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_C DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.647 174.600 0.078 0.000 1.055 39 S CA 0.000 58.248 58.200 0.080 0.000 1.107 39 S CB 0.000 63.284 63.200 0.140 0.000 0.593 40 R N 2.084 122.633 120.500 0.082 0.000 2.234 40 R HA 0.410 4.750 4.340 -0.000 0.000 0.102 40 R C 0.448 176.799 176.300 0.086 0.000 0.560 40 R CA -0.257 55.890 56.100 0.078 0.000 1.847 40 R CB -0.370 29.977 30.300 0.078 0.000 0.534 40 R HN 0.529 nan 8.270 nan 0.000 0.684 41 K N 0.539 120.995 120.400 0.093 0.000 2.087 41 K HA 0.260 4.580 4.320 -0.000 0.000 0.255 41 K C -0.419 176.241 176.600 0.100 0.000 0.988 41 K CA -0.512 55.836 56.287 0.101 0.000 0.915 41 K CB 1.070 33.641 32.500 0.117 0.000 1.043 41 K HN 0.755 nan 8.250 nan 0.000 0.457 42 T N -1.856 112.762 114.554 0.107 0.000 2.902 42 T HA 0.165 4.515 4.350 -0.000 0.000 0.280 42 T C -0.251 174.544 174.700 0.160 0.000 0.992 42 T CA -0.696 61.473 62.100 0.115 0.000 1.015 42 T CB 0.381 69.317 68.868 0.114 0.000 1.044 42 T HN 0.484 nan 8.240 nan 0.000 0.520 43 Y N 2.907 123.230 120.300 0.038 0.000 2.640 43 Y HA 0.319 4.869 4.550 -0.000 0.000 0.355 43 Y C 1.078 177.096 175.900 0.196 0.000 1.088 43 Y CA -0.435 57.707 58.100 0.070 0.000 1.443 43 Y CB -0.579 37.868 38.460 -0.021 0.000 1.224 43 Y HN 1.011 nan 8.280 nan 0.000 0.516 44 T N 2.115 116.639 114.554 -0.050 0.000 2.788 44 T HA 0.059 4.409 4.350 -0.000 0.000 0.287 44 T C 1.094 175.669 174.700 -0.208 0.000 1.007 44 T CA -0.576 61.531 62.100 0.012 0.000 1.005 44 T CB 1.083 69.945 68.868 -0.009 0.000 1.012 44 T HN 0.696 nan 8.240 nan 0.000 0.530 45 L N 1.337 122.260 121.223 -0.499 0.000 2.017 45 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 45 L C 2.764 179.491 176.870 -0.238 0.000 1.073 45 L CA 2.383 56.833 54.840 -0.651 0.000 0.745 45 L CB -1.519 39.987 42.059 -0.921 0.000 0.894 45 L HN 0.995 nan 8.230 nan 0.000 0.432 46 T N -0.788 113.654 114.554 -0.187 0.000 2.737 46 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 46 T C 1.533 176.165 174.700 -0.113 0.000 1.040 46 T CA 1.486 63.518 62.100 -0.114 0.000 1.142 46 T CB -0.524 68.297 68.868 -0.077 0.000 0.861 46 T HN 0.395 nan 8.240 nan 0.000 0.456 47 D N 0.167 120.472 120.400 -0.159 0.000 2.123 47 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 47 D C 1.732 177.966 176.300 -0.110 0.000 0.992 47 D CA 1.114 55.007 54.000 -0.178 0.000 0.833 47 D CB -0.346 40.255 40.800 -0.331 0.000 0.954 47 D HN 0.510 nan 8.370 nan 0.000 0.455 48 Y N 1.083 121.241 120.300 -0.237 0.000 2.337 48 Y HA 0.009 4.559 4.550 -0.000 0.000 0.293 48 Y C 2.071 177.998 175.900 0.046 0.000 1.123 48 Y CA 0.892 59.005 58.100 0.023 0.000 1.201 48 Y CB -0.291 38.245 38.460 0.127 0.000 1.011 48 Y HN -0.109 nan 8.280 nan 0.000 0.545 49 L N -0.166 120.944 121.223 -0.188 0.000 2.095 49 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 49 L C 2.030 178.823 176.870 -0.129 0.000 1.080 49 L CA 1.081 55.794 54.840 -0.212 0.000 0.759 49 L CB -0.381 41.617 42.059 -0.101 0.000 0.914 49 L HN -0.006 nan 8.230 nan 0.000 0.439 50 K N -0.005 120.340 120.400 -0.092 0.000 2.426 50 K HA 0.016 4.336 4.320 -0.000 0.000 0.193 50 K C 0.242 176.804 176.600 -0.064 0.000 1.028 50 K CA 0.134 56.380 56.287 -0.069 0.000 1.047 50 K CB -0.346 32.118 32.500 -0.061 0.000 0.821 50 K HN 0.234 nan 8.250 nan 0.000 0.513 51 N N 0.461 119.128 118.700 -0.055 0.000 2.815 51 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 51 N C 0.691 176.203 175.510 0.003 0.000 1.110 51 N CA 0.664 53.711 53.050 -0.004 0.000 0.699 51 N CB -1.096 37.373 38.487 -0.030 0.000 1.040 51 N HN 0.366 nan 8.380 nan 0.000 0.555 52 T N -3.260 111.264 114.554 -0.050 0.000 2.821 52 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 52 T C 0.674 175.226 174.700 -0.246 0.000 1.046 52 T CA 1.114 63.088 62.100 -0.209 0.000 1.139 52 T CB -0.216 68.426 68.868 -0.376 0.000 0.871 52 T HN 0.332 nan 8.240 nan 0.000 0.454 53 Y N 2.223 122.609 120.300 0.143 0.000 2.650 53 Y HA 0.529 5.079 4.550 -0.000 0.000 0.343 53 Y C 0.746 176.751 175.900 0.175 0.000 1.078 53 Y CA -1.105 57.105 58.100 0.184 0.000 1.356 53 Y CB 0.227 38.862 38.460 0.291 0.000 1.204 53 Y HN 0.042 nan 8.280 nan 0.000 0.508 54 R N 2.797 123.419 120.500 0.203 0.000 2.349 54 R HA 0.468 4.808 4.340 -0.000 0.000 0.299 54 R C -0.909 175.482 176.300 0.150 0.000 1.027 54 R CA -0.699 55.491 56.100 0.151 0.000 0.958 54 R CB 0.759 31.108 30.300 0.080 0.000 1.047 54 R HN 0.645 nan 8.270 nan 0.000 0.468 55 L N 5.145 126.457 121.223 0.148 0.000 2.283 55 L HA 0.241 4.581 4.340 -0.000 0.000 0.287 55 L C 0.271 177.195 176.870 0.091 0.000 1.073 55 L CA -0.142 54.778 54.840 0.134 0.000 0.822 55 L CB 0.825 42.985 42.059 0.168 0.000 1.186 55 L HN 0.416 nan 8.230 nan 0.000 0.436 56 K N 4.694 125.134 120.400 0.067 0.000 2.326 56 K HA 0.431 4.751 4.320 -0.000 0.000 0.275 56 K C -0.449 176.134 176.600 -0.027 0.000 1.018 56 K CA -0.256 56.047 56.287 0.027 0.000 0.962 56 K CB 1.247 33.763 32.500 0.026 0.000 0.953 56 K HN 0.438 nan 8.250 nan 0.000 0.475 57 L N 1.522 122.685 121.223 -0.100 0.000 2.299 57 L HA 0.461 4.801 4.340 -0.000 0.000 0.268 57 L C -0.796 175.831 176.870 -0.405 0.000 1.012 57 L CA -1.070 53.582 54.840 -0.314 0.000 0.816 57 L CB 0.774 42.763 42.059 -0.116 0.000 1.355 57 L HN 0.497 nan 8.230 nan 0.000 0.457 58 Y N 0.184 119.965 120.300 -0.865 0.000 2.541 58 Y HA 0.324 4.874 4.550 -0.000 0.000 0.350 58 Y C -0.824 174.943 175.900 -0.220 0.000 1.075 58 Y CA -0.481 57.335 58.100 -0.473 0.000 1.302 58 Y CB 1.372 39.433 38.460 -0.665 0.000 1.094 58 Y HN 0.418 nan 8.280 nan 0.000 0.579 59 S N 6.070 121.695 115.700 -0.126 0.000 2.410 59 S HA 0.563 5.033 4.470 -0.000 0.000 0.304 59 S C -0.852 173.674 174.600 -0.123 0.000 1.095 59 S CA -0.588 57.571 58.200 -0.068 0.000 1.089 59 S CB 0.062 63.239 63.200 -0.039 0.000 0.968 59 S HN 0.539 nan 8.310 nan 0.000 0.480 60 L N 1.073 122.184 121.223 -0.186 0.000 2.342 60 L HA 0.778 5.118 4.340 -0.000 0.000 0.271 60 L C -0.296 176.444 176.870 -0.217 0.000 1.008 60 L CA -0.820 53.834 54.840 -0.310 0.000 0.818 60 L CB 0.939 42.467 42.059 -0.886 0.000 1.296 60 L HN 0.288 nan 8.230 nan 0.000 0.427 61 R N 1.833 122.257 120.500 -0.126 0.000 2.409 61 R HA 0.327 4.667 4.340 -0.000 0.000 0.313 61 R C -1.788 174.531 176.300 0.030 0.000 0.953 61 R CA -0.428 55.665 56.100 -0.011 0.000 0.849 61 R CB 1.172 31.510 30.300 0.063 0.000 1.171 61 R HN 0.870 nan 8.270 nan 0.000 0.458 62 W N 5.948 127.349 121.300 0.168 0.000 2.546 62 W HA 0.131 4.791 4.660 -0.000 0.000 0.323 62 W C 1.814 178.418 176.519 0.142 0.000 1.272 62 W CA -0.485 56.972 57.345 0.188 0.000 1.404 62 W CB 0.286 29.859 29.460 0.188 0.000 1.411 62 W HN 0.614 nan 8.180 nan 0.000 0.480 63 I N 0.634 121.398 120.570 0.322 0.000 2.876 63 I HA 0.054 4.224 4.170 -0.000 0.000 0.264 63 I C 0.994 177.250 176.117 0.232 0.000 1.204 63 I CA 0.387 61.807 61.300 0.200 0.000 1.485 63 I CB -0.239 37.803 38.000 0.070 0.000 1.103 63 I HN 0.218 nan 8.210 nan 0.000 0.446 64 S N -0.564 115.332 115.700 0.327 0.000 2.752 64 S HA 0.280 4.750 4.470 -0.000 0.000 0.284 64 S C 0.014 174.785 174.600 0.285 0.000 1.189 64 S CA -0.389 57.986 58.200 0.291 0.000 0.835 64 S CB 1.341 64.723 63.200 0.304 0.000 1.192 64 S HN 0.086 nan 8.310 nan 0.000 0.506 65 D N -0.680 119.820 120.400 0.166 0.000 2.392 65 D HA 0.135 4.774 4.640 -0.000 0.000 0.228 65 D C 0.837 177.016 176.300 -0.202 0.000 1.003 65 D CA 1.298 55.232 54.000 -0.110 0.000 0.917 65 D CB -0.087 40.555 40.800 -0.264 0.000 0.890 65 D HN 0.640 nan 8.370 nan 0.000 0.532 66 H N -1.964 117.304 119.070 0.330 0.000 3.436 66 H HA 0.412 4.968 4.556 -0.000 0.000 0.244 66 H C -0.076 175.426 175.328 0.289 0.000 1.009 66 H CA -0.248 55.990 56.048 0.317 0.000 1.129 66 H CB 0.818 30.713 29.762 0.222 0.000 1.473 66 H HN -0.045 nan 8.280 nan 0.000 0.510 67 E N 0.510 120.980 120.200 0.449 0.000 2.317 67 E HA 0.383 4.733 4.350 -0.000 0.000 0.270 67 E C -1.513 175.260 176.600 0.287 0.000 0.885 67 E CA -1.206 55.343 56.400 0.249 0.000 0.760 67 E CB 2.782 32.568 29.700 0.144 0.000 1.227 67 E HN 0.196 nan 8.360 nan 0.000 0.434 68 Y N -0.441 119.859 120.300 0.001 0.000 2.576 68 Y HA 0.644 5.194 4.550 -0.000 0.000 0.346 68 Y C -1.513 174.324 175.900 -0.105 0.000 1.018 68 Y CA -1.431 56.539 58.100 -0.217 0.000 1.050 68 Y CB 0.754 38.727 38.460 -0.810 0.000 1.280 68 Y HN 0.317 nan 8.280 nan 0.000 0.474 69 L N 3.051 124.341 121.223 0.112 0.000 2.325 69 L HA 0.352 4.692 4.340 -0.000 0.000 0.279 69 L C -1.228 175.771 176.870 0.215 0.000 1.054 69 L CA -0.950 53.923 54.840 0.055 0.000 0.804 69 L CB 1.146 43.124 42.059 -0.135 0.000 1.200 69 L HN 0.751 nan 8.230 nan 0.000 0.436 70 Y N 3.063 123.397 120.300 0.057 0.000 2.805 70 Y HA 0.279 4.829 4.550 -0.000 0.000 0.339 70 Y C -0.087 175.753 175.900 -0.100 0.000 1.012 70 Y CA -1.412 56.639 58.100 -0.081 0.000 1.262 70 Y CB 0.507 38.886 38.460 -0.134 0.000 1.100 70 Y HN 0.434 nan 8.280 nan 0.000 0.559 71 K N 4.716 124.879 120.400 -0.394 0.000 2.366 71 K HA -0.094 4.226 4.320 -0.000 0.000 0.272 71 K C 0.160 176.330 176.600 -0.715 0.000 1.151 71 K CA 0.791 56.816 56.287 -0.436 0.000 1.173 71 K CB 0.234 32.570 32.500 -0.272 0.000 0.853 71 K HN 0.718 nan 8.250 nan 0.000 0.473 72 Q N 1.156 120.650 119.800 -0.511 0.000 2.199 72 Q HA 0.048 4.388 4.340 -0.000 0.000 0.205 72 Q C 1.109 176.971 176.000 -0.230 0.000 1.001 72 Q CA -0.533 55.018 55.803 -0.420 0.000 1.019 72 Q CB 0.877 29.482 28.738 -0.221 0.000 1.132 72 Q HN 0.615 nan 8.270 nan 0.000 0.530 73 E N 0.204 120.319 120.200 -0.140 0.000 2.077 73 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 73 E C 0.839 177.408 176.600 -0.052 0.000 0.989 73 E CA 1.431 57.786 56.400 -0.074 0.000 0.800 73 E CB 0.205 29.880 29.700 -0.041 0.000 0.746 73 E HN 0.491 nan 8.360 nan 0.000 0.452 74 N N -0.438 118.229 118.700 -0.056 0.000 2.517 74 N HA -0.014 4.726 4.740 -0.000 0.000 0.202 74 N C -0.304 175.164 175.510 -0.070 0.000 1.042 74 N CA 0.335 53.361 53.050 -0.040 0.000 0.952 74 N CB 0.338 38.810 38.487 -0.025 0.000 1.211 74 N HN 0.097 nan 8.380 nan 0.000 0.458 75 N N 0.469 119.119 118.700 -0.083 0.000 2.292 75 N HA 0.387 5.127 4.740 -0.000 0.000 0.303 75 N C -1.189 174.256 175.510 -0.108 0.000 1.140 75 N CA -0.527 52.465 53.050 -0.096 0.000 0.788 75 N CB 1.514 39.964 38.487 -0.062 0.000 1.361 75 N HN 0.015 nan 8.380 nan 0.000 0.489 76 I N 0.915 121.421 120.570 -0.107 0.000 2.352 76 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 76 I C -0.302 175.849 176.117 0.058 0.000 1.036 76 I CA -0.592 60.668 61.300 -0.067 0.000 1.336 76 I CB 0.258 38.209 38.000 -0.082 0.000 1.407 76 I HN 0.238 nan 8.210 nan 0.000 0.497 77 L N 6.799 128.077 121.223 0.092 0.000 2.331 77 L HA 0.599 4.939 4.340 -0.000 0.000 0.275 77 L C -0.218 176.737 176.870 0.142 0.000 1.022 77 L CA -0.966 53.949 54.840 0.125 0.000 0.812 77 