 F CA 0.512 58.463 58.000 -0.081 0.000 1.454 695 F CB 0.099 39.002 39.000 -0.161 0.000 1.103 695 F HN -0.111 nan 8.300 nan 0.000 0.577 696 K N -0.241 120.256 120.400 0.161 0.000 2.286 696 K HA -0.188 4.134 4.320 0.002 0.000 0.203 696 K C 1.497 178.154 176.600 0.095 0.000 1.045 696 K CA 0.913 57.274 56.287 0.123 0.000 0.935 696 K CB -0.075 32.477 32.500 0.087 0.000 0.737 696 K HN 0.213 nan 8.250 nan 0.000 0.460 697 Q N -0.014 119.821 119.800 0.059 0.000 2.319 697 Q HA 0.049 4.391 4.340 0.002 0.000 0.202 697 Q C 0.220 176.253 176.000 0.054 0.000 0.896 697 Q CA 0.238 56.065 55.803 0.040 0.000 0.942 697 Q CB 0.709 29.451 28.738 0.007 0.000 1.083 697 Q HN 0.191 nan 8.270 nan 0.000 0.510 698 V N -3.034 116.931 119.914 0.085 0.000 3.007 698 V HA 0.545 4.666 4.120 0.002 0.000 0.311 698 V C -0.792 175.446 176.094 0.239 0.000 1.120 698 V CA -1.227 61.150 62.300 0.128 0.000 0.980 698 V CB 2.469 34.319 31.823 0.045 0.000 1.033 698 V HN -0.058 nan 8.190 nan 0.000 0.429 699 E N 2.181 122.547 120.200 0.277 0.000 2.200 699 E HA 0.484 4.835 4.350 0.002 0.000 0.283 699 E C -1.731 175.240 176.600 0.617 0.000 1.015 699 E CA -0.298 56.341 56.400 0.398 0.000 0.819 699 E CB 1.559 31.421 29.700 0.271 0.000 1.081 699 E HN 0.695 nan 8.360 nan 0.000 0.397 700 Y N 3.257 123.824 120.300 0.445 0.000 2.462 700 Y HA 0.477 5.028 4.550 0.003 0.000 0.346 700 Y C -1.622 174.339 175.900 0.102 0.000 0.976 700 Y CA -1.241 57.046 58.100 0.312 0.000 1.044 700 Y CB 1.101 39.765 38.460 0.340 0.000 1.230 700 Y HN 0.427 nan 8.280 nan 0.000 0.455 701 L N 7.644 128.501 121.223 -0.611 0.000 2.376 701 L HA 0.527 4.869 4.340 0.002 0.000 0.275 701 L C -1.882 174.504 176.870 -0.807 0.000 0.987 701 L CA -0.832 53.547 54.840 -0.768 0.000 0.828 701 L CB 1.517 42.854 42.059 -1.204 0.000 1.249 701 L HN 0.685 nan 8.230 nan 0.000 0.409 702 L N 6.341 127.216 121.223 -0.580 0.000 2.319 702 L HA 0.588 4.929 4.340 0.002 0.000 0.281 702 L C -1.030 175.717 176.870 -0.205 0.000 1.005 702 L CA -0.445 54.119 54.840 -0.460 0.000 0.828 702 L CB 1.741 43.558 42.059 -0.404 0.000 1.227 702 L HN 0.605 nan 8.230 nan 0.000 0.415 703 I N 3.819 124.275 120.570 -0.190 0.000 2.608 703 I HA 0.528 4.699 4.170 0.002 0.000 0.295 703 I C -0.876 175.229 176.117 -0.020 0.000 1.049 703 I CA -0.672 60.576 61.300 -0.086 0.000 1.063 703 I CB 2.077 39.980 38.000 -0.161 0.000 1.248 703 I HN 0.507 nan 8.210 nan 0.000 0.424 704 H N 2.571 121.701 119.070 0.099 0.000 3.112 704 