L CB 1.992 44.139 42.059 0.147 0.000 1.257 77 L HN 0.332 nan 8.230 nan 0.000 0.435 78 V N 2.528 122.481 119.914 0.065 0.000 2.472 78 V HA 0.488 4.608 4.120 -0.000 0.000 0.290 78 V C -0.812 175.191 176.094 -0.151 0.000 1.037 78 V CA -0.176 62.122 62.300 -0.003 0.000 0.908 78 V CB 1.417 33.270 31.823 0.050 0.000 0.985 78 V HN 0.473 nan 8.190 nan 0.000 0.454 79 F N 5.028 124.716 119.950 -0.437 0.000 2.492 79 F HA 0.479 5.006 4.527 -0.000 0.000 0.327 79 F C 0.515 176.054 175.800 -0.435 0.000 1.079 79 F CA -0.510 57.159 58.000 -0.552 0.000 0.967 79 F CB 1.674 39.991 39.000 -1.138 0.000 1.169 79 F HN 0.477 nan 8.300 nan 0.000 0.472 80 N N 1.869 120.517 118.700 -0.086 0.000 2.419 80 N HA 0.247 4.987 4.740 -0.000 0.000 0.264 80 N C 0.444 175.937 175.510 -0.029 0.000 1.031 80 N CA 0.117 53.164 53.050 -0.006 0.000 0.951 80 N CB 1.803 40.336 38.487 0.076 0.000 1.101 80 N HN 0.834 nan 8.380 nan 0.000 0.488 81 A N 3.833 126.603 122.820 -0.082 0.000 1.908 81 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 81 A C 1.908 179.228 177.584 -0.439 0.000 1.181 81 A CA 1.650 53.518 52.037 -0.281 0.000 0.627 81 A CB -0.474 18.144 19.000 -0.637 0.000 0.818 81 A HN 0.808 nan 8.150 nan 0.000 0.445 82 E N -1.245 118.713 120.200 -0.404 0.000 2.051 82 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 82 E C 1.515 177.808 176.600 -0.511 0.000 0.991 82 E CA 1.943 58.071 56.400 -0.453 0.000 0.799 82 E CB -0.326 29.049 29.700 -0.542 0.000 0.748 82 E HN 0.723 nan 8.360 nan 0.000 0.449 83 Y N -2.460 117.839 120.300 -0.001 0.000 2.539 83 Y HA 0.386 4.936 4.550 -0.000 0.000 0.284 83 Y C 1.781 177.684 175.900 0.005 0.000 1.134 83 Y CA 0.486 58.589 58.100 0.004 0.000 1.251 83 Y CB 0.734 39.196 38.460 0.003 0.000 1.260 83 Y HN 0.193 nan 8.280 nan 0.000 0.528 84 G N 0.227 109.117 108.800 0.150 0.000 2.211 84 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.201 84 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.201 84 G C -0.100 174.856 174.900 0.094 0.000 0.997 84 G CA -0.122 45.075 45.100 0.160 0.000 0.652 84 G HN 0.395 nan 8.290 nan 0.000 0.500 85 N N 1.066 119.776 118.700 0.017 0.000 2.416 85 N HA 0.455 5.195 4.740 -0.000 0.000 0.246 85 N C -0.003 175.320 175.510 -0.312 0.000 1.260 85 N CA 0.943 53.925 53.050 -0.113 0.000 0.897 85 N CB 1.321 39.767 38.487 -0.068 0.000 1.110 85 N HN 1.046 nan 8.380 nan 0.000 0.439 86 S N -0.695 114.755 115.700 -0.418 0.000 2.549 86 S HA 0.630 5.100 4.470 -0.000 0.000 0.280 86 S C -1.085 173.329 174.600 -0.311 0.000 1.109 86 S CA -0.921 56.929 58.200 -0.584 0.000 0.905 86 S CB 1.270 63.745 63.200 -1.209 0.000 1.081 86 S HN 0.598 nan 8.310 nan 0.000 0.477 87 S N 1.281 116.847 115.700 -0.223 0.000 2.503 87 S HA 0.544 5.014 4.470 -0.000 0.000 0.301 87 S C -0.332 174.225 174.600 -0.072 0.000 1.087 87 S CA -0.876 57.252 58.200 -0.121 0.000 1.042 87 S CB 1.487 64.642 63.200 -0.075 0.000 1.043 87 S HN 0.781 nan 8.310 nan 0.000 0.489 88 V N 3.860 123.739 119.914 -0.058 0.000 2.420 88 V HA -0.005 4.115 4.120 -0.000 0.000 0.274 88 V C 0.888 176.985 176.094 0.006 0.000 1.003 88 V CA 0.281 62.568 62.300 -0.022 0.000 1.092 88 V CB -1.179 30.616 31.823 -0.047 0.000 1.002 88 V HN 0.948 nan 8.190 nan 0.000 0.473 89 F N 5.242 125.145 119.950 -0.078 0.000 2.206 89 F HA 0.152 4.679 4.527 -0.000 0.000 0.298 89 F C 0.858 176.615 175.800 -0.071 0.000 1.090 89 F CA 1.186 59.146 58.000 -0.066 0.000 1.323 89 F CB 0.433 39.405 39.000 -0.046 0.000 1.028 89 F HN 0.348 nan 8.300 nan 0.000 0.492 90 L N 1.439 122.688 121.223 0.044 0.000 2.639 90 L HA 0.291 4.631 4.340 -0.000 0.000 0.264 90 L C -1.061 175.754 176.870 -0.091 0.000 0.948 90 L CA -0.562 54.244 54.840 -0.057 0.000 0.912 90 L CB 1.119 43.218 42.059 0.066 0.000 1.294 90 L HN -0.088 nan 8.230 nan 0.000 0.412 91 E N 3.280 123.396 120.200 -0.140 0.000 2.413 91 E HA 0.021 4.371 4.350 -0.000 0.000 0.263 91 E C 1.415 177.932 176.600 -0.137 0.000 1.015 91 E CA 0.516 56.839 56.400 -0.129 0.000 0.916 91 E CB 0.818 30.435 29.700 -0.137 0.000 0.947 91 E HN 0.686 nan 8.360 nan 0.000 0.440 92 N N 1.803 120.449 118.700 -0.090 0.000 2.120 92 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 92 N C 0.955 176.439 175.510 -0.045 0.000 1.024 92 N CA 1.467 54.484 53.050 -0.055 0.000 0.852 92 N CB -0.273 38.194 38.487 -0.032 0.000 1.003 92 N HN 0.384 nan 8.380 nan 0.000 0.424 93 S N -0.653 115.004 115.700 -0.071 0.000 2.650 93 S HA 0.084 4.553 4.470 -0.000 0.000 0.219 93 S C 1.413 175.939 174.600 -0.125 0.000 0.960 93 S CA 0.075 58.240 58.200 -0.058 0.000 0.925 93 S CB -0.102 63.072 63.200 -0.045 0.000 0.775 93 S HN 0.236 nan 8.310 nan 0.000 0.525 94 T N 1.687 116.076 114.554 -0.275 0.000 2.803 94 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 94 T C 0.160 174.482 174.700 -0.631 0.000 1.052 94 T CA 1.160 62.925 62.100 -0.559 0.000 1.136 94 T CB -0.393 67.897 68.868 -0.965 0.000 0.864 94 T HN 0.585 nan 8.240 nan 0.000 0.467 95 F N 0.522 120.455 119.950 -0.028 0.000 2.791 95 F HA 0.387 4.914 4.527 -0.000 0.000 0.308 95 F C 1.040 176.906 175.800 0.110 0.000 1.138 95 F CA -1.445 56.584 58.000 0.048 0.000 1.294 95 F CB -0.030 38.984 39.000 0.024 0.000 0.975 95 F HN -0.075 nan 8.300 nan 0.000 0.512 96 D N 1.218 121.716 120.400 0.164 0.000 2.123 96 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 96 D C 1.735 178.108 176.300 0.121 0.000 0.992 96 D CA 1.487 55.556 54.000 0.116 0.000 0.833 96 D CB 0.108 40.939 40.800 0.053 0.000 0.954 96 D HN 0.495 nan 8.370 nan 0.000 0.455 97 E N -0.744 119.541 120.200 0.141 0.000 2.423 97 E HA 0.003 4.353 4.350 -0.000 0.000 0.198 97 E C 0.763 177.480 176.600 0.195 0.000 1.038 97 E CA -0.315 56.156 56.400 0.118 0.000 1.011 97 E CB -0.287 29.464 29.700 0.084 0.000 1.118 97 E HN 0.236 nan 8.360 nan 0.000 0.451 98 F N 1.691 121.696 119.950 0.092 0.000 2.664 98 F HA 0.266 4.793 4.527 -0.000 0.000 0.296 98 F C 1.552 177.328 175.800 -0.041 0.000 1.125 98 F CA 0.974 59.022 58.000 0.080 0.000 1.444 98 F CB 0.357 39.448 39.000 0.152 0.000 1.114 98 F HN 0.265 nan 8.300 nan 0.000 0.576 99 G N -0.109 108.588 108.800 -0.173 0.000 4.039 99 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 99 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 99 G C 0.417 175.061 174.900 -0.427 0.000 1.391 99 G CA 0.280 45.168 45.100 -0.353 0.000 0.920 99 G HN 0.504 nan 8.290 nan 0.000 0.599 100 H N 1.480 120.201 119.070 -0.581 0.000 2.928 100 H HA 0.389 4.945 4.556 -0.000 0.000 0.338 100 H C 0.584 175.770 175.328 -0.236 0.000 1.047 100 H CA 0.864 56.626 56.048 -0.476 0.000 1.435 100 H CB 0.984 30.210 29.762 -0.893 0.000 1.428 100 H HN 0.316 nan 8.280 nan 0.000 0.590 101 S N 3.332 119.047 115.700 0.024 0.000 2.465 101 S HA 0.148 4.618 4.470 -0.000 0.000 0.280 101 S C 0.428 175.065 174.600 0.061 0.000 1.232 101 S CA -0.800 57.426 58.200 0.044 0.000 1.066 101 S CB -0.701 62.521 63.200 0.037 0.000 0.929 101 S HN 0.348 nan 8.310 nan 0.000 0.494 102 I N 5.541 126.129 120.570 0.030 0.000 2.529 102 I HA 0.178 4.348 4.170 -0.000 0.000 0.284 102 I C 1.718 177.753 176.117 -0.137 0.000 1.082 102 I CA -0.155 61.105 61.300 -0.067 0.000 1.406 102 I CB 0.539 38.395 38.000 -0.239 0.000 1.405 102 I HN 0.674 nan 8.210 nan 0.000 0.548 103 N N 2.728 121.332 118.700 -0.161 0.000 2.499 103 N HA 0.007 4.747 4.740 -0.000 0.000 0.182 103 N C -0.244 175.123 175.510 -0.238 0.000 1.034 103 N CA 0.601 53.540 53.050 -0.186 0.000 0.882 103 N CB 0.673 39.061 38.487 -0.164 0.000 1.125 103 N HN 0.676 nan 8.380 nan 0.000 0.436 104 D N -1.149 119.084 120.400 -0.279 0.000 2.736 104 D HA 0.265 4.905 4.640 -0.000 0.000 0.223 104 D C -1.688 174.446 176.300 -0.276 0.000 1.231 104 D CA -0.361 53.514 54.000 -0.207 0.000 0.818 104 D CB 1.207 41.995 40.800 -0.020 0.000 1.587 104 D HN -0.031 nan 8.370 nan 0.000 0.463 105 Y N 0.295 120.646 120.300 0.085 0.000 2.387 105 Y HA 0.560 5.109 4.550 -0.000 0.000 0.336 105 Y C 0.511 176.503 175.900 0.153 0.000 1.067 105 Y CA -0.692 57.475 58.100 0.111 0.000 1.114 105 Y CB 2.109 40.623 38.460 0.089 0.000 1.208 105 Y HN 0.116 nan 8.280 nan 0.000 0.458 106 S N 3.420 119.334 115.700 0.356 0.000 2.668 106 S HA 0.632 5.102 4.470 -0.000 0.000 0.277 106 S C -1.421 173.453 174.600 0.456 0.000 1.170 106 S CA -0.460 57.962 58.200 0.369 0.000 0.994 106 S CB 0.319 63.731 63.200 0.352 0.000 1.051 106 S HN 0.586 nan 8.310 nan 0.000 0.484 107 I N 4.347 125.086 120.570 0.281 0.000 2.377 107 I HA 0.345 4.515 4.170 -0.000 0.000 0.293 107 I C 0.621 176.616 176.117 -0.204 0.000 0.987 107 I CA -0.289 61.086 61.300 0.125 0.000 1.185 107 I CB 2.124 40.171 38.000 0.079 0.000 1.341 107 I HN 0.796 nan 8.210 nan 0.000 0.455 108 S N 6.058 121.342 115.700 -0.694 0.000 2.563 108 S HA 0.118 4.588 4.470 -0.000 0.000 0.284 108 S C -1.807 172.500 174.600 -0.488 0.000 1.331 108 S CA -0.885 56.538 58.200 -1.295 0.000 1.047 108 S CB 0.275 62.514 63.200 -1.601 0.000 0.859 108 S HN 0.432 nan 8.310 nan 0.000 0.514 109 P HA -0.185 nan 4.420 nan 0.000 0.218 109 P C 0.896 178.143 177.300 -0.088 0.000 1.154 109 P CA 1.505 64.532 63.100 -0.121 0.000 0.872 109 P CB -0.037 31.620 31.700 -0.073 0.000 0.790 110 D N -1.718 118.608 120.400 -0.122 0.000 2.144 110 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 110 D C 1.619 177.877 176.300 -0.071 0.000 0.984 110 D CA 1.919 55.861 54.000 -0.097 0.000 0.834 110 D CB -0.717 39.987 40.800 -0.159 0.000 0.955 110 D HN 0.230 nan 8.370 nan 0.000 0.465 111 G N 0.623 109.378 108.800 -0.074 0.000 2.137 111 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.237 111 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.237 111 G C 0.811 175.697 174.900 -0.023 0.000 1.002 111 G CA 0.548 45.680 45.100 0.054 0.000 0.702 111 G HN 0.368 nan 8.290 nan 0.000 0.515 112 Q N -1.672 118.011 119.800 -0.195 0.000 2.297 112 Q HA 0.376 4.716 4.340 -0.000 0.000 0.203 112 Q C 0.196 175.830 176.000 -0.610 0.000 0.931 112 Q CA 0.680 56.197 55.803 -0.477 0.000 0.885 112 Q CB 0.417 28.721 28.738 -0.722 0.000 0.991 112 Q HN 0.540 nan 8.270 nan 0.000 0.498 113 F N -0.001 119.934 119.950 -0.025 0.000 2.563 113 F HA 0.458 4.985 4.527 -0.000 0.000 0.316 113 F C -0.438 175.488 175.800 0.210 0.000 1.076 113 F CA -1.229 56.842 58.000 0.119 0.000 0.921 113 F CB 1.361 40.473 39.000 0.186 0.000 1.209 113 F HN -0.197 nan 8.300 nan 0.000 0.462 114 I N 3.132 124.035 120.570 0.556 0.000 2.392 114 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 114 I C -0.894 175.553 176.117 0.549 0.000 0.985 114 I CA -1.011 60.598 61.300 0.515 0.000 1.221 114 I CB 1.422 39.691 38.000 0.448 0.000 1.366 114 I HN 0.298 nan 8.210 nan 0.000 0.467 115 L N 7.287 128.850 121.223 0.566 0.000 2.290 115 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 115 L C -0.630 176.384 176.870 0.240 0.000 1.078 115 L CA 0.094 55.143 54.840 0.349 0.000 0.815 115 L CB 0.622 42.802 42.059 0.202 0.000 1.162 115 L HN 0.481 nan 8.230 nan 0.000 0.435 116 L N 4.822 126.140 121.223 0.158 0.000 2.317 116 L HA 0.544 4.884 4.340 -0.000 0.000 0.281 116 L C -0.225 176.746 176.870 0.169 0.000 1.024 116 L CA -0.493 54.365 54.840 0.031 0.000 0.810 116 L CB 1.707 43.632 42.059 -0.224 0.000 1.240 116 L HN 0.612 nan 8.230 nan 0.000 0.427 117 E N 3.022 123.258 120.200 0.060 0.000 2.191 117 E HA 0.444 4.793 4.350 -0.000 0.000 0.263 117 E C -1.708 174.900 176.600 0.013 0.000 0.881 117 E CA -0.521 55.855 56.400 -0.041 0.000 0.757 117 E CB 1.348 31.087 29.700 0.066 0.000 1.147 117 E HN 0.442 nan 8.360 nan 0.000 0.414 118 Y N 1.559 121.712 120.300 -0.246 0.000 2.818 118 Y HA 0.489 5.039 4.550 -0.000 0.000 0.322 118 Y C -0.043 175.766 175.900 -0.151 0.000 1.323 118 Y CA -1.682 56.324 58.100 -0.156 0.000 1.090 118 Y CB 0.281 38.666 38.460 -0.123 0.000 1.328 118 Y HN 0.437 nan 8.280 nan 0.000 0.482 119 N N -0.026 118.633 118.700 -0.068 0.000 2.714 119 N HA -0.300 4.440 4.740 -0.000 0.000 0.252 119 N C -1.156 174.299 175.510 -0.092 0.000 1.014 119 N CA 1.038 54.010 53.050 -0.130 0.000 0.735 119 N CB -1.436 36.857 38.487 -0.323 0.000 0.924 119 N HN 0.843 nan 8.380 nan 0.000 0.540 120 Y N -0.360 119.864 120.300 -0.127 0.000 2.496 120 Y HA 0.375 4.925 4.550 -0.000 0.000 0.334 120 Y C -0.118 175.750 175.900 -0.052 0.000 1.080 120 Y CA -0.360 57.684 58.100 -0.093 0.000 1.355 120 Y CB 0.752 39.118 38.460 -0.156 0.000 1.193 120 Y HN -0.022 nan 8.280 nan 0.000 0.523 121 V N 8.105 127.708 119.914 -0.518 0.000 2.407 121 V HA 0.219 4.339 4.120 -0.000 0.000 0.291 121 V C -0.248 175.452 176.094 -0.657 0.000 1.018 121 V CA -1.323 60.696 62.300 -0.467 0.000 0.842 121 V CB 1.359 33.043 31.823 -0.232 0.000 0.996 121 V HN 0.766 nan 8.190 nan 0.000 0.426 122 K N 3.878 123.903 120.400 -0.626 0.000 2.382 122 K HA 0.233 4.553 4.320 -0.000 0.000 0.275 122 K C 0.310 176.736 176.600 -0.290 0.000 1.009 122 K CA 0.186 56.245 56.287 -0.380 0.000 0.970 122 K CB 1.003 33.446 32.500 -0.095 0.000 0.934 122 K HN 0.799 nan 8.250 nan 0.000 0.479 123 Q N 2.513 122.129 119.800 -0.306 0.000 2.965 123 Q HA 0.175 4.515 4.340 -0.000 0.000 0.217 123 Q C 0.119 175.903 176.000 -0.360 0.000 1.113 123 Q CA -0.378 55.067 55.803 -0.596 0.000 0.373 123 Q CB 0.127 28.358 28.738 -0.844 0.000 5.238 123 Q HN 0.708 nan 8.270 nan 0.000 0.337 124 W N 0.408 121.691 121.300 -0.029 0.000 1.705 124 W HA 0.310 4.970 4.660 -0.000 0.000 0.634 124 W C 1.898 178.377 176.519 -0.067 0.000 1.570 124 W CA -0.645 56.700 57.345 0.000 0.000 1.631 124 W CB -0.159 29.259 29.460 -0.070 0.000 3.266 124 W HN 0.303 nan 8.180 nan 0.000 0.778 125 R N -0.683 119.859 120.500 0.069 0.000 2.090 125 R HA -0.113 4.227 4.340 -0.000 0.000 0.228 125 R C 1.740 177.838 176.300 -0.337 0.000 1.110 125 R CA 1.580 57.548 56.100 -0.220 0.000 0.973 125 R CB -0.304 29.701 30.300 -0.493 0.000 0.869 125 R HN 0.499 nan 8.270 nan 0.000 0.440 126 H N -1.209 117.922 119.070 0.103 0.000 2.657 126 H HA 0.154 4.710 4.556 -0.000 0.000 0.262 126 H C 0.679 176.099 175.328 0.154 0.000 0.965 126 H CA 0.460 56.593 56.048 0.142 0.000 1.184 126 H CB -0.000 29.820 29.762 0.097 0.000 1.443 126 H HN 0.113 nan 8.280 nan 0.000 0.462 127 S N 1.506 117.189 115.700 -0.029 0.000 2.572 127 S HA 0.309 4.779 4.470 -0.000 0.000 0.279 127 S C -0.187 174.299 174.600 -0.191 0.000 1.341 127 S CA -0.377 57.488 58.200 -0.559 0.000 1.043 127 S CB 0.394 62.729 63.200 -1.442 0.000 0.887 127 S HN 0.495 nan 8.310 nan 0.000 0.516 128 Y N -2.074 118.074 120.300 -0.254 0.000 2.814 128 Y HA 0.665 5.215 4.550 -0.000 0.000 0.348 128 Y C -0.877 175.024 175.900 0.003 0.000 1.245 128 Y CA -0.835 57.149 58.100 -0.194 0.000 1.086 128 Y CB 0.646 38.978 38.460 -0.214 0.000 1.373 128 Y HN 0.887 nan 8.280 nan 0.000 0.451 129 T N 0.116 114.708 114.554 0.064 0.000 2.887 129 T HA 0.989 5.339 4.350 -0.000 0.000 0.288 129 T C -0.691 174.065 174.700 0.092 0.000 1.021 129 T CA -0.045 62.089 62.100 0.057 0.000 1.000 129 T CB 1.626 70.486 68.868 -0.013 0.000 1.034 129 T HN 1.783 nan 8.240 nan 0.000 0.467 130 A N 1.493 124.316 122.820 0.006 0.000 2.602 130 A HA 0.816 5.136 4.320 -0.000 0.000 0.290 130 A C -0.343 176.907 177.584 -0.557 0.000 1.114 130 A CA -0.959 50.920 52.037 -0.263 0.000 0.683 130 A CB 1.419 20.260 19.000 -0.266 0.000 1.281 130 A HN 0.850 nan 8.150 nan 0.000 0.416 131 S N -0.520 114.676 115.700 -0.840 0.000 2.616 131 S HA 0.703 5.173 4.470 -0.000 0.000 0.277 131 S C -1.462 172.495 174.600 -1.071 0.000 1.234 131 S CA 0.064 57.697 58.200 -0.944 0.000 1.028 131 S CB 0.387 62.761 63.200 -1.376 0.000 0.988 131 S HN 0.422 nan 8.310 nan 0.000 0.522 132 Y N 0.551 120.676 120.300 -0.292 0.000 2.386 132 Y HA 0.392 4.942 4.550 -0.000 0.000 0.334 132 Y C -0.327 175.572 175.900 -0.003 0.000 1.002 132 Y CA -0.970 57.057 58.100 -0.121 0.000 1.068 132 Y CB 1.575 39.896 38.460 -0.232 0.000 1.203 132 Y HN 0.491 nan 8.280 nan 0.000 0.443 133 D N 3.171 123.737 120.400 0.276 0.000 2.269 133 D HA 0.581 5.221 4.640 -0.000 0.000 0.244 133 D C -0.673 175.702 176.300 0.124 0.000 0.992 133 D CA -0.327 53.780 54.000 0.177 0.000 0.894 133 D CB 2.404 43.325 40.800 0.202 0.000 1.248 133 D HN 0.388 nan 8.370 nan 0.000 0.468 134 I N 1.381 122.020 120.570 0.117 0.000 2.493 134 I HA 0.307 4.477 4.170 -0.000 0.000 0.298 134 I C -0.858 175.435 176.117 0.293 0.000 0.998 134 I CA -0.993 60.425 61.300 0.195 0.000 1.137 134 I CB 1.470 39.536 38.000 0.111 0.000 1.310 134 I HN 0.213 nan 8.210 nan 0.000 0.445 135 Y N 4.148 124.609 120.300 0.269 0.000 2.429 135 Y HA 0.359 4.909 4.550 -0.000 0.000 0.342 135 Y C -0.566 175.560 175.900 0.376 0.000 1.004 135 Y CA -0.651 57.617 58.100 0.280 0.000 1.075 135 Y CB 1.500 40.145 38.460 0.308 0.000 1.214 135 Y HN 0.471 nan 8.280 nan 0.000 0.455 136 D N 5.994 126.314 120.400 -0.134 0.000 2.412 136 D HA 0.164 4.804 4.640 -0.000 0.000 0.224 136 D C 0.519 176.642 176.300 -0.296 0.000 1.093 136 D CA 0.056 53.983 54.000 -0.122 0.000 0.850 136 D CB 1.008 41.777 40.800 -0.051 0.000 1.046 136 D HN 0.829 nan 8.370 nan 0.000 0.507 137 L N 3.174 124.307 121.223 -0.149 0.000 2.275 137 L HA -0.097 4.243 4.340 -0.000 0.000 0.215 137 L C 1.866 178.633 176.870 -0.171 0.000 1.119 137 L CA 0.457 55.254 54.840 -0.071 0.000 0.790 137 L CB -0.207 41.796 42.059 -0.093 0.000 0.919 137 L HN 0.327 nan 8.230 nan 0.000 0.443 138 N N 1.295 119.851 118.700 -0.241 0.000 2.459 138 N HA -0.124 4.616 4.740 -0.000 0.000 0.181 138 N C 1.095 176.513 175.510 -0.153 0.000 1.046 138 N CA 1.040 53.970 53.050 -0.200 0.000 0.904 138 N CB 0.082 38.437 38.487 -0.220 0.000 0.964 138 N HN 0.590 nan 8.380 nan 0.000 0.444 139 K N -0.618 119.683 120.400 -0.165 0.000 2.586 139 K HA 0.261 4.581 4.320 -0.000 0.000 0.198 139 K C -0.366 176.142 176.600 -0.154 0.000 1.170 139 K CA -0.455 55.751 56.287 -0.136 0.000 1.069 139 K CB 0.728 33.160 32.500 -0.114 0.000 0.944 139 K HN -0.249 nan 8.250 nan 0.000 0.572 140 R N 1.011 121.400 120.500 -0.184 0.000 3.416 140 R HA -0.186 4.154 4.340 -0.000 0.000 0.263 140 R C -0.879 175.227 176.300 -0.323 0.000 1.053 140 R CA 0.873 56.886 56.100 -0.146 0.000 0.705 140 R CB -1.885 28.413 30.300 -0.002 0.000 1.124 140 R HN 0.506 nan 8.270 nan 0.000 0.444 141 Q N 0.309 119.717 119.800 -0.653 0.000 2.330 141 Q HA 0.493 4.833 4.340 -0.000 0.000 0.269 141 Q C -0.591 175.108 176.000 -0.502 0.000 1.022 141 Q CA -0.557 55.005 55.803 -0.403 0.000 0.796 141 Q CB 1.593 30.209 28.738 -0.204 0.000 1.271 141 Q HN 0.303 nan 8.270 nan 0.000 0.450 142 L N 4.534 125.685 121.223 -0.120 0.000 2.360 142 L HA 0.322 4.662 4.340 -0.000 0.000 0.276 142 L C -0.218 176.680 176.870 0.046 0.000 1.121 142 L CA -0.224 54.660 54.840 0.073 0.000 0.845 142 L CB 0.519 42.702 42.059 0.206 0.000 1.143 142 L HN 0.638 nan 8.230 nan 0.000 0.452 143 I N 2.971 123.582 120.570 0.068 0.000 2.556 143 I HA -0.012 4.158 4.170 -0.000 0.000 0.284 143 I C 1.217 177.368 176.117 0.057 0.000 1.114 143 I CA 0.372 61.706 61.300 0.057 0.000 1.418 143 I CB 1.178 39.212 38.000 0.056 0.000 1.394 143 I HN 0.716 nan 8.210 nan 0.000 0.552 144 T N 0.557 115.135 114.554 0.040 0.000 2.975 144 T HA 0.162 4.512 4.350 -0.000 0.000 0.261 144 T C 0.253 174.961 174.700 0.012 0.000 0.984 144 T CA -0.422 61.701 62.100 0.039 0.000 0.911 144 T CB 0.119 69.013 68.868 0.043 0.000 1.127 144 T HN 0.603 nan 8.240 nan 0.000 0.514 145 E N 1.500 121.700 120.200 -0.001 0.000 2.207 145 E HA 0.367 4.717 4.350 -0.000 0.000 0.270 145 E C -0.589 175.986 176.600 -0.042 0.000 0.927 145 E CA -0.699 55.689 56.400 -0.019 0.000 0.799 145 E CB 1.254 30.947 29.700 -0.013 0.000 1.172 145 E HN 0.031 nan 8.360 nan 0.000 0.404 146 E N 0.106 120.269 120.200 -0.062 0.000 2.791 146 E HA -0.244 4.106 4.350 -0.000 0.000 0.271 146 E C 0.077 176.604 176.600 -0.122 0.000 1.044 146 E CA 1.150 57.496 56.400 -0.089 0.000 0.814 146 E CB -1.670 27.983 29.700 -0.078 0.000 1.400 146 E HN 0.806 nan 8.360 nan 0.000 0.423 147 R N 0.208 120.637 120.500 -0.118 0.000 2.756 147 R HA 0.299 4.639 4.340 -0.000 0.000 0.264 147 R C 0.695 176.838 176.300 -0.262 0.000 1.026 147 R CA -0.211 55.802 56.100 -0.146 0.000 1.121 147 R CB 0.316 30.566 30.300 -0.082 0.000 0.999 147 R HN 0.038 nan 8.270 nan 0.000 0.449 148 I N 3.493 123.856 120.570 -0.346 0.000 2.683 148 I HA 0.025 4.195 4.170 -0.000 0.000 0.286 148 I C -1.668 174.163 176.117 -0.476 0.000 1.175 148 I CA -1.642 59.300 61.300 -0.598 0.000 1.429 148 I CB 0.432 38.031 38.000 -0.668 0.000 1.371 148 I HN 0.540 nan 8.210 nan 0.000 0.569 149 P HA 0.022 nan 4.420 nan 0.000 0.268 149 P C -0.661 176.450 177.300 -0.315 0.000 1.208 149 P CA -0.198 62.543 63.100 -0.597 0.000 0.777 149 P CB 0.322 31.231 31.700 -1.318 0.000 0.875 150 N N 2.751 121.341 118.700 -0.184 0.000 2.381 150 N HA -0.038 4.702 4.740 -0.000 0.000 0.241 150 N C 0.478 176.050 175.510 0.104 0.000 1.279 150 N CA 0.499 53.493 53.050 -0.092 0.000 0.896 150 N CB -0.382 38.062 38.487 -0.072 0.000 1.118 150 N HN 0.444 nan 8.380 nan 0.000 0.438 151 N N -1.309 117.412 118.700 0.035 0.000 2.735 151 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 151 N C -0.797 174.851 175.510 0.230 0.000 1.083 151 N CA 0.685 53.791 53.050 0.093 0.000 0.703 151 N CB -1.902 36.633 38.487 0.080 0.000 1.005 151 N HN 0.468 nan 8.380 nan 0.000 0.550 152 T N 0.797 115.493 114.554 0.238 0.000 2.901 152 T HA 0.099 4.449 4.350 -0.000 0.000 0.301 152 T C 1.756 176.598 174.700 0.237 0.000 1.012 152 T CA 0.053 62.343 62.100 0.317 0.000 1.135 152 T CB 1.339 70.373 68.868 0.276 0.000 0.936 152 T HN 0.193 nan 8.240 nan 0.000 0.539 153 Q N 1.645 121.570 119.800 0.208 0.000 2.163 153 Q HA 0.136 4.476 4.340 -0.000 0.000 0.198 153 Q C 0.166 176.290 176.000 0.206 0.000 0.954 153 Q CA 0.584 56.504 55.803 0.194 0.000 0.851 153 Q CB 0.671 29.449 28.738 0.068 0.000 0.928 153 Q HN 0.691 nan 8.270 nan 0.000 0.459 154 W N 0.232 121.461 121.300 -0.119 0.000 3.439 154 W HA 0.469 