H HA 0.403 4.961 4.556 0.002 0.000 0.347 704 H C -0.879 174.688 175.328 0.398 0.000 1.188 704 H CA -0.615 55.540 56.048 0.179 0.000 1.240 704 H CB 2.346 32.160 29.762 0.086 0.000 1.920 704 H HN 0.739 nan 8.280 nan 0.000 0.535 705 G N 0.765 109.933 108.800 0.614 0.000 2.395 705 G HA2 0.273 4.234 3.960 0.002 0.000 0.283 705 G HA3 0.273 4.234 3.960 0.002 0.000 0.283 705 G C 1.095 176.284 174.900 0.481 0.000 1.178 705 G CA 0.186 45.589 45.100 0.505 0.000 0.837 705 G HN 0.636 nan 8.290 nan 0.000 0.518 706 T N -0.802 113.896 114.554 0.240 0.000 2.995 706 T HA 0.083 4.434 4.350 0.002 0.000 0.269 706 T C 1.805 176.512 174.700 0.012 0.000 1.091 706 T CA 1.307 63.381 62.100 -0.044 0.000 1.128 706 T CB 0.143 68.908 68.868 -0.172 0.000 0.891 706 T HN 0.655 nan 8.240 nan 0.000 0.492 707 A N 1.019 123.914 122.820 0.125 0.000 2.507 707 A HA 0.274 4.595 4.320 0.002 0.000 0.270 707 A C 0.574 178.140 177.584 -0.030 0.000 1.318 707 A CA -0.454 51.643 52.037 0.100 0.000 0.924 707 A CB -0.374 18.928 19.000 0.503 0.000 1.061 707 A HN 0.398 nan 8.150 nan 0.000 0.516 708 D N 1.730 122.141 120.400 0.017 0.000 2.368 708 D HA -0.045 4.596 4.640 0.002 0.000 0.268 708 D C 0.391 176.653 176.300 -0.063 0.000 1.298 708 D CA 0.321 54.409 54.000 0.147 0.000 0.938 708 D CB 0.571 41.609 40.800 0.397 0.000 1.101 708 D HN 0.569 nan 8.370 nan 0.000 0.509 709 D N 2.524 122.949 120.400 0.041 0.000 2.317 709 D HA -0.160 4.481 4.640 0.002 0.000 0.211 709 D C 1.045 177.298 176.300 -0.079 0.000 0.966 709 D CA 0.101 54.079 54.000 -0.037 0.000 0.876 709 D CB 0.346 41.074 40.800 -0.120 0.000 0.927 709 D HN 0.239 nan 8.370 nan 0.000 0.519 710 N N 0.754 119.501 118.700 0.078 0.000 2.335 710 N HA -0.047 4.694 4.740 0.002 0.000 0.197 710 N C -0.090 175.348 175.510 -0.119 0.000 1.045 710 N CA 0.542 53.673 53.050 0.135 0.000 0.928 710 N CB 0.395 38.981 38.487 0.165 0.000 1.118 710 N HN -0.087 nan 8.380 nan 0.000 0.471 711 V N 2.810 122.660 119.914 -0.107 0.000 2.318 711 V HA 0.226 4.348 4.120 0.002 0.000 0.271 711 V C -0.540 175.598 176.094 0.074 0.000 1.030 711 V CA -0.479 61.807 62.300 -0.024 0.000 0.844 711 V CB -0.038 31.818 31.823 0.056 0.000 1.015 711 V HN 0.286 nan 8.190 nan 0.000 0.460 712 H N 3.203 122.262 119.070 -0.019 0.000 2.790 712 H HA 0.045 4.603 4.556 0.002 0.000 0.358 712 H C 0.771 175.952 175.328 -0.244 0.000 1.103 712 H CA -0.141 55.812 56.048 -0.158 0.000 1.426 712 H CB 0.850 30.439 29.762 -0.289 0.000 1.424 712 