5.129 4.660 -0.000 0.000 0.323 154 W C -2.196 174.228 176.519 -0.159 0.000 1.174 154 W CA -0.644 56.595 57.345 -0.177 0.000 1.224 154 W CB 1.444 30.727 29.460 -0.294 0.000 1.348 154 W HN -0.361 nan 8.180 nan 0.000 0.498 155 V N 4.011 123.269 119.914 -1.093 0.000 2.638 155 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 155 V C -0.355 175.076 176.094 -1.105 0.000 1.052 155 V CA -0.532 61.173 62.300 -0.992 0.000 0.885 155 V CB 1.813 32.932 31.823 -1.173 0.000 0.999 155 V HN 0.485 nan 8.190 nan 0.000 0.424 156 T N 3.462 117.640 114.554 -0.626 0.000 2.952 156 T HA 0.537 4.887 4.350 -0.000 0.000 0.305 156 T C -1.186 173.512 174.700 -0.003 0.000 1.064 156 T CA -0.328 61.610 62.100 -0.269 0.000 1.008 156 T CB 0.823 69.724 68.868 0.055 0.000 1.078 156 T HN 0.515 nan 8.240 nan 0.000 0.459 157 W N 2.889 124.260 121.300 0.119 0.000 2.093 157 W HA 0.439 5.099 4.660 -0.000 0.000 0.352 157 W C 1.197 177.697 176.519 -0.032 0.000 1.294 157 W CA -0.685 56.708 57.345 0.079 0.000 1.290 157 W CB 0.546 30.025 29.460 0.032 0.000 1.149 157 W HN 0.749 nan 8.180 nan 0.000 0.606 158 S N 0.873 116.419 115.700 -0.256 0.000 2.614 158 S HA 0.210 4.679 4.470 -0.000 0.000 0.265 158 S C -1.910 172.440 174.600 -0.416 0.000 1.303 158 S CA -1.060 56.388 58.200 -1.254 0.000 1.000 158 S CB 1.049 63.379 63.200 -1.449 0.000 0.935 158 S HN 0.250 nan 8.310 nan 0.000 0.551 159 P HA -0.054 nan 4.420 nan 0.000 0.217 159 P C 1.341 178.613 177.300 -0.046 0.000 1.150 159 P CA 1.066 64.132 63.100 -0.056 0.000 0.832 159 P CB -0.121 31.584 31.700 0.008 0.000 0.787 160 V N -5.438 114.419 119.914 -0.096 0.000 3.484 160 V HA 0.417 4.537 4.120 -0.000 0.000 0.252 160 V C 1.428 177.498 176.094 -0.040 0.000 1.282 160 V CA 0.657 62.929 62.300 -0.046 0.000 1.104 160 V CB -1.018 30.792 31.823 -0.023 0.000 0.868 160 V HN 0.008 nan 8.190 nan 0.000 0.457 161 G N 1.667 110.418 108.800 -0.081 0.000 2.529 161 G HA2 0.242 4.202 3.960 -0.000 0.000 0.234 161 G HA3 0.242 4.202 3.960 -0.000 0.000 0.234 161 G C 0.566 175.556 174.900 0.151 0.000 1.527 161 G CA 0.599 45.709 45.100 0.016 0.000 1.062 161 G HN 0.824 nan 8.290 nan 0.000 0.558 162 H N -1.156 117.929 119.070 0.026 0.000 2.777 162 H HA 0.354 4.910 4.556 -0.000 0.000 0.244 162 H C 0.040 175.551 175.328 0.306 0.000 1.185 162 H CA -0.522 55.603 56.048 0.128 0.000 0.945 162 H CB -0.597 29.279 29.762 0.190 0.000 1.994 162 H HN 0.265 nan 8.280 nan 0.000 0.638 163 K N 1.296 121.730 120.400 0.056 0.000 2.286 163 K HA 0.416 4.736 4.320 -0.000 0.000 0.256 163 K C -0.262 176.494 176.600 0.259 0.000 0.999 163 K CA -0.205 56.122 56.287 0.067 0.000 0.908 163 K CB 1.214 33.661 32.500 -0.088 0.000 0.981 163 K HN 0.091 nan 8.250 nan 0.000 0.500 164 L N 0.502 121.849 121.223 0.207 0.000 2.401 164 L HA 0.502 4.842 4.340 -0.000 0.000 0.266 164 L C -0.960 176.098 176.870 0.313 0.000 0.991 164 L CA -0.873 54.035 54.840 0.113 0.000 0.818 164 L CB 2.183 44.142 42.059 -0.167 0.000 1.321 164 L HN 0.703 nan 8.230 nan 0.000 0.413 165 A N 2.509 125.496 122.820 0.278 0.000 2.342 165 A HA 0.830 5.150 4.320 -0.000 0.000 0.323 165 A C -1.548 176.031 177.584 -0.008 0.000 1.125 165 A CA -0.369 51.694 52.037 0.043 0.000 0.785 165 A CB 1.044 19.897 19.000 -0.245 0.000 1.221 165 A HN 0.661 nan 8.150 nan 0.000 0.463 166 Y N -0.245 119.974 120.300 -0.136 0.000 2.534 166 Y HA 0.706 5.256 4.550 -0.000 0.000 0.345 166 Y C -1.334 174.553 175.900 -0.021 0.000 1.031 166 Y CA -1.445 56.561 58.100 -0.156 0.000 1.022 166 Y CB 1.159 39.471 38.460 -0.245 0.000 1.292 166 Y HN 0.368 nan 8.280 nan 0.000 0.459 167 V N 3.437 123.418 119.914 0.112 0.000 2.398 167 V HA 0.341 4.461 4.120 -0.000 0.000 0.286 167 V C -1.295 174.942 176.094 0.238 0.000 1.026 167 V CA -0.574 61.776 62.300 0.083 0.000 0.868 167 V CB 1.100 32.900 31.823 -0.040 0.000 0.982 167 V HN 0.889 nan 8.190 nan 0.000 0.443 168 W N 5.203 126.507 121.300 0.007 0.000 3.042 168 W HA 0.472 5.132 4.660 -0.000 0.000 0.337 168 W C 0.309 176.812 176.519 -0.026 0.000 1.086 168 W CA -0.729 56.595 57.345 -0.034 0.000 1.236 168 W CB 1.256 30.637 29.460 -0.133 0.000 1.381 168 W HN 0.774 nan 8.180 nan 0.000 0.472 169 N N 5.288 123.651 118.700 -0.562 0.000 2.721 169 N HA -0.351 4.389 4.740 -0.000 0.000 0.249 169 N C 0.043 175.392 175.510 -0.268 0.000 1.072 169 N CA 1.091 53.801 53.050 -0.566 0.000 0.710 169 N CB -1.147 36.787 38.487 -0.921 0.000 0.993 169 N HN 0.786 nan 8.380 nan 0.000 0.547 170 N N -2.116 116.485 118.700 -0.165 0.000 2.850 170 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 170 N C -1.423 174.007 175.510 -0.133 0.000 1.060 170 N CA 1.055 54.021 53.050 -0.141 0.000 0.825 170 N CB -0.400 37.958 38.487 -0.214 0.000 1.132 170 N HN 0.423 nan 8.380 nan 0.000 0.564 171 D N 0.593 120.944 120.400 -0.081 0.000 2.575 171 D HA 0.484 5.124 4.640 -0.000 0.000 0.236 171 D C 0.146 176.351 176.300 -0.157 0.000 1.075 171 D CA -0.387 53.509 54.000 -0.173 0.000 0.860 171 D CB 1.617 42.288 40.800 -0.216 0.000 1.475 171 D HN 0.028 nan 8.370 nan 0.000 0.474 172 I N 1.762 122.069 120.570 -0.437 0.000 2.474 172 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 172 I C -0.613 175.123 176.117 -0.636 0.000 1.048 172 I CA -0.206 60.816 61.300 -0.464 0.000 1.383 172 I CB 0.369 37.984 38.000 -0.642 0.000 1.412 172 I HN 0.132 nan 8.210 nan 0.000 0.531 173 Y N 4.606 124.509 120.300 -0.661 0.000 2.391 173 Y HA 0.566 5.116 4.550 -0.000 0.000 0.341 173 Y C -0.332 175.239 175.900 -0.549 0.000 0.965 173 Y CA -0.953 56.695 58.100 -0.754 0.000 1.067 173 Y CB 1.876 39.513 38.460 -1.373 0.000 1.199 173 Y HN 0.127 nan 8.280 nan 0.000 0.450 174 V N 3.918 123.764 119.914 -0.113 0.000 2.417 174 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 174 V C -0.524 175.709 176.094 0.231 0.000 1.024 174 V CA -1.246 61.099 62.300 0.074 0.000 0.861 174 V CB 1.720 33.592 31.823 0.081 0.000 0.985 174 V HN 0.638 nan 8.190 nan 0.000 0.436 175 K N 4.290 124.825 120.400 0.226 0.000 2.559 175 K HA 0.523 4.843 4.320 -0.000 0.000 0.249 175 K C 0.203 176.884 176.600 0.136 0.000 0.958 175 K CA -0.539 55.861 56.287 0.188 0.000 0.901 175 K CB 1.373 33.963 32.500 0.150 0.000 1.124 175 K HN 0.626 nan 8.250 nan 0.000 0.437 176 I N 1.672 122.335 120.570 0.154 0.000 2.761 176 I HA -0.042 4.128 4.170 -0.000 0.000 0.261 176 I C 0.255 176.321 176.117 -0.086 0.000 1.198 176 I CA 0.858 62.185 61.300 0.044 0.000 1.482 176 I CB 0.314 38.362 38.000 0.080 0.000 1.100 176 I HN 0.450 nan 8.210 nan 0.000 0.445 177 E N -0.007 120.173 120.200 -0.033 0.000 2.263 177 E HA 0.228 4.577 4.350 -0.000 0.000 0.268 177 E C -2.024 174.524 176.600 -0.086 0.000 0.884 177 E CA -1.773 54.587 56.400 -0.066 0.000 0.766 177 E CB 1.792 31.503 29.700 0.017 0.000 1.196 177 E HN -0.224 nan 8.360 nan 0.000 0.416 178 P HA -0.189 nan 4.420 nan 0.000 0.228 178 P C 0.523 177.740 177.300 -0.137 0.000 1.143 178 P CA 1.372 64.311 63.100 -0.268 0.000 0.771 178 P CB 0.212 31.486 31.700 -0.710 0.000 0.764 179 N N -3.678 114.981 118.700 -0.069 0.000 2.113 179 N HA 0.063 4.803 4.740 -0.000 0.000 0.223 179 N C 0.114 175.607 175.510 -0.027 0.000 1.310 179 N CA -0.051 52.981 53.050 -0.030 0.000 0.896 179 N CB -0.363 38.130 38.487 0.010 0.000 1.097 179 N HN 0.032 nan 8.380 nan 0.000 0.507 180 L N 1.992 123.199 121.223 -0.026 0.000 2.464 180 L HA 0.423 4.763 4.340 -0.000 0.000 0.264 180 L C -2.002 174.822 176.870 -0.077 0.000 1.199 180 L CA -1.419 53.400 54.840 -0.035 0.000 0.818 180 L CB 0.172 42.227 42.059 -0.006 0.000 1.102 180 L HN -0.014 nan 8.230 nan 0.000 0.473 181 P HA 0.183 nan 4.420 nan 0.000 0.273 181 P C -1.241 175.915 177.300 -0.240 0.000 1.250 181 P CA -0.428 62.570 63.100 -0.170 0.000 0.793 181 P CB 0.580 32.161 31.700 -0.198 0.000 1.011 182 S N -0.332 115.265 115.700 -0.171 0.000 2.565 182 S HA 0.462 4.932 4.470 -0.000 0.000 0.290 182 S C -0.742 173.737 174.600 -0.201 0.000 1.150 182 S CA -0.277 57.873 58.200 -0.084 0.000 1.058 182 S CB 0.089 63.372 63.200 0.137 0.000 1.032 182 S HN 0.221 nan 8.310 nan 0.000 0.510 183 Y N 0.946 121.236 120.300 -0.016 0.000 2.323 183 Y HA 0.415 4.965 4.550 -0.000 0.000 0.331 183 Y C 1.051 176.803 175.900 -0.247 0.000 1.092 183 Y CA -0.848 57.207 58.100 -0.074 0.000 1.150 183 Y CB 0.711 39.144 38.460 -0.045 0.000 1.200 183 Y HN 0.326 nan 8.280 nan 0.000 0.472 184 R N 3.046 123.408 120.500 -0.229 0.000 2.340 184 R HA 0.219 4.559 4.340 -0.000 0.000 0.300 184 R C 0.193 176.239 176.300 -0.424 0.000 1.069 184 R CA -0.069 55.610 56.100 -0.701 0.000 0.984 184 R CB 0.796 30.428 30.300 -1.112 0.000 1.003 184 R HN 0.752 nan 8.270 nan 0.000 0.459 185 I N 0.364 120.616 120.570 -0.530 0.000 3.339 185 I HA 0.005 4.175 4.170 -0.000 0.000 0.285 185 I C 1.236 177.193 176.117 -0.266 0.000 1.201 185 I CA 0.868 61.993 61.300 -0.291 0.000 1.434 185 I CB -0.185 37.635 38.000 -0.301 0.000 1.152 185 I HN 0.450 nan 8.210 nan 0.000 0.443 186 T N -1.710 112.543 114.554 -0.503 0.000 2.903 186 T HA 0.384 4.734 4.350 -0.000 0.000 0.299 186 T C -1.055 173.356 174.700 -0.482 0.000 1.093 186 T CA -0.316 61.584 62.100 -0.334 0.000 1.002 186 T CB 1.526 70.158 68.868 -0.393 0.000 1.127 186 T HN 0.129 nan 8.240 nan 0.000 0.488 187 W N 0.660 121.844 121.300 -0.193 0.000 2.782 187 W HA 0.197 4.857 4.660 -0.000 0.000 0.268 187 W C 2.287 178.746 176.519 -0.101 0.000 1.043 187 W CA 0.417 57.684 57.345 -0.129 0.000 1.387 187 W CB -0.092 29.311 29.460 -0.095 0.000 0.904 187 W HN 0.797 nan 8.180 nan 0.000 0.625 188 T N -1.624 112.980 114.554 0.083 0.000 3.194 188 T HA 0.259 4.609 4.350 -0.000 0.000 0.251 188 T C 1.057 175.746 174.700 -0.018 0.000 1.132 188 T CA 0.319 62.441 62.100 0.037 0.000 1.028 188 T CB -0.522 68.360 68.868 0.024 0.000 0.976 188 T HN 0.003 nan 8.240 nan 0.000 0.535 189 G N 0.993 109.757 108.800 -0.061 0.000 2.398 189 G HA2 0.421 4.381 3.960 -0.000 0.000 0.246 189 G HA3 0.421 4.381 3.960 -0.000 0.000 0.246 189 G C -0.689 174.142 174.900 -0.116 0.000 1.289 189 G CA -0.697 44.338 45.100 -0.109 0.000 0.869 189 G HN 0.532 nan 8.290 nan 0.000 0.543 190 K N 2.086 122.392 120.400 -0.157 0.000 2.652 190 K HA 0.170 4.490 4.320 -0.000 0.000 0.249 190 K C -0.033 176.437 176.600 -0.217 0.000 0.986 190 K CA -0.612 55.586 56.287 -0.149 0.000 0.867 190 K CB 1.239 33.688 32.500 -0.085 0.000 1.201 190 K HN 0.618 nan 8.250 nan 0.000 0.450 191 E N 3.356 123.432 120.200 -0.206 0.000 3.311 191 E HA -0.234 4.116 4.350 -0.000 0.000 0.264 191 E C -0.548 175.961 176.600 -0.151 0.000 0.875 191 E CA 1.354 57.641 56.400 -0.189 0.000 0.969 191 E CB 0.144 29.767 29.700 -0.128 0.000 0.910 191 E HN 0.700 nan 8.360 nan 0.000 0.548 192 D N 2.365 122.672 120.400 -0.155 0.000 3.070 192 D HA -0.247 4.393 4.640 -0.000 0.000 0.220 192 D C 0.566 176.902 176.300 0.059 0.000 1.176 192 D CA 1.352 55.381 54.000 0.047 0.000 0.924 192 D CB -0.495 40.363 40.800 0.097 0.000 1.124 192 D HN 0.413 nan 8.370 nan 0.000 0.411 193 I N -1.063 119.440 120.570 -0.112 0.000 3.746 193 I HA 0.200 4.370 4.170 -0.000 0.000 0.262 193 I C 0.857 177.001 176.117 0.045 0.000 1.153 193 I CA 0.313 61.626 61.300 0.021 0.000 1.395 193 I CB 0.294 38.294 38.000 -0.000 0.000 1.589 193 I HN -0.161 nan 8.210 nan 0.000 0.441 194 I N 0.832 121.327 120.570 -0.125 0.000 2.436 194 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 194 I C -1.461 174.555 176.117 -0.167 0.000 1.010 194 I CA -0.500 60.794 61.300 -0.009 0.000 1.098 194 I CB 2.075 40.085 38.000 0.016 0.000 1.266 194 I HN -0.048 nan 8.210 nan 0.000 0.434 195 Y N 4.757 125.129 120.300 0.121 0.000 2.364 195 Y HA 0.473 5.022 4.550 -0.000 0.000 0.340 195 Y C -0.045 175.870 175.900 0.024 0.000 0.975 195 Y CA -0.970 57.195 58.100 0.109 0.000 1.089 195 Y CB 1.308 39.928 38.460 0.267 0.000 1.192 195 Y HN 0.411 nan 8.280 nan 0.000 0.454 196 N N 1.823 120.543 118.700 0.034 0.000 2.443 196 N HA 0.335 5.075 4.740 -0.000 0.000 0.269 196 N C 0.664 176.043 175.510 -0.218 0.000 0.985 196 N CA 0.230 53.196 53.050 -0.141 0.000 0.921 196 N CB 1.918 40.220 38.487 -0.308 0.000 1.195 196 N HN 0.966 nan 8.380 nan 0.000 0.492 197 G N 1.635 110.311 108.800 -0.207 0.000 2.166 197 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 197 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 197 G C 0.067 174.795 174.900 -0.287 0.000 0.986 197 G CA 0.907 45.840 45.100 -0.278 0.000 0.683 197 G HN 0.673 nan 8.290 nan 0.000 0.527 198 I N -2.071 118.416 120.570 -0.139 0.000 2.769 198 I HA 0.758 4.928 4.170 -0.000 0.000 0.298 198 I C 0.334 176.526 176.117 0.125 0.000 1.128 198 I CA -0.723 60.448 61.300 -0.215 0.000 1.031 198 I CB 2.034 39.770 38.000 -0.440 0.000 1.235 198 I HN 0.138 nan 8.210 nan 0.000 0.423 199 T N 0.074 114.633 114.554 0.008 0.000 2.904 199 T HA 0.341 4.691 4.350 -0.000 0.000 0.290 199 T C -0.101 174.395 174.700 -0.341 0.000 1.018 199 T CA -0.644 61.309 62.100 -0.245 0.000 1.075 199 T CB 1.132 69.918 68.868 -0.137 0.000 0.986 199 T HN 0.764 nan 8.240 nan 0.000 0.523 200 D N 0.580 120.507 120.400 -0.788 0.000 2.447 200 D HA 0.026 4.666 4.640 -0.000 0.000 0.265 200 D C 1.011 177.237 176.300 -0.125 0.000 1.250 200 D CA -1.094 52.486 54.000 -0.699 0.000 1.046 200 D CB 0.056 40.388 40.800 -0.780 0.000 1.095 200 D HN 0.707 nan 8.370 nan 0.000 0.555 201 W N 0.100 121.342 121.300 -0.098 0.000 2.317 201 W HA -0.240 4.420 4.660 -0.000 0.000 0.318 201 W C 2.192 178.602 176.519 -0.181 0.000 1.227 201 W CA 2.556 59.832 57.345 -0.116 0.000 1.269 201 W CB -0.502 28.816 29.460 -0.237 0.000 1.155 201 W HN 0.183 nan 8.180 nan 0.000 0.484 202 V N -0.190 119.799 119.914 0.124 0.000 2.427 202 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 202 V C 1.910 177.846 176.094 -0.264 0.000 1.051 202 V CA 2.062 64.328 62.300 -0.055 0.000 1.048 202 V CB -0.763 31.022 31.823 -0.063 0.000 0.666 202 V HN 0.307 nan 8.190 nan 0.000 0.456 203 Y N 0.614 120.748 120.300 -0.277 0.000 2.242 203 Y HA -0.169 4.381 4.550 -0.000 0.000 0.291 203 Y C 2.598 178.406 175.900 -0.154 0.000 1.137 203 Y CA 2.090 60.036 58.100 -0.256 0.000 1.181 203 Y CB -0.100 38.064 38.460 -0.493 0.000 0.989 203 Y HN 0.379 nan 8.280 nan 0.000 0.527 204 E N 0.328 120.494 120.200 -0.056 0.000 2.051 204 E HA -0.297 4.053 4.350 -0.000 0.000 0.192 204 E C 1.950 178.508 176.600 -0.071 0.000 0.991 204 E CA 1.640 58.032 56.400 -0.013 0.000 0.799 204 E CB 0.020 29.700 29.700 -0.032 0.000 0.748 204 E HN 0.399 nan 8.360 nan 0.000 0.449 205 E N -0.069 119.898 120.200 -0.388 0.000 2.122 205 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 205 E C 1.469 177.933 176.600 -0.227 0.000 0.977 205 E CA 1.136 57.273 56.400 -0.439 0.000 0.820 205 E CB 0.290 29.351 29.700 -1.064 0.000 0.770 205 E HN 0.168 nan 8.360 nan 0.000 0.462 206 E N -0.894 119.159 120.200 -0.246 0.000 2.465 206 E HA 0.084 4.434 4.350 -0.000 0.000 0.209 206 E C 1.459 177.920 176.600 -0.232 0.000 0.951 206 E CA 0.697 56.988 56.400 -0.183 0.000 0.997 206 E CB 1.364 30.941 29.700 -0.206 0.000 1.025 206 E HN 0.258 nan 8.360 nan 0.000 0.500 207 V N -2.009 117.735 119.914 -0.283 0.000 3.159 207 V HA 0.202 4.322 4.120 -0.000 0.000 0.234 207 V C 0.890 176.764 176.094 -0.366 0.000 1.313 207 V CA 0.251 62.318 62.300 -0.389 0.000 1.271 207 V CB -0.031 31.420 31.823 -0.620 0.000 1.053 207 V HN -0.008 nan 8.190 nan 0.000 0.476 208 F N 1.545 121.515 119.950 0.034 0.000 2.720 208 F HA 0.470 4.997 4.527 -0.000 0.000 0.301 208 F C 1.628 177.413 175.800 -0.024 0.000 1.103 208 F CA 0.488 58.531 58.000 0.071 0.000 1.291 208 F CB 0.164 39.261 39.000 0.161 0.000 1.086 208 F HN 0.185 nan 8.300 nan 0.000 0.592 209 S N 0.511 116.251 115.700 0.067 0.000 3.477 209 S HA -0.078 4.392 4.470 -0.000 0.000 0.357 209 S C 0.177 174.385 174.600 -0.654 0.000 1.083 209 S CA 0.512 58.617 58.200 -0.158 0.000 1.042 209 S CB -1.871 61.281 63.200 -0.080 0.000 0.911 209 S HN 0.602 nan 8.310 nan 0.000 0.490 210 A N -0.775 121.897 122.820 -0.247 0.000 2.612 210 A HA 0.716 5.036 4.320 -0.000 0.000 0.293 210 A C -0.098 177.462 177.584 -0.039 0.000 1.075 210 A CA -0.551 51.348 52.037 -0.230 0.000 0.680 210 A CB 0.323 19.202 19.000 -0.203 0.000 1.279 210 A HN 0.173 nan 8.150 nan 0.000 0.411 211 Y N 1.234 121.359 120.300 -0.293 0.000 2.337 211 Y HA 0.110 4.660 4.550 -0.000 0.000 0.293 211 Y C 1.666 177.203 175.900 -0.605 0.000 1.123 211 Y CA 1.236 59.134 58.100 -0.337 0.000 1.201 211 Y CB -0.104 38.184 38.460 -0.286 0.000 1.011 211 Y HN 0.631 nan 8.280 nan 0.000 0.545 212 S N 0.130 115.223 115.700 -1.013 0.000 2.560 212 S HA 0.403 4.873 4.470 -0.000 0.000 0.284 212 S C 0.368 174.448 174.600 -0.868 0.000 1.327 212 S CA 0.311 57.710 58.200 -1.335 0.000 1.055 212 S CB 0.371 62.713 63.200 -1.431 0.000 0.868 212 S HN 0.407 nan 8.310 nan 0.000 0.506 213 A N 4.057 126.345 122.820 -0.886 0.000 2.709 213 A HA 0.478 4.798 4.320 -0.000 0.000 0.241 213 A C -0.895 175.949 177.584 -1.233 0.000 0.879 213 A CA -0.566 50.858 52.037 -1.021 0.000 1.120 213 A CB -0.241 18.569 19.000 -0.316 0.000 1.226 213 A HN 0.808 nan 8.150 nan 0.000 0.468 214 L N -4.337 116.115 121.223 -1.284 0.000 2.436 214 L HA 0.854 5.194 4.340 -0.000 0.000 0.268 214 L C -1.227 175.209 176.870 -0.724 0.000 0.974 214 L CA -1.004 53.359 54.840 -0.795 0.000 0.826 214 L CB 1.049 42.873 42.059 -0.392 0.000 1.291 214 L HN 0.221 nan 8.230 nan 0.000 0.406 215 W N 2.286 123.637 121.300 0.086 0.000 2.393 215 W HA 0.336 4.996 4.660 -0.000 0.000 0.315 215 W C -1.043 175.751 176.519 0.457 0.000 1.009 215 W CA -0.881 56.636 57.345 0.286 0.000 1.313 215 W CB 1.330 30.978 29.460 0.313 0.000 1.269 215 W HN 0.647 nan 8.180 nan 0.000 0.420 216 W N 2.594 124.173 121.300 0.465 0.000 2.193 216 W HA 0.108 4.768 4.660 -0.000 0.000 0.338 216 W C 1.449 177.949 176.519 -0.033 0.000 1.310 216 W CA 0.340 57.840 57.345 0.257 0.000 1.243 216 W CB 0.720 30.275 29.460 0.159 0.000 1.165 216 W HN 0.233 nan 8.180 nan 0.000 0.566 217 S N 2.787 118.396 115.700 -0.151 0.000 2.580 217 S HA 0.093 4.563 4.470 -0.000 0.000 0.266 217 S C -1.667 172.679 174.600 -0.423 0.000 1.354 217 S CA -0.931 56.584 58.200 -1.142 0.000 1.008 217 S CB 0.828 63.547 63.200 -0.801 0.000 0.898 217 S HN 0.300 nan 8.310 nan 0.000 0.555 218 P HA -0.153 nan 4.420 nan 0.000 0.216 218 P C 0.967 178.241 177.300 -0.044 0.000 1.154 218 P CA 1.819 64.878 63.100 -0.068 0.000 0.865 218 P CB -0.211 31.491 31.700 0.003 0.000 0.789 219 N N -2.366 116.291 118.700 -0.072 0.000 2.254 219 N HA 0.129 4.869 4.740 -0.000 0.000 0.190 219 N C 1.096 176.532 175.510 -0.124 0.000 1.107 219 N CA 0.785 53.795 53.050 -0.067 0.000 0.869 219 N CB -0.530 37.935 38.487 -0.036 0.000 0.983 219 N HN 0.156 nan 8.380 nan 0.000 0.487 220 G N -1.310 107.417 108.800 -0.122 0.000 2.141 220 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.231 220 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.231 220 G C 0.838 175.716 174.900 -0.037 0.000 0.984 220 G CA 0.525 45.524 45.100 -0.168 0.000 0.660 220 G HN 0.340 nan 8.290 nan 0.000 0.525 221 T N -0.025 114.477 114.554 -0.087 0.000 2.770 221 T HA 0.237 4.587 4.350 -0.000 0.000 0.263 221 T C 0.820 175.354 174.700 -0.276 0.000 1.039 221 T CA 1.218 63.164 62.100 -0.257 0.000 1.142 221 T CB -0.089 68.513 68.868 -0.443 0.000 0.868 221 T HN 0.293 nan 8.240 nan 0.000 0.435 222 F N 0.205 120.217 119.950 0.104 0.000 2.432 222 F HA 0.636 5.163 4.527 -0.000 0.000 0.329 222 F C -0.226 175.742 175.800 0.280 0.000 1.076 222 F CA -1.503 56.602 58.000 0.176 0.000 1.018 222 F CB 1.204 40.330 39.000 0.209 0.000 1.201 222 F HN -0.114 nan 8.300 nan 0.000 0.489 223 L N 2.570 124.029 121.223 0.393 0.000 2.415 223 L HA 0.784 5.124 4.340 -0.000 0.000 0.268 223 L C -0.609 176.388 176.870 0.212 0.000 0.984 223 L CA -0.274 54.633 54.840 0.111 0.000 0.853 223 L CB 0.787 42.603 42.059 -0.406 0.000 1.215 223 L HN 0.689 nan 8.230 nan 0.000 0.419 224 A N 4.287 127.310 122.820 0.339 0.000 2.286 224 A HA 0.769 5.089 4.320 -0.000 0.000 0.286 224 A C -1.177 176.477 177.584 0.117 0.000 1.097 224 A CA -0.049 52.017 52.037 0.047 0.000 0.821 224 A CB 0.485 19.529 19.000 0.074 0.000 1.076 224 A HN 0.927 nan 8.150 nan 0.000 0.490 225 Y N -2.737 117.405 120.300 -0.264 0.000 2.713 225 Y HA 0.712 5.262 4.550 -0.000 0.000 0.335 225 Y C -0.446 175.337 175.900 -0.195 0.000 1.222 225 Y CA -0.861 57.165 58.100 -0.123 0.000 1.061 225 Y CB 0.767 39.089 38.460 -0.231 0.000 1.314 225 Y HN 0.967 nan 8.280 nan 0.000 0.453 226 A N 1.615 124.562 122.820 0.212 0.000 2.337 226 A HA 0.678 4.998 4.320 -0.000 0.000 0.331 226 A C -1.316 176.172 177.584 -0.161 0.000 1.137 226 A CA -0.867 51.159 52.037 -0.018 0.000 0.807 226 A CB 1.850 20.746 19.000 -0.173 0.000 1.250 226 A HN 0.791 nan 8.150 nan 0.000 0.468 227 Q N 1.120 120.811 119.800 -0.181 0.000 2.331 227 Q HA 0.616 4.956 4.340 -0.000 0.000 0.267 227 Q C -1.969 173.831 176.000 -0.333 0.000 1.006 227 Q CA -0.377 55.348 55.803 -0.130 0.000 0.818 227 Q CB 0.921 29.774 28.738 0.192 0.000 1.276 227 Q HN 0.590 nan 8.270 nan 0.000 0.450 228 F N 2.316 122.371 119.950 0.175 0.000 2.450 228 F HA 0.420 4.947 4.527 -0.000 0.000 0.332 228 F C 0.272 176.240 175.800 0.280 0.000 1.093 228 F CA -1.005 57.083 58.000 0.147 0.000 1.003 228 F CB 1.338 40.326 39.000 -0.019 0.000 1.151 228 F HN 0.471 nan 8.300 nan 0.000 0.474 229 N N 1.359 120.305 118.700 0.410 0.000 2.483 229 N HA 0.260 5.000 4.740 -0.000 0.000 0.267 229 N C -0.843 174.850 175.510 0.305 0.000 0.998 229 N CA -0.420 52.822 53.050 0.321 0.000 0.918 229 N CB 0.880 39.498 38.487 0.218 0.000 1.215 229 N HN 0.465 nan 8.380 nan 0.000 0.500 230 D N 1.418 122.018 120.400 0.334 0.000 2.368 230 D HA 0.120 4.760 4.640 -0.000 0.000 0.218 230 D C 1.086 177.502 176.300 0.194 0.000 1.112 230 D CA 0.227 54.399 54.000 0.286 0.000 0.834 230 D CB 0.439 41.474 40.800 0.392 0.000 0.953 230 D HN 0.524 nan 8.370 nan 0.000 0.505 231 T N 0.174 