H HN 0.623 nan 8.280 nan 0.000 0.599 713 F N 1.897 121.640 119.950 -0.345 0.000 2.147 713 F HA -0.337 4.192 4.527 0.002 0.000 0.301 713 F C 2.631 178.151 175.800 -0.466 0.000 1.084 713 F CA 1.939 59.535 58.000 -0.673 0.000 1.268 713 F CB -0.217 38.574 39.000 -0.349 0.000 1.009 713 F HN 0.679 nan 8.300 nan 0.000 0.486 714 Q N 0.067 119.741 119.800 -0.210 0.000 2.207 714 Q HA -0.359 3.983 4.340 0.002 0.000 0.215 714 Q C 2.080 177.840 176.000 -0.400 0.000 1.006 714 Q CA 2.563 58.181 55.803 -0.308 0.000 0.903 714 Q CB -0.366 28.161 28.738 -0.353 0.000 0.947 714 Q HN 0.625 nan 8.270 nan 0.000 0.414 715 Q N -0.676 118.928 119.800 -0.327 0.000 2.079 715 Q HA -0.087 4.255 4.340 0.002 0.000 0.200 715 Q C 2.241 178.139 176.000 -0.169 0.000 0.974 715 Q CA 1.602 57.322 55.803 -0.138 0.000 0.840 715 Q CB -0.020 28.723 28.738 0.008 0.000 0.898 715 Q HN 0.320 nan 8.270 nan 0.000 0.430 716 S N 0.829 116.333 115.700 -0.327 0.000 2.428 716 S HA -0.010 4.461 4.470 0.002 0.000 0.230 716 S C 2.032 176.377 174.600 -0.425 0.000 1.014 716 S CA 0.688 58.690 58.200 -0.330 0.000 0.957 716 S CB -0.071 62.944 63.200 -0.308 0.000 0.784 716 S HN 0.447 nan 8.310 nan 0.000 0.499 717 A N 1.489 123.964 122.820 -0.576 0.000 1.940 717 A HA -0.144 4.177 4.320 0.002 0.000 0.219 717 A C 2.124 179.601 177.584 -0.179 0.000 1.176 717 A CA 1.170 52.994 52.037 -0.356 0.000 0.631 717 A CB -0.400 18.451 19.000 -0.248 0.000 0.814 717 A HN 0.375 nan 8.150 nan 0.000 0.446 718 Q N -0.554 119.152 119.800 -0.156 0.000 2.245 718 Q HA 0.021 4.362 4.340 0.002 0.000 0.201 718 Q C 2.106 178.052 176.000 -0.090 0.000 0.955 718 Q CA 0.866 56.631 55.803 -0.063 0.000 0.870 718 Q CB -0.276 28.497 28.738 0.059 0.000 0.945 718 Q HN 0.783 nan 8.270 nan 0.000 0.461 719 I N 1.167 121.653 120.570 -0.140 0.000 2.142 719 I HA -0.282 3.889 4.170 0.002 0.000 0.240 719 I C 2.545 178.497 176.117 -0.274 0.000 1.078 719 I CA 1.535 62.707 61.300 -0.214 0.000 1.343 719 I CB -0.468 37.402 38.000 -0.216 0.000 1.046 719 I HN 0.182 nan 8.210 nan 0.000 0.405 720 S N 0.907 116.472 115.700 -0.225 0.000 2.382 720 S HA -0.281 4.191 4.470 0.002 0.000 0.228 720 S C 2.004 176.610 174.600 0.011 0.000 1.027 720 S CA 1.514 59.641 58.200 -0.121 0.000 0.991 720 S CB -0.481 62.806 63.200 0.145 0.000 0.823 720 S HN 0.367 nan 8.310 nan 0.000 0.469 721 K N 1.924 122.313 120.400 -0.019 0.000 2.032 721 K HA -0.034 4.288 4.320 0.002 0.000 0.209 721 K C 2.291 178.882 176.600 -0.015 