114.823 114.554 0.159 0.000 2.653 231 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 231 T C 1.557 176.312 174.700 0.093 0.000 1.035 231 T CA 1.410 63.576 62.100 0.109 0.000 1.154 231 T CB -0.019 68.904 68.868 0.091 0.000 0.862 231 T HN 0.079 nan 8.240 nan 0.000 0.441 232 E N 0.299 120.556 120.200 0.096 0.000 2.463 232 E HA 0.165 4.515 4.350 -0.000 0.000 0.193 232 E C -0.586 176.063 176.600 0.081 0.000 1.041 232 E CA -0.154 56.292 56.400 0.076 0.000 0.879 232 E CB 0.315 30.055 29.700 0.066 0.000 0.997 232 E HN 0.189 nan 8.360 nan 0.000 0.478 233 V N 2.928 122.903 119.914 0.102 0.000 2.461 233 V HA 0.272 4.391 4.120 -0.000 0.000 0.275 233 V C -2.025 174.124 176.094 0.091 0.000 1.047 233 V CA -1.804 60.559 62.300 0.104 0.000 0.955 233 V CB 0.868 32.771 31.823 0.133 0.000 0.988 233 V HN 0.123 nan 8.190 nan 0.000 0.471 234 P HA 0.274 nan 4.420 nan 0.000 0.272 234 P C -0.738 176.596 177.300 0.056 0.000 1.230 234 P CA -0.304 62.830 63.100 0.058 0.000 0.788 234 P CB 0.517 32.248 31.700 0.052 0.000 0.949 235 L N 1.664 122.898 121.223 0.018 0.000 2.307 235 L HA 0.419 4.758 4.340 -0.000 0.000 0.282 235 L C 0.504 177.325 176.870 -0.082 0.000 1.051 235 L CA -1.028 53.803 54.840 -0.015 0.000 0.804 235 L CB 0.824 42.866 42.059 -0.028 0.000 1.197 235 L HN 0.288 nan 8.230 nan 0.000 0.431 236 I N 2.555 123.029 120.570 -0.160 0.000 2.519 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 236 I C -0.240 175.717 176.117 -0.266 0.000 1.047 236 I CA 0.319 61.424 61.300 -0.325 0.000 1.381 236 I CB 0.674 38.223 38.000 -0.751 0.000 1.417 236 I HN 0.588 nan 8.210 nan 0.000 0.540 237 E N 7.212 127.271 120.200 -0.235 0.000 2.246 237 E HA 0.461 4.811 4.350 -0.000 0.000 0.266 237 E C -1.792 174.721 176.600 -0.145 0.000 0.880 237 E CA -0.557 55.704 56.400 -0.232 0.000 0.762 237 E CB 1.974 31.574 29.700 -0.167 0.000 1.180 237 E HN 0.566 nan 8.360 nan 0.000 0.416 238 Y N -1.546 118.663 120.300 -0.152 0.000 2.625 238 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 238 Y C -0.612 175.210 175.900 -0.129 0.000 1.123 238 Y CA -1.283 56.735 58.100 -0.138 0.000 1.046 238 Y CB 0.938 39.324 38.460 -0.124 0.000 1.299 238 Y HN 0.181 nan 8.280 nan 0.000 0.464 239 S N 1.777 117.478 115.700 0.002 0.000 2.565 239 S HA 0.419 4.889 4.470 -0.000 0.000 0.276 239 S C -1.336 173.145 174.600 -0.198 0.000 1.326 239 S CA -0.354 57.686 58.200 -0.266 0.000 1.045 239 S CB 0.246 63.087 63.200 -0.598 0.000 0.918 239 S HN 0.511 nan 8.310 nan 0.000 0.505 240 F N 2.212 121.933 119.950 -0.381 0.000 2.467 240 F HA 0.446 4.973 4.527 -0.000 0.000 0.336 240 F C -0.199 175.386 175.800 -0.359 0.000 1.123 240 F CA -0.759 57.101 58.000 -0.234 0.000 0.964 240 F CB 0.959 39.942 39.000 -0.028 0.000 1.136 240 F HN 0.663 nan 8.300 nan 0.000 0.447 241 Y N 2.555 122.710 120.300 -0.241 0.000 2.479 241 Y HA 0.155 4.705 4.550 -0.000 0.000 0.283 241 Y C 1.568 177.439 175.900 -0.047 0.000 1.109 241 Y CA 0.930 58.958 58.100 -0.119 0.000 1.239 241 Y CB -0.380 37.978 38.460 -0.169 0.000 1.108 241 Y HN 0.727 nan 8.280 nan 0.000 0.548 242 S N 0.040 115.739 115.700 -0.001 0.000 3.513 242 S HA -0.223 4.247 4.470 -0.000 0.000 0.636 242 S C -0.542 174.125 174.600 0.111 0.000 2.452 242 S CA 0.256 58.568 58.200 0.186 0.000 2.644 242 S CB -1.261 62.128 63.200 0.315 0.000 0.331 242 S HN 0.433 nan 8.310 nan 0.000 1.787 243 D N 1.602 122.075 120.400 0.122 0.000 2.406 243 D HA 0.133 4.773 4.640 -0.000 0.000 0.234 243 D C 1.434 177.770 176.300 0.060 0.000 1.196 243 D CA 0.698 54.745 54.000 0.079 0.000 0.881 243 D CB 0.093 40.938 40.800 0.074 0.000 1.205 243 D HN 0.656 nan 8.370 nan 0.000 0.453 244 E N 0.659 120.880 120.200 0.036 0.000 2.130 244 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 244 E C 1.596 178.209 176.600 0.022 0.000 0.998 244 E CA 1.641 58.053 56.400 0.019 0.000 0.806 244 E CB 0.078 29.782 29.700 0.007 0.000 0.738 244 E HN 0.454 nan 8.360 nan 0.000 0.459 245 S N 0.629 116.347 115.700 0.030 0.000 2.400 245 S HA -0.164 4.306 4.470 -0.000 0.000 0.232 245 S C 1.274 175.898 174.600 0.039 0.000 1.025 245 S CA 0.369 58.588 58.200 0.030 0.000 0.993 245 S CB -0.502 62.718 63.200 0.034 0.000 0.808 245 S HN 0.333 nan 8.310 nan 0.000 0.478 246 L N 2.502 123.758 121.223 0.056 0.000 2.597 246 L HA 0.063 4.403 4.340 -0.000 0.000 0.271 246 L C 1.708 178.611 176.870 0.055 0.000 1.157 246 L CA 0.190 55.074 54.840 0.075 0.000 0.928 246 L CB 0.590 42.711 42.059 0.102 0.000 1.216 246 L HN 0.505 nan 8.230 nan 0.000 0.481 247 Q N 3.982 123.818 119.800 0.060 0.000 2.079 247 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 247 Q C -0.571 175.343 176.000 -0.144 0.000 0.974 247 Q CA 1.472 57.256 55.803 -0.031 0.000 0.840 247 Q CB 0.215 28.969 28.738 0.026 0.000 0.898 247 Q HN 0.591 nan 8.270 nan 0.000 0.430 248 Y N 0.997 121.312 120.300 0.025 0.000 2.328 248 Y HA 0.346 4.896 4.550 -0.000 0.000 0.333 248 Y C -1.984 173.926 175.900 0.017 0.000 0.958 248 Y CA -2.880 55.231 58.100 0.018 0.000 1.167 248 Y CB 1.289 39.751 38.460 0.002 0.000 1.151 248 Y HN 0.178 nan 8.280 nan 0.000 0.470 249 P HA 0.004 nan 4.420 nan 0.000 0.267 249 P C -0.985 176.322 177.300 0.011 0.000 1.201 249 P CA -0.191 62.926 63.100 0.028 0.000 0.775 249 P CB 0.913 32.566 31.700 -0.080 0.000 0.854 250 K N -0.160 120.228 120.400 -0.020 0.000 2.156 250 K HA 0.581 4.901 4.320 -0.000 0.000 0.250 250 K C -0.675 175.873 176.600 -0.086 0.000 0.955 250 K CA -0.813 55.459 56.287 -0.026 0.000 0.855 250 K CB 0.738 33.239 32.500 0.002 0.000 1.101 250 K HN 0.157 nan 8.250 nan 0.000 0.434 251 T N 1.833 116.322 114.554 -0.107 0.000 2.738 251 T HA 0.194 4.544 4.350 -0.000 0.000 0.298 251 T C -0.130 174.437 174.700 -0.220 0.000 0.962 251 T CA -0.712 61.287 62.100 -0.168 0.000 0.972 251 T CB 0.722 69.505 68.868 -0.140 0.000 0.928 251 T HN 0.355 nan 8.240 nan 0.000 0.474 252 V N 6.028 125.721 119.914 -0.369 0.000 2.614 252 V HA 0.425 4.545 4.120 -0.000 0.000 0.291 252 V C 0.600 176.413 176.094 -0.467 0.000 1.049 252 V CA -0.517 61.518 62.300 -0.441 0.000 1.038 252 V CB 0.289 31.723 31.823 -0.648 0.000 0.980 252 V HN 0.796 nan 8.190 nan 0.000 0.481 253 R N 4.019 124.372 120.500 -0.244 0.000 2.532 253 R HA 0.782 5.122 4.340 -0.000 0.000 0.297 253 R C -1.758 174.516 176.300 -0.043 0.000 0.984 253 R CA -0.603 55.390 56.100 -0.178 0.000 0.884 253 R CB 1.782 32.004 30.300 -0.129 0.000 1.182 253 R HN 0.486 nan 8.270 nan 0.000 0.442 254 V N 2.731 122.627 119.914 -0.030 0.000 2.656 254 V HA 0.551 4.671 4.120 -0.000 0.000 0.307 254 V C -2.705 173.430 176.094 0.069 0.000 1.051 254 V CA -2.463 59.893 62.300 0.093 0.000 0.893 254 V CB 2.465 34.378 31.823 0.150 0.000 0.999 254 V HN 0.672 nan 8.190 nan 0.000 0.426 255 P HA 0.276 nan 4.420 nan 0.000 0.271 255 P C -1.792 175.596 177.300 0.147 0.000 1.226 255 P CA 0.451 63.642 63.100 0.153 0.000 0.765 255 P CB -0.085 31.743 31.700 0.214 0.000 0.835 256 Y N 5.504 125.777 120.300 -0.045 0.000 2.287 256 Y HA 0.333 4.883 4.550 -0.000 0.000 0.321 256 Y C -2.849 173.020 175.900 -0.053 0.000 1.173 256 Y CA -2.594 55.426 58.100 -0.134 0.000 1.124 256 Y CB 1.693 39.962 38.460 -0.318 0.000 1.201 256 Y HN 0.282 nan 8.280 nan 0.000 0.421 257 P HA 0.305 nan 4.420 nan 0.000 0.291 257 P C -0.936 176.426 177.300 0.102 0.000 1.340 257 P CA -0.247 62.894 63.100 0.068 0.000 0.799 257 P CB 1.175 32.893 31.700 0.029 0.000 0.917 258 K N 1.934 122.482 120.400 0.247 0.000 2.120 258 K HA 0.523 4.843 4.320 -0.000 0.000 0.245 258 K C 0.592 177.299 176.600 0.178 0.000 1.024 258 K CA -0.745 55.699 56.287 0.263 0.000 0.906 258 K CB 0.498 33.163 32.500 0.274 0.000 1.051 258 K HN 0.431 nan 8.250 nan 0.000 0.491 259 A N 0.704 123.654 122.820 0.216 0.000 2.584 259 A HA 0.265 4.585 4.320 -0.000 0.000 0.239 259 A C 1.286 178.915 177.584 0.075 0.000 1.043 259 A CA 0.993 53.144 52.037 0.189 0.000 0.756 259 A CB -1.161 18.037 19.000 0.330 0.000 0.963 259 A HN 0.910 nan 8.150 nan 0.000 0.511 260 G N 0.954 109.784 108.800 0.050 0.000 2.245 260 G HA2 0.072 4.032 3.960 -0.000 0.000 0.264 260 G HA3 0.072 4.032 3.960 -0.000 0.000 0.264 260 G C 0.744 175.657 174.900 0.023 0.000 0.985 260 G CA 0.895 45.996 45.100 0.003 0.000 0.625 260 G HN 2.237 nan 8.290 nan 0.000 0.536 261 A N -0.184 122.666 122.820 0.050 0.000 2.280 261 A HA 0.717 5.037 4.320 -0.000 0.000 0.268 261 A C 0.886 178.502 177.584 0.054 0.000 1.111 261 A CA 0.347 52.416 52.037 0.055 0.000 0.814 261 A CB 0.634 19.680 19.000 0.077 0.000 1.093 261 A HN 1.205 nan 8.150 nan 0.000 0.498 262 V N 2.372 122.318 119.914 0.053 0.000 2.585 262 V HA 0.022 4.142 4.120 -0.000 0.000 0.296 262 V C 0.416 176.553 176.094 0.071 0.000 1.035 262 V CA -0.143 62.189 62.300 0.053 0.000 1.084 262 V CB -0.150 31.704 31.823 0.052 0.000 0.953 262 V HN 0.800 nan 8.190 nan 0.000 0.483 263 N N 5.643 124.384 118.700 0.067 0.000 2.495 263 N HA 0.451 5.191 4.740 -0.000 0.000 0.280 263 N C -2.343 173.247 175.510 0.133 0.000 1.168 263 N CA -1.522 51.589 53.050 0.101 0.000 0.978 263 N CB 1.051 39.589 38.487 0.085 0.000 1.191 263 N HN 0.400 nan 8.380 nan 0.000 0.497 264 P HA 0.045 nan 4.420 nan 0.000 0.269 264 P C -0.466 176.988 177.300 0.256 0.000 1.217 264 P CA 0.014 63.275 63.100 0.268 0.000 0.783 264 P CB 0.190 32.116 31.700 0.376 0.000 0.898 265 T N -2.037 112.660 114.554 0.238 0.000 2.918 265 T HA 0.582 4.932 4.350 -0.000 0.000 0.286 265 T C -0.376 174.475 174.700 0.252 0.000 1.026 265 T CA -0.895 61.309 62.100 0.174 0.000 1.031 265 T CB 1.624 70.557 68.868 0.109 0.000 1.046 265 T HN 0.330 nan 8.240 nan 0.000 0.479 266 V N 0.911 120.959 119.914 0.223 0.000 2.823 266 V HA 0.769 4.889 4.120 -0.000 0.000 0.312 266 V C -1.377 174.847 176.094 0.217 0.000 1.072 266 V CA -0.812 61.611 62.300 0.204 0.000 0.937 266 V CB 1.898 33.901 31.823 0.300 0.000 1.013 266 V HN 1.011 nan 8.190 nan 0.000 0.430 267 K N 4.607 125.089 120.400 0.138 0.000 2.435 267 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 267 K C -1.872 174.781 176.600 0.089 0.000 0.954 267 K CA -0.467 55.891 56.287 0.118 0.000 0.820 267 K CB 2.750 35.322 32.500 0.121 0.000 1.292 267 K HN 0.579 nan 8.250 nan 0.000 0.436 268 F N 1.940 121.741 119.950 -0.249 0.000 2.532 268 F HA 0.618 5.145 4.527 -0.000 0.000 0.321 268 F C -1.504 173.890 175.800 -0.677 0.000 1.089 268 F CA -0.666 57.161 58.000 -0.288 0.000 0.926 268 F CB 0.986 39.917 39.000 -0.115 0.000 1.168 268 F HN 0.410 nan 8.300 nan 0.000 0.459 269 F N 3.580 122.807 119.950 -1.204 0.000 2.613 269 F HA 0.708 5.235 4.527 -0.000 0.000 0.310 269 F C -1.151 173.927 175.800 -1.204 0.000 1.085 269 F CA -1.058 56.314 58.000 -1.047 0.000 0.945 269 F CB 2.295 40.565 39.000 -1.216 0.000 1.298 269 F HN 0.184 nan 8.300 nan 0.000 0.455 270 V N 2.751 122.389 119.914 -0.459 0.000 2.638 270 V HA 0.611 4.731 4.120 -0.000 0.000 0.306 270 V C -1.147 174.996 176.094 0.082 0.000 1.052 270 V CA -0.888 61.252 62.300 -0.266 0.000 0.885 270 V CB 1.821 33.379 31.823 -0.442 0.000 0.999 270 V HN 0.577 nan 8.190 nan 0.000 0.424 271 V N 3.944 123.974 119.914 0.194 0.000 2.555 271 V HA 0.498 4.618 4.120 -0.000 0.000 0.302 271 V C 0.001 176.293 176.094 0.330 0.000 1.038 271 V CA -0.570 61.880 62.300 0.250 0.000 0.887 271 V CB 1.844 33.779 31.823 0.187 0.000 0.991 271 V HN 1.004 nan 8.190 nan 0.000 0.434 272 N N 3.297 122.154 118.700 0.261 0.000 2.399 272 N HA 0.135 4.875 4.740 -0.000 0.000 0.259 272 N C 1.219 176.709 175.510 -0.034 0.000 1.160 272 N CA 0.454 53.533 53.050 0.049 0.000 0.946 272 N CB 0.968 39.466 38.487 0.018 0.000 1.156 272 N HN 0.891 nan 8.380 nan 0.000 0.489 273 T N -0.588 113.938 114.554 -0.047 0.000 3.160 273 T HA 0.016 4.366 4.350 -0.000 0.000 0.257 273 T C 0.629 175.267 174.700 -0.103 0.000 1.147 273 T CA 0.503 62.589 62.100 -0.024 0.000 1.064 273 T CB 0.147 69.114 68.868 0.164 0.000 0.949 273 T HN 0.339 nan 8.240 nan 0.000 0.526 274 D N 0.983 121.293 120.400 -0.150 0.000 2.367 274 D HA 0.165 4.805 4.640 -0.000 0.000 0.207 274 D C 1.122 177.354 176.300 -0.114 0.000 1.034 274 D CA 0.285 54.202 54.000 -0.139 0.000 0.861 274 D CB 0.296 40.998 40.800 -0.163 0.000 0.943 274 D HN 0.364 nan 8.370 nan 0.000 0.515 275 S N 0.540 116.177 115.700 -0.104 0.000 2.583 275 S HA 0.199 4.669 4.470 -0.000 0.000 0.239 275 S C 0.634 175.182 174.600 -0.086 0.000 0.966 275 S CA -0.409 57.753 58.200 -0.063 0.000 0.973 275 S CB 0.038 63.231 63.200 -0.011 0.000 0.794 275 S HN 0.277 nan 8.310 nan 0.000 0.463 276 L N -0.686 120.425 121.223 -0.187 0.000 2.334 276 L HA 0.826 5.166 4.340 -0.000 0.000 0.273 276 L C 0.311 176.991 176.870 -0.316 0.000 1.013 276 L CA -0.625 54.048 54.840 -0.279 0.000 0.816 276 L CB 1.975 43.772 42.059 -0.438 0.000 1.278 276 L HN 0.125 nan 8.230 nan 0.000 0.431 277 S N -0.981 114.671 115.700 -0.079 0.000 2.483 277 S HA 0.059 4.529 4.470 -0.000 0.000 0.280 277 S C 0.807 175.610 174.600 0.338 0.000 1.059 277 S CA 0.533 58.827 58.200 0.157 0.000 1.359 277 S CB 0.099 63.348 63.200 0.081 0.000 1.171 277 S HN 1.720 nan 8.310 nan 0.000 0.625 278 S N 0.765 116.663 115.700 0.330 0.000 1.811 278 S HA -0.328 4.142 4.470 -0.000 0.000 0.234 278 S C 1.234 175.925 174.600 0.151 0.000 0.947 278 S CA 1.114 59.473 58.200 0.265 0.000 1.485 278 S CB -2.239 61.082 63.200 0.201 0.000 1.892 278 S HN 1.076 nan 8.310 nan 0.000 0.542 279 V N 3.356 123.343 119.914 0.121 0.000 2.370 279 V HA -0.069 4.051 4.120 -0.000 0.000 0.252 279 V C 1.716 177.852 176.094 0.070 0.000 1.068 279 V CA 2.197 64.545 62.300 0.080 0.000 1.061 279 V CB -1.498 30.364 31.823 0.066 0.000 0.656 279 V HN 1.207 nan 8.190 nan 0.000 0.455 280 T N -2.226 112.375 114.554 0.079 0.000 2.912 280 T HA 0.414 4.764 4.350 -0.000 0.000 0.288 280 T C -0.443 174.314 174.700 0.095 0.000 1.030 280 T CA -0.857 61.282 62.100 0.066 0.000 1.020 280 T CB 1.576 70.474 68.868 0.050 0.000 1.056 280 T HN 0.083 nan 8.240 nan 0.000 0.480 281 N N 1.755 120.504 118.700 0.081 0.000 2.411 281 N HA 0.431 5.171 4.740 -0.000 0.000 0.259 281 N C 0.338 175.914 175.510 0.110 0.000 1.103 281 N CA -0.143 52.983 53.050 0.128 0.000 0.954 281 N CB 0.935 39.468 38.487 0.077 0.000 1.085 281 N HN 0.998 nan 8.380 nan 0.000 0.485 282 A N 2.684 125.575 122.820 0.120 0.000 2.608 282 A HA 0.037 4.357 4.320 -0.000 0.000 0.239 282 A C 0.384 178.023 177.584 0.091 0.000 1.018 282 A CA 0.427 52.509 52.037 0.076 0.000 0.766 282 A CB -0.262 18.763 19.000 0.041 0.000 0.928 282 A HN 0.566 nan 8.150 nan 0.000 0.512 283 T N 2.421 117.029 114.554 0.089 0.000 2.875 283 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 283 T C 0.067 174.850 174.700 0.138 0.000 0.995 283 T CA -0.333 61.831 62.100 0.107 0.000 1.060 283 T CB 1.313 70.247 68.868 0.110 0.000 0.967 283 T HN 0.548 nan 8.240 nan 0.000 0.476 284 S N 1.743 117.533 115.700 0.150 0.000 2.552 284 S HA 0.528 4.998 4.470 -0.000 0.000 0.314 284 S C -0.426 174.344 174.600 0.284 0.000 1.099 284 S CA -0.649 57.667 58.200 0.193 0.000 1.070 284 S CB 0.415 63.687 63.200 0.119 0.000 0.998 284 S HN 0.485 nan 8.310 nan 0.000 0.474 285 I N 3.082 123.819 120.570 0.278 0.000 2.342 285 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 285 I C 0.505 176.706 176.117 0.140 0.000 1.010 285 I CA -0.082 61.376 61.300 0.263 0.000 1.308 285 I CB 1.113 39.332 38.000 0.365 0.000 1.400 285 I HN 0.566 nan 8.210 nan 0.000 0.488 286 Q N 5.889 125.709 119.800 0.033 0.000 2.293 286 Q HA 0.540 4.880 4.340 -0.000 0.000 0.251 286 Q C -1.082 174.820 176.000 -0.163 0.000 0.930 286 Q CA -0.228 55.381 55.803 -0.323 0.000 0.893 286 Q CB 0.899 29.435 28.738 -0.335 0.000 1.215 286 Q HN 0.562 nan 8.270 nan 0.000 0.425 287 I N 4.139 124.594 120.570 -0.192 0.000 2.382 287 I HA 0.214 4.384 4.170 -0.000 0.000 0.285 287 I C 0.793 176.870 176.117 -0.066 0.000 1.007 287 I CA -0.556 60.720 61.300 -0.040 0.000 1.142 287 I CB 1.329 39.370 38.000 0.068 0.000 1.289 287 I HN 0.840 nan 8.210 nan 0.000 0.453 288 T N 3.487 117.963 114.554 -0.130 0.000 4.252 288 T HA 0.680 5.030 4.350 -0.000 0.000 0.227 288 T C 0.833 175.298 174.700 -0.390 0.000 0.805 288 T CA 0.346 62.313 62.100 -0.221 0.000 1.994 288 T CB 0.060 68.817 68.868 -0.185 0.000 2.236 288 T HN 1.081 nan 8.240 nan 0.000 0.337 289 A N 0.997 123.573 122.820 -0.408 0.000 5.100 289 A HA 0.107 4.427 4.320 -0.000 0.000 0.533 289 A C -2.721 174.354 177.584 -0.849 0.000 1.142 289 A CA -0.104 51.652 52.037 -0.468 0.000 0.463 289 A CB -2.467 16.354 19.000 -0.298 0.000 3.021 289 A HN 0.817 nan 8.150 nan 0.000 0.487 290 P HA 0.625 nan 4.420 nan 0.000 0.306 290 P C 1.077 178.185 177.300 -0.320 0.000 1.309 290 P CA 0.585 63.467 63.100 -0.364 0.000 0.759 290 P CB 0.616 32.170 31.700 -0.242 0.000 1.314 291 A N 0.075 122.769 122.820 -0.210 0.000 1.930 291 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 291 A C 2.041 179.517 177.584 -0.181 0.000 1.175 291 A CA 2.296 54.227 52.037 -0.177 0.000 0.627 291 A CB -1.958 16.968 19.000 -0.122 0.000 0.815 291 A HN 0.594 nan 8.150 nan 0.000 0.443 292 S N -1.938 113.665 115.700 -0.162 0.000 2.515 292 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 292 S C 1.631 176.109 174.600 -0.205 0.000 0.987 292 S CA 1.428 59.522 58.200 -0.177 0.000 0.936 292 S CB -0.172 62.945 63.200 -0.139 0.000 0.766 292 S HN 0.302 nan 8.310 nan 0.000 0.528 293 M N 1.417 120.870 119.600 -0.245 0.000 2.412 293 M HA 0.458 4.938 4.480 -0.000 0.000 0.263 293 M C 1.701 177.761 176.300 -0.400 0.000 1.122 293 M CA 0.933 56.041 55.300 -0.321 0.000 1.179 293 M CB -0.792 31.509 32.600 -0.497 0.000 1.335 293 M HN 0.257 nan 8.290 nan 0.000 0.465 294 L N 0.303 121.275 121.223 -0.418 0.000 2.353 294 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 294 L C 1.904 178.708 176.870 -0.109 0.000 1.133 294 L CA 0.600 55.271 54.840 -0.281 0.000 0.798 294 L CB -0.912 40.996 42.059 -0.252 0.000 0.922 294 L HN 0.371 nan 8.230 nan 0.000 0.445 295 I N -2.671 117.830 120.570 -0.115 0.000 3.241 295 I HA 0.172 4.342 4.170 -0.000 0.000 0.280 295 I C 0.954 177.048 176.117 -0.039 0.000 1.320 295 I CA 0.434 61.689 61.300 -0.076 0.000 1.413 295 I CB -0.595 37.347 38.000 -0.096 0.000 1.060 295 I HN 0.051 nan 8.210 nan 0.000 0.500 296 G N -0.367 108.433 108.800 -0.000 0.000 2.548 296 G HA2 0.240 4.200 3.960 -0.000 0.000 0.301 296 G HA3 0.240 4.200 3.960 -0.000 0.000 0.301 296 G C -1.881 173.072 174.900 0.088 0.000 1.349 296 G CA -0.748 44.364 45.100 0.020 0.000 0.792 296 G HN -0.001 nan 8.290 nan 0.000 0.481 297 D N 1.409 121.806 120.400 -0.004 0.000 2.458 297 D HA 0.385 5.025 4.640 -0.000 0.000 0.243 297 D C 0.487 176.705 176.300 -0.136 0.000 1.146 297 D CA 0.818 54.750 54.000 -0.114 0.000 0.877 297 D CB 0.332 41.041 40.800 -0.153 0.000 1.176 297 D HN 0.550 nan 8.370 nan 0.000 0.461 298 H N -0.431 118.487 119.070 -0.254 0.000 2.966 298 H HA 0.476 5.032 4.556 -0.000 0.000 0.330 298 H C -1.307 173.856 175.328 -0.275 0.000 1.292 298 H CA -0.820 55.090 56.048 -0.230 0.000 1.127 298 H CB 0.462 30.231 29.762 0.011 0.000 1.863 298 H HN 0.280 nan 8.280 nan 0.000 0.543 299 Y N -0.137 120.403 120.300 0.400 0.000 2.576 299 Y HA 0.407 4.957 4.550 -0.000 0.000 0.346 299 Y C -0.472 175.696 175.900 0.446 0.000 1.018 299 Y CA -1.175 57.155 58.100 0.384 0.000 1.050 299 Y CB 1.982 40.520 38.460 0.130 0.000 1.280 299 Y HN 0.473 nan 8.280 nan 0.000 0.474 300 L N 2.772 124.308 121.223 0.521 0.000 2.255 300 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 300 L C 0.345 177.226 176.870 0.017 0.000 1.046 300 L CA -0.260 54.532 54.840 -0.081 0.000 0.816 300 L CB 0.326 42.239 42.059 -0.244 0.000 1.197 300 L HN 0.989 nan 8.230 nan 0.000 0.427 301 C N 1.235 120.408 119.300 -0.211 0.000 3.230 301 C HA 0.490 4.950 4.460 -0.000 0.000 0.300 301 C C 0.274 175.039 174.990 -0.375 0.000 1.292 301 C CA -0.381 58.426 59.018 -0.350 0.000 1.707 301 C CB -0.530 27.092 27.740 -0.196 0.000 2.181 301 C HN 0.828 nan 8.230 nan 0.000 0.655 302 D N 0.649 120.874 120.400 -0.292 0.000 2.803 302 D HA 0.406 5.046 4.640 -0.000 0.000 0.218 302 D C -1.550 174.493 176.300 -0.428 0.000 1.245 302 D CA 0.106 53.976 54.000 -0.216 0.000 0.821 302 D CB 2.777 43.461 40.800 -0.194 0.000 1.626 302 D HN 0.435 nan 8.370 nan 0.000 0.487 303 V N 0.741 120.347 119.914 -0.514 0.000 2.525 303 V HA 0.800 4.920 4.120 -0.000 0.000 0.299 303 V C -1.170 174.577 176.094 -0.578 0.000 1.034 303 V CA -0.176 61.639 62.300 -0.809 0.000 0.863 303 V CB 1.541 32.540 31.823 -1.373 0.000 0.999 303 V HN 0.530 nan 8.190 nan 0.000 0.423 304 T N 5.183 119.487 114.554 -0.417 0.000 2.881 304 T HA 0.435 4.785 4.350 -0.000 0.000 0.291 304 T C -0.841 173.785 174.700 -0.123 0.000 0.990 304 T CA -0.110 61.898 62.100 -0.153 0.000 0.976 304 T CB 0.941 69.800 68.868 -0.016 0.000 0.970 304 T HN 0.798 nan 8.240 nan 0.000 0.438 305 W N 2.437 123.739 121.300 0.002 0.000 2.308 305 W HA 0.418 5.078 4.660 -0.000 0.000 0.324 305 W C 1.247 177.723 176.519 -0.071 0.000 1.387 305 W CA -0.418 56.919 57.345 -0.014 0.000 1.250 305 W CB 0.424 29.939 29.460 0.091 0.000 1.257 305 W HN 0.915 nan 8.180 nan 0.000 0.554 306 A N 2.750 125.484 122.820 -0.143 0.000 1.843 306 A HA 0.087 4.407 4.320 -0.000 0.000 0.213 306 A C 1.058 178.607 177.584 -0.057 0.000 1.239 306 A CA 1.708 53.375 52.037 -0.616 0.000 0.606 306 A CB -0.639 17.524 19.000 -1.396 0.000 0.903 306 A HN 0.518 nan 8.150 nan 0.000 0.455 307 T N -5.008 109.587 114.554 0.068 0.000 2.864 307 T HA 0.384 4.734 4.350 -0.000 0.000 0.289 307 T C 0.313 175.157 174.700 0.239 0.000 1.082 307 T CA -0.410 61.779 62.100 0.149 0.000 1.009 307 T CB 1.112 70.048 68.868 0.112 0.000 1.234 307 T HN 0.185 nan 8.240 nan 0.000 0.526 308 Q N 0.422 120.323 119.800 0.168 0.000 2.389 308 Q HA -0.139 4.201 4.340 -0.000 0.000 0.213 308 Q C 0.695 176.889 176.000 0.324 0.000 0.989 308 Q CA 1.665 57.564 55.803 0.161 0.000 0.891 308 Q CB -0.153 28.667 28.738 0.138 0.000 