0.000 1.048 721 K CA 1.327 57.615 56.287 0.002 0.000 0.927 721 K CB -0.761 31.733 32.500 -0.010 0.000 0.712 721 K HN 0.438 nan 8.250 nan 0.000 0.441 722 A N 0.958 123.740 122.820 -0.064 0.000 1.933 722 A HA -0.105 4.216 4.320 0.002 0.000 0.218 722 A C 2.120 179.654 177.584 -0.083 0.000 1.175 722 A CA 1.363 53.355 52.037 -0.075 0.000 0.628 722 A CB -0.588 18.346 19.000 -0.111 0.000 0.814 722 A HN 0.339 nan 8.150 nan 0.000 0.444 723 L N -0.642 120.496 121.223 -0.142 0.000 2.056 723 L HA -0.137 4.204 4.340 0.002 0.000 0.207 723 L C 2.502 179.438 176.870 0.110 0.000 1.078 723 L CA 0.952 55.732 54.840 -0.100 0.000 0.749 723 L CB -0.568 41.286 42.059 -0.342 0.000 0.901 723 L HN 0.238 nan 8.230 nan 0.000 0.433 724 V N -0.213 119.801 119.914 0.167 0.000 2.407 724 V HA -0.283 3.838 4.120 0.002 0.000 0.248 724 V C 1.871 178.009 176.094 0.073 0.000 1.055 724 V CA 1.827 64.212 62.300 0.143 0.000 1.049 724 V CB -0.535 31.365 31.823 0.128 0.000 0.662 724 V HN 0.418 nan 8.190 nan 0.000 0.455 725 D N -0.703 119.723 120.400 0.043 0.000 2.310 725 D HA -0.074 4.567 4.640 0.002 0.000 0.212 725 D C 1.628 177.945 176.300 0.029 0.000 0.965 725 D CA 0.778 54.795 54.000 0.028 0.000 0.879 725 D CB 0.244 41.052 40.800 0.014 0.000 0.921 725 D HN 0.345 nan 8.370 nan 0.000 0.510 726 V N -0.934 119.002 119.914 0.036 0.000 3.528 726 V HA 0.257 4.378 4.120 0.002 0.000 0.294 726 V C 1.090 177.217 176.094 0.056 0.000 1.404 726 V CA 0.635 62.958 62.300 0.039 0.000 1.065 726 V CB 0.472 32.313 31.823 0.029 0.000 0.904 726 V HN 0.312 nan 8.190 nan 0.000 0.435 727 G N 1.034 109.875 108.800 0.068 0.000 2.225 727 G HA2 -0.191 3.771 3.960 0.002 0.000 0.264 727 G HA3 -0.191 3.771 3.960 0.002 0.000 0.264 727 G C -0.016 174.946 174.900 0.104 0.000 1.060 727 G CA 0.348 45.493 45.100 0.076 0.000 0.833 727 G HN 0.457 nan 8.290 nan 0.000 0.498 728 V N 0.641 120.644 119.914 0.150 0.000 2.370 728 V HA 0.424 4.545 4.120 0.002 0.000 0.279 728 V C 0.496 176.766 176.094 0.294 0.000 1.029 728 V CA -0.564 61.860 62.300 0.208 0.000 0.870 728 V CB 1.645 33.595 31.823 0.213 0.000 0.984 728 V HN 0.457 nan 8.190 nan 0.000 0.451 729 D N 4.345 124.874 120.400 0.215 0.000 2.372 729 D HA 0.515 5.157 4.640 0.002 0.000 0.243 729 D C -0.565 175.929 176.300 0.322 0.000 1.121 729 D CA 0.390 54.481 54.000 0.152 0.000 0.898 729 D CB 0.618 41.466 40.800 0.079 0.000 1.202 729 D HN 0.387 nan 8.370 nan 0.000 0.428 730 F N -0.581 119.446 119.950 0.128 0.000 2.770 730 F HA 0.374 4.902 4.527 0.003 0.000 0.313 730 F C -1.614 174.242 175.800 0.093 0.000 1.154 730 F CA -1.203 56.894 58.000 0.162 0.000 0.923 730 F CB 0.711 39.846 39.000 0.224 0.000 1.301 730 F HN 0.092 nan 8.300 nan 0.000 0.449 731 Q N 1.778 121.715 119.800 0.228 0.000 2.230 731 Q HA 0.777 5.118 4.340 0.002 0.000 0.253 731 Q C -0.670 175.393 176.000 0.105 0.000 0.919 731 Q CA -0.611 55.236 55.803 0.074 0.000 0.908 731 Q CB 1.985 30.765 28.738 0.070 0.000 1.245 731 Q HN 1.003 nan 8.270 nan 0.000 0.437 732 A N 2.143 124.985 122.820 0.037 0.000 2.469 732 A HA 0.855 5.177 4.320 0.002 0.000 0.299 732 A C -1.085 176.462 177.584 -0.062 0.000 1.098 732 A CA -0.663 51.411 52.037 0.061 0.000 0.737 732 A CB 1.872 20.990 19.000 0.196 0.000 1.312 732 A HN 0.665 nan 8.150 nan 0.000 0.414 733 M N 1.391 120.933 119.600 -0.098 0.000 2.255 733 M HA 0.562 5.043 4.480 0.002 0.000 0.275 733 M C -1.829 174.371 176.300 -0.168 0.000 1.050 733 M CA -0.443 54.659 55.300 -0.330 0.000 0.978 733 M CB 1.132 33.410 32.600 -0.537 0.000 1.761 733 M HN 0.897 nan 8.290 nan 0.000 0.479 734 W N 4.191 125.357 121.300 -0.223 0.000 2.448 734 W HA 0.767 5.428 4.660 0.003 0.000 0.339 734 W C -1.967 174.288 176.519 -0.440 0.000 1.124 734 W CA -0.728 56.556 57.345 -0.101 0.000 1.262 734 W CB 0.355 29.792 29.460 -0.038 0.000 1.251 734 W HN 0.605 nan 8.180 nan 0.000 0.597 735 Y N 2.389 122.800 120.300 0.185 0.000 2.376 735 Y HA 0.272 4.823 4.550 0.002 0.000 0.326 735 Y C 0.802 176.804 175.900 0.171 0.000 0.970 735 Y CA -1.103 57.031 58.100 0.057 0.000 1.248 735 Y CB 1.401 39.881 38.460 0.033 0.000 1.117 735 Y HN 0.640 nan 8.280 nan 0.000 0.476 736 T N 1.995 116.704 114.554 0.259 0.000 2.902 736 T HA 0.057 4.409 4.350 0.002 0.000 0.301 736 T C 0.524 175.294 174.700 0.118 0.000 1.012 736 T CA 0.440 62.639 62.100 0.165 0.000 1.151 736 T CB 0.123 69.008 68.868 0.028 0.000 0.946 736 T HN 0.804 nan 8.240 nan 0.000 0.542 737 D N 1.041 121.493 120.400 0.088 0.000 3.059 737 D HA -0.115 4.526 4.640 0.002 0.000 0.213 737 D C 0.021 176.446 176.300 0.210 0.000 1.144 737 D CA 1.178 55.172 54.000 -0.010 0.000 0.975 737 D CB -0.612 39.983 40.800 -0.342 0.000 1.125 737 D HN 0.678 nan 8.370 nan 0.000 0.412 738 E N 0.863 121.209 120.200 0.244 0.000 2.313 738 E HA 0.304 4.656 4.350 0.002 0.000 0.272 738 E C 0.730 177.520 176.600 0.316 0.000 1.038 738 E CA -0.246 56.320 56.400 0.276 0.000 0.863 738 E CB 1.248 31.104 29.700 0.260 0.000 1.060 738 E HN 0.350 nan 8.360 nan 0.000 0.402 739 D N -0.109 120.489 120.400 0.330 0.000 2.589 739 D HA 0.011 4.652 4.640 0.002 0.000 0.268 739 D C 1.038 177.582 176.300 0.406 0.000 1.182 739 D CA -0.278 53.942 54.000 0.366 0.000 1.087 739 D CB -0.146 40.892 40.800 0.397 0.000 1.186 739 D HN 0.393 nan 8.370 nan 0.000 0.620 740 H N -1.293 117.969 119.070 0.320 0.000 2.457 740 H HA 0.075 4.633 4.556 0.003 0.000 0.297 740 H C 1.902 177.486 175.328 0.426 0.000 1.092 740 H CA 2.220 58.480 56.048 0.353 0.000 1.309 740 H CB -0.428 29.524 29.762 0.315 0.000 1.382 740 H HN 0.516 nan 8.280 nan 0.000 0.535 741 G N 0.012 109.001 108.800 0.315 0.000 2.572 741 G HA2 -0.046 3.916 3.960 0.002 0.000 0.216 741 G HA3 -0.046 3.916 3.960 0.002 0.000 0.216 741 G C 0.681 175.759 174.900 0.296 0.000 1.133 741 G CA 0.325 45.526 45.100 0.168 0.000 0.791 741 G HN 0.542 nan 8.290 nan 0.000 0.538 742 I N 0.164 120.956 120.570 0.370 0.000 3.140 742 I HA -0.338 3.834 4.170 0.002 0.000 0.126 742 I C 1.541 177.808 176.117 0.250 0.000 0.942 742 I CA 0.180 61.650 61.300 0.283 0.000 2.770 742 I CB -1.258 36.871 38.000 0.215 0.000 0.936 742 I HN 0.257 nan 8.210 nan 0.000 0.348 743 A N 1.544 124.475 122.820 0.186 0.000 2.288 743 A HA 0.227 4.548 4.320 0.002 0.000 0.216 743 A C 1.226 178.861 177.584 0.085 0.000 1.199 743 A CA 0.577 52.686 52.037 0.120 0.000 0.891 743 A CB 0.201 19.239 19.000 0.063 0.000 0.923 743 A HN 0.663 nan 8.150 nan 0.000 0.500 744 S N -0.158 115.608 115.700 0.110 0.000 2.563 744 S HA 0.104 4.576 4.470 0.002 0.000 0.284 744 S C 1.176 175.826 174.600 0.084 0.000 1.331 744 S CA 0.411 58.665 58.200 0.090 0.000 1.047 744 S CB 0.926 64.189 63.200 0.105 0.000 0.859 744 S HN 0.417 nan 8.310 nan 0.000 0.514 745 S N 2.094 117.828 115.700 0.056 0.000 2.368 745 S HA -0.202 4.270 4.470 0.002 0.000 0.226 745 S C 2.178 176.836 174.600 0.095 0.000 1.044 745 S CA 2.415 60.647 58.200 0.053 0.000 1.062 745 S CB -1.522 61.695 63.200 0.028 0.000 0.931 745 S HN 1.073 nan 8.310 nan 0.000 0.440 746 T N -0.298 114.304 114.554 0.081 0.000 2.857 746 T HA 0.174 4.525 4.350 0.002 0.000 0.266 746 T C 1.927 176.689 174.700 0.103 0.000 1.048 746 T CA 1.319 63.470 62.100 0.085 0.000 1.139 746 T CB -0.817 68.088 68.868 0.063 0.000 0.874 746 T HN 0.436 nan 8.240 nan 0.000 0.455 747 A N 1.523 124.388 122.820 0.076 0.000 1.873 747 A HA -0.096 4.225 4.320 0.002 0.000 0.215 747 A C 2.196 179.760 177.584 -0.033 0.000 1.186 747 A CA 2.049 54.073 52.037 -0.023 0.000 0.616 747 A CB -1.361 17.592 19.000 -0.078 0.000 0.823 747 A HN 0.748 nan 8.150 nan 0.000 0.442 748 H N 0.007 119.078 119.070 0.002 0.000 2.319 748 H HA -0.188 4.370 4.556 0.002 0.000 0.297 748 H C 2.151 177.564 175.328 0.141 0.000 1.097 748 H CA 2.479 58.590 56.048 0.106 0.000 1.285 748 H CB -0.149 29.665 29.762 0.087 0.000 1.368 748 H HN 0.594 nan 8.280 nan 0.000 0.495 749 Q N -1.124 118.732 119.800 0.094 0.000 2.119 749 Q HA -0.180 4.161 4.340 0.002 0.000 0.201 749 Q C 2.204 178.226 176.000 0.037 0.000 0.972 749 Q CA 1.248 57.062 55.803 0.019 0.000 0.847 749 Q CB -0.208 28.563 28.738 0.055 0.000 0.903 749 Q HN 0.675 nan 8.270 nan 0.000 0.433 750 H N 0.942 120.009 119.070 -0.004 0.000 2.326 750 H HA -0.045 4.513 4.556 0.002 0.000 0.301 750 H C 2.057 177.397 175.328 0.021 0.000 1.081 750 H CA 1.170 57.245 56.048 0.044 0.000 1.334 750 H CB 0.028 29.868 29.762 0.130 0.000 1.385 750 H HN 0.256 nan 8.280 nan 0.000 0.504 751 I N 0.192 120.735 120.570 -0.046 0.000 2.226 751 I HA -0.323 3.848 4.170 0.002 0.000 0.245 751 I C 1.773 177.653 176.117 -0.395 0.000 1.100 751 I CA 1.278 62.443 61.300 -0.226 0.000 1.374 751 I CB -0.253 37.429 38.000 -0.530 0.000 1.057 751 I HN 0.148 nan 8.210 nan 0.000 0.413 752 Y N 0.897 120.985 120.300 -0.354 0.000 2.263 752 Y HA -0.187 4.364 4.550 0.002 0.000 0.292 752 Y C 2.708 178.416 175.900 -0.320 0.000 1.130 752 Y CA 1.819 59.608 58.100 -0.519 0.000 1.179 752 Y CB -0.859 37.294 38.460 -0.511 0.000 0.998 752 Y HN 0.146 nan 8.280 nan 0.000 0.532 753 T N -1.520 112.968 114.554 -0.110 0.000 2.746 753 T HA -0.265 4.087 4.350 0.002 0.000 0.267 753 T C 1.554 176.117 174.700 -0.228 0.000 1.039 753 T CA 2.037 64.026 62.100 -0.185 0.000 1.142 753 T CB -0.486 68.293 68.868 -0.149 0.000 0.866 753 T HN 0.442 nan 8.240 nan 0.000 0.444 754 H N 0.508 119.442 119.070 -0.226 0.000 2.357 754 H HA 0.148 4.706 4.556 0.002 0.000 0.301 754 H C 2.239 177.544 175.328 -0.039 0.000 1.082 754 H CA 1.414 57.401 56.048 -0.101 0.000 1.342 754 H CB -0.195 29.480 29.762 -0.146 0.000 1.389 754 H HN 0.234 nan 8.280 nan 0.000 0.511 755 M N -0.707 118.852 119.600 -0.069 0.000 2.117 755 M HA -0.184 4.297 4.480 0.002 0.000 0.262 755 M C 2.421 178.851 176.300 0.217 0.000 1.065 755 M CA 1.588 56.849 55.300 -0.065 0.000 1.114 755 M CB 0.003 32.288 32.600 -0.524 0.000 1.361 755 M HN 0.225 nan 8.290 nan 0.000 0.408 756 S N -0.512 115.334 115.700 0.243 0.000 2.353 756 S HA -0.185 4.286 4.470 0.002 0.000 0.222 756 S C 1.689 176.375 174.600 0.144 0.000 1.035 756 S CA 1.189 59.599 58.200 0.350 0.000 1.025 756 S CB -0.746 62.635 63.200 0.303 0.000 0.902 756 S HN 0.472 nan 8.310 nan 0.000 0.440 757 H N 0.014 119.148 119.070 0.106 0.000 2.319 757 H HA -0.093 4.465 4.556 0.002 0.000 0.297 757 H C 2.018 177.353 175.328 0.012 0.000 1.097 757 H CA 1.534 57.596 56.048 0.022 0.000 1.285 757 H CB -0.848 28.869 29.762 -0.076 0.000 1.368 757 H HN 0.468 nan 8.280 nan 0.000 0.495 758 F N 1.214 121.163 119.950 -0.002 0.000 2.102 758 F HA -0.179 4.350 4.527 0.002 0.000 0.298 758 F C 2.399 178.164 175.800 -0.058 0.000 1.105 758 F CA 0.973 58.945 58.000 -0.047 0.000 1.239 758 F CB -0.328 38.631 39.000 -0.068 0.000 0.991 758 F HN -0.034 nan 8.300 nan 0.000 0.474 759 I N 0.628 121.203 120.570 0.009 0.000 2.252 759 I HA -0.251 3.921 4.170 0.002 0.000 0.245 759 I C 2.290 178.222 176.117 -0.310 0.000 1.102 759 I CA 1.367 62.521 61.300 -0.244 0.000 1.385 759 I CB -1.045 36.921 38.000 -0.057 0.000 1.064 759 I HN 0.228 nan 8.210 nan 0.000 0.414 760 K N 0.171 120.530 120.400 -0.069 0.000 2.032 760 K HA -0.244 4.078 4.320 0.002 0.000 0.209 760 K C 2.037 178.617 176.600 -0.032 0.000 1.048 760 K CA 1.260 57.554 56.287 0.012 0.000 0.927 760 K CB -0.327 32.230 32.500 0.095 0.000 0.712 760 K HN 0.325 nan 8.250 nan 0.000 0.441 761 Q N 1.251 120.994 119.800 -0.095 0.000 2.096 761 Q HA -0.219 4.123 4.340 0.002 0.000 0.204 761 Q C 2.248 178.138 176.000 -0.184 0.000 0.982 761 Q CA 1.758 57.484 55.803 -0.128 0.000 0.850 761 Q CB -0.615 28.029 28.738 -0.156 0.000 0.901 761 Q HN 0.399 nan 8.270 nan 0.000 0.422 762 c N 0.017 118.398 118.600 -0.365 0.000 2.425 762 c HA -0.088 4.483 4.570 0.002 0.000 0.277 762 c C 2.239 176.316 174.090 -0.022 0.000 1.280 762 c CA 0.478 56.604 56.329 -0.338 0.000 1.744 762 c CB -1.289 40.848 42.510 -0.622 0.000 1.989 762 c HN 0.538 nan 8.230 nan 0.000 0.491 763 F N 1.103 121.013 119.950 -0.067 0.000 2.727 763 F HA 0.316 4.844 4.527 0.002 0.000 0.302 763 F C 1.620 177.404 175.800 -0.027 0.000 1.097 763 F CA -0.129 57.853 58.000 -0.031 0.000 1.330 763 F CB -0.913 38.077 39.000 -0.017 0.000 1.084 763 F HN 0.100 nan 8.300 nan 0.000 0.578 764 S N 0.000 115.784 115.700 0.141 0.000 2.498 764 S HA 0.000 4.471 4.470 0.002 0.000 0.327 764 S CA 0.000 58.246 58.200 0.076 0.000 1.107 764 S CB 0.000 63.228 63.200 0.046 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517