0.923 308 Q HN 0.851 nan 8.270 nan 0.000 0.455 309 E N -0.494 119.919 120.200 0.356 0.000 2.846 309 E HA 0.226 4.576 4.350 -0.000 0.000 0.211 309 E C -0.146 176.715 176.600 0.435 0.000 0.975 309 E CA -0.176 56.450 56.400 0.377 0.000 1.211 309 E CB 1.092 30.935 29.700 0.238 0.000 1.052 309 E HN -0.008 nan 8.360 nan 0.000 0.487 310 R N 1.603 122.391 120.500 0.481 0.000 2.514 310 R HA 0.533 4.873 4.340 -0.000 0.000 0.296 310 R C -1.696 174.711 176.300 0.178 0.000 1.012 310 R CA -0.431 55.846 56.100 0.295 0.000 0.897 310 R CB 1.554 31.892 30.300 0.064 0.000 1.184 310 R HN 0.065 nan 8.270 nan 0.000 0.440 311 I N 2.793 123.310 120.570 -0.090 0.000 2.608 311 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 311 I C -0.827 175.036 176.117 -0.423 0.000 1.049 311 I CA -0.461 60.515 61.300 -0.540 0.000 1.063 311 I CB 2.202 39.426 38.000 -1.293 0.000 1.248 311 I HN 0.749 nan 8.210 nan 0.000 0.424 312 S N 7.835 123.284 115.700 -0.418 0.000 2.454 312 S HA 0.729 5.199 4.470 -0.000 0.000 0.306 312 S C -1.145 173.188 174.600 -0.446 0.000 1.100 312 S CA -0.784 57.234 58.200 -0.303 0.000 1.087 312 S CB 1.570 64.715 63.200 -0.091 0.000 1.019 312 S HN 0.395 nan 8.310 nan 0.000 0.480 313 L N 2.544 123.512 121.223 -0.426 0.000 2.365 313 L HA 0.556 4.896 4.340 -0.000 0.000 0.273 313 L C -0.079 176.544 176.870 -0.411 0.000 1.000 313 L CA -0.440 54.041 54.840 -0.598 0.000 0.819 313 L CB 1.322 42.926 42.059 -0.757 0.000 1.284 313 L HN 0.841 nan 8.230 nan 0.000 0.418 314 Q N 1.710 121.221 119.800 -0.482 0.000 2.282 314 Q HA 0.517 4.857 4.340 -0.000 0.000 0.260 314 Q C -1.556 174.216 176.000 -0.379 0.000 0.964 314 Q CA -0.384 55.251 55.803 -0.280 0.000 0.880 314 Q CB 2.244 30.864 28.738 -0.198 0.000 1.286 314 Q HN 0.471 nan 8.270 nan 0.000 0.445 315 W N 2.408 123.673 121.300 -0.057 0.000 2.819 315 W HA 0.588 5.248 4.660 -0.000 0.000 0.337 315 W C -1.119 175.447 176.519 0.079 0.000 1.077 315 W CA -0.669 56.688 57.345 0.021 0.000 1.226 315 W CB 1.305 30.751 29.460 -0.023 0.000 1.419 315 W HN 0.389 nan 8.180 nan 0.000 0.502 316 L N 3.261 124.722 121.223 0.396 0.000 2.409 316 L HA 0.574 4.914 4.340 -0.000 0.000 0.272 316 L C 0.027 177.100 176.870 0.339 0.000 0.980 316 L CA -1.045 53.991 54.840 0.327 0.000 0.826 316 L CB 1.156 43.375 42.059 0.267 0.000 1.268 316 L HN 0.417 nan 8.230 nan 0.000 0.407 317 R N 2.409 123.064 120.500 0.258 0.000 2.811 317 R HA 0.086 4.426 4.340 -0.000 0.000 0.265 317 R C 1.116 177.484 176.300 0.114 0.000 1.026 317 R CA 0.309 56.501 56.100 0.153 0.000 1.142 317 R CB 0.435 30.799 30.300 0.105 0.000 1.027 317 R HN 0.689 nan 8.270 nan 0.000 0.465 318 R N 1.566 122.044 120.500 -0.036 0.000 2.091 318 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 318 R C 0.451 176.813 176.300 0.103 0.000 1.136 318 R CA 1.213 57.295 56.100 -0.031 0.000 0.959 318 R CB 0.082 30.313 30.300 -0.115 0.000 0.856 318 R HN 0.403 nan 8.270 nan 0.000 0.437 319 I N 3.104 123.712 120.570 0.065 0.000 2.471 319 I HA -0.052 4.118 4.170 -0.000 0.000 0.294 319 I C 0.294 176.473 176.117 0.104 0.000 1.123 319 I CA 0.766 62.107 61.300 0.068 0.000 1.336 319 I CB 0.624 38.651 38.000 0.046 0.000 1.430 319 I HN 0.388 nan 8.210 nan 0.000 0.533 320 Q N 3.983 123.840 119.800 0.095 0.000 2.283 320 Q HA 0.017 4.357 4.340 -0.000 0.000 0.223 320 Q C 1.014 177.086 176.000 0.121 0.000 0.918 320 Q CA -0.113 55.759 55.803 0.115 0.000 0.952 320 Q CB 0.012 28.779 28.738 0.049 0.000 1.030 320 Q HN 0.507 nan 8.270 nan 0.000 0.452 321 N N -0.059 118.712 118.700 0.120 0.000 2.270 321 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 321 N C -0.630 174.973 175.510 0.155 0.000 1.016 321 N CA 0.991 54.109 53.050 0.114 0.000 0.870 321 N CB 0.260 38.821 38.487 0.123 0.000 0.979 321 N HN 0.285 nan 8.380 nan 0.000 0.431 322 Y N 0.046 120.373 120.300 0.044 0.000 2.373 322 Y HA 0.410 4.960 4.550 -0.000 0.000 0.336 322 Y C -0.602 175.337 175.900 0.065 0.000 0.979 322 Y CA -1.153 56.974 58.100 0.044 0.000 1.080 322 Y CB 1.297 39.777 38.460 0.033 0.000 1.190 322 Y HN -0.114 nan 8.280 nan 0.000 0.446 323 S N 4.274 119.959 115.700 -0.025 0.000 2.599 323 S HA 0.917 5.387 4.470 -0.000 0.000 0.287 323 S C -2.034 172.550 174.600 -0.026 0.000 1.105 323 S CA -0.673 57.563 58.200 0.060 0.000 0.899 323 S CB 1.886 65.115 63.200 0.048 0.000 1.100 323 S HN 0.459 nan 8.310 nan 0.000 0.482 324 V N 2.990 122.960 119.914 0.094 0.000 2.686 324 V HA 0.486 4.606 4.120 -0.000 0.000 0.306 324 V C -0.530 175.620 176.094 0.093 0.000 1.065 324 V CA -0.633 61.714 62.300 0.079 0.000 0.894 324 V CB 1.924 33.822 31.823 0.126 0.000 1.004 324 V HN 1.037 nan 8.190 nan 0.000 0.424 325 M N 3.528 123.148 119.600 0.034 0.000 2.188 325 M HA 0.474 4.954 4.480 -0.000 0.000 0.357 325 M C -1.109 175.196 176.300 0.008 0.000 1.204 325 M CA -0.215 55.082 55.300 -0.004 0.000 1.095 325 M CB 0.964 33.531 32.600 -0.055 0.000 1.604 325 M HN 0.625 nan 8.290 nan 0.000 0.464 326 D N 4.530 124.939 120.400 0.016 0.000 2.185 326 D HA 0.566 5.206 4.640 -0.000 0.000 0.247 326 D C -1.118 175.148 176.300 -0.056 0.000 1.027 326 D CA -0.019 53.974 54.000 -0.011 0.000 0.861 326 D CB 1.578 42.397 40.800 0.031 0.000 1.202 326 D HN 0.504 nan 8.370 nan 0.000 0.453 327 I N 2.216 122.763 120.570 -0.038 0.000 2.439 327 I HA 0.337 4.507 4.170 -0.000 0.000 0.285 327 I C -0.771 175.345 176.117 -0.002 0.000 1.021 327 I CA -0.519 60.761 61.300 -0.034 0.000 1.091 327 I CB 1.318 39.334 38.000 0.027 0.000 1.242 327 I HN 0.238 nan 8.210 nan 0.000 0.439 328 c N 3.789 122.396 118.600 0.012 0.000 2.507 328 c HA 0.580 5.150 4.570 -0.000 0.000 0.319 328 c C -0.577 173.685 174.090 0.286 0.000 1.208 328 c CA -0.824 55.585 56.329 0.134 0.000 1.619 328 c CB 1.508 44.101 42.510 0.139 0.000 2.230 328 c HN 0.586 nan 8.230 nan 0.000 0.492 329 D N 0.467 121.022 120.400 0.258 0.000 2.362 329 D HA 0.250 4.890 4.640 -0.000 0.000 0.247 329 D C -0.818 175.423 176.300 -0.099 0.000 1.050 329 D CA -0.214 53.877 54.000 0.151 0.000 0.839 329 D CB 1.611 42.435 40.800 0.039 0.000 1.283 329 D HN 0.578 nan 8.370 nan 0.000 0.477 330 Y N 1.657 121.520 120.300 -0.729 0.000 2.497 330 Y HA 0.082 4.632 4.550 -0.000 0.000 0.334 330 Y C 0.078 175.669 175.900 -0.514 0.000 1.199 330 Y CA 0.219 57.593 58.100 -1.211 0.000 1.425 330 Y CB 0.566 38.248 38.460 -1.296 0.000 1.291 330 Y HN 0.164 nan 8.280 nan 0.000 0.562 331 D N 5.030 124.775 120.400 -1.092 0.000 2.414 331 D HA 0.108 4.748 4.640 -0.000 0.000 0.232 331 D C 0.592 176.313 176.300 -0.965 0.000 1.070 331 D CA -0.198 53.358 54.000 -0.740 0.000 0.839 331 D CB 1.232 41.777 40.800 -0.424 0.000 1.079 331 D HN 0.837 nan 8.370 nan 0.000 0.521 332 E N 1.470 121.288 120.200 -0.637 0.000 2.033 332 E HA -0.119 4.231 4.350 -0.000 0.000 0.199 332 E C 0.341 176.779 176.600 -0.271 0.000 1.011 332 E CA 1.104 57.263 56.400 -0.402 0.000 0.815 332 E CB 0.187 29.780 29.700 -0.178 0.000 0.755 332 E HN 0.186 nan 8.360 nan 0.000 0.451 333 S N -0.139 115.438 115.700 -0.204 0.000 4.139 333 S HA 0.226 4.696 4.470 -0.000 0.000 0.215 333 S C -0.246 174.269 174.600 -0.141 0.000 1.390 333 S CA -0.089 58.032 58.200 -0.131 0.000 0.885 333 S CB 0.409 63.554 63.200 -0.092 0.000 1.560 333 S HN 0.140 nan 8.310 nan 0.000 0.449 334 S N 0.120 115.729 115.700 -0.153 0.000 5.984 334 S HA 0.333 4.803 4.470 -0.000 0.000 0.117 334 S C 1.246 175.810 174.600 -0.060 0.000 1.161 334 S CA 0.156 58.288 58.200 -0.114 0.000 1.393 334 S CB -0.467 62.636 63.200 -0.161 0.000 1.908 334 S HN 0.766 nan 8.310 nan 0.000 0.533 335 G N 1.797 110.536 108.800 -0.101 0.000 2.258 335 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.233 335 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.233 335 G C -0.031 175.006 174.900 0.228 0.000 1.006 335 G CA 0.463 45.636 45.100 0.121 0.000 0.620 335 G HN 0.714 nan 8.290 nan 0.000 0.511 336 R N -0.930 119.602 120.500 0.053 0.000 2.602 336 R HA 0.783 5.123 4.340 -0.000 0.000 0.237 336 R C -0.741 175.567 176.300 0.014 0.000 1.219 336 R CA -0.897 55.286 56.100 0.138 0.000 1.121 336 R CB 0.253 30.627 30.300 0.123 0.000 1.408 336 R HN 0.206 nan 8.270 nan 0.000 0.559 337 W N -0.564 120.793 121.300 0.095 0.000 2.632 337 W HA 0.471 5.131 4.660 -0.000 0.000 0.328 337 W C -0.897 175.628 176.519 0.009 0.000 1.044 337 W CA -0.497 56.889 57.345 0.068 0.000 1.225 337 W CB 1.612 31.099 29.460 0.045 0.000 1.396 337 W HN 0.502 nan 8.180 nan 0.000 0.499 338 N N 2.109 120.917 118.700 0.180 0.000 2.443 338 N HA 0.471 5.211 4.740 -0.000 0.000 0.269 338 N C -1.506 174.058 175.510 0.090 0.000 0.985 338 N CA -0.558 52.544 53.050 0.086 0.000 0.921 338 N CB 0.931 39.427 38.487 0.014 0.000 1.195 338 N HN 0.184 nan 8.380 nan 0.000 0.492 339 c N 3.074 121.707 118.600 0.055 0.000 2.239 339 c HA 0.402 4.972 4.570 -0.000 0.000 0.323 339 c C 0.387 174.472 174.090 -0.009 0.000 1.205 339 c CA -1.155 55.186 56.329 0.020 0.000 1.584 339 c CB -1.300 41.207 42.510 -0.005 0.000 2.201 339 c HN 0.613 nan 8.230 nan 0.000 0.475 340 L N 3.348 124.564 121.223 -0.010 0.000 2.367 340 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 340 L C 0.741 177.585 176.870 -0.043 0.000 1.129 340 L CA 0.323 55.149 54.840 -0.024 0.000 0.839 340 L CB 0.536 42.585 42.059 -0.017 0.000 1.133 340 L HN 0.600 nan 8.230 nan 0.000 0.453 341 V N 5.272 125.157 119.914 -0.047 0.000 3.287 341 V HA 0.222 4.342 4.120 -0.000 0.000 0.306 341 V C 1.285 177.346 176.094 -0.055 0.000 1.103 341 V CA 0.751 63.017 62.300 -0.056 0.000 1.159 341 V CB 0.999 32.792 31.823 -0.050 0.000 1.036 341 V HN 1.109 nan 8.190 nan 0.000 0.487 342 A N 3.549 126.330 122.820 -0.066 0.000 3.661 342 A HA -0.281 4.039 4.320 -0.000 0.000 0.269 342 A C 1.649 179.179 177.584 -0.090 0.000 1.056 342 A CA 1.876 53.875 52.037 -0.064 0.000 1.159 342 A CB -1.840 17.138 19.000 -0.037 0.000 1.105 342 A HN 0.955 nan 8.150 nan 0.000 0.907 343 R N -0.163 120.271 120.500 -0.109 0.000 2.437 343 R HA 0.149 4.489 4.340 -0.000 0.000 0.257 343 R C 0.692 176.819 176.300 -0.288 0.000 0.927 343 R CA 0.679 56.699 56.100 -0.133 0.000 1.078 343 R CB 0.208 30.484 30.300 -0.041 0.000 1.161 343 R HN 0.881 nan 8.270 nan 0.000 0.529 344 Q N -0.405 119.222 119.800 -0.288 0.000 2.222 344 Q HA 0.229 4.569 4.340 -0.000 0.000 0.252 344 Q C -1.229 174.520 176.000 -0.419 0.000 0.926 344 Q CA -0.515 55.120 55.803 -0.281 0.000 0.899 344 Q CB 1.437 30.105 28.738 -0.116 0.000 1.250 344 Q HN 0.165 nan 8.270 nan 0.000 0.441 345 H N 1.173 120.253 119.070 0.018 0.000 2.489 345 H HA 0.458 5.014 4.556 -0.000 0.000 0.343 345 H C -0.877 174.434 175.328 -0.027 0.000 1.086 345 H CA -0.662 55.401 56.048 0.025 0.000 1.198 345 H CB 1.571 31.353 29.762 0.032 0.000 1.490 345 H HN 0.528 nan 8.280 nan 0.000 0.504 346 I N 2.443 123.056 120.570 0.072 0.000 2.315 346 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 346 I C 0.055 176.119 176.117 -0.089 0.000 1.006 346 I CA -0.028 61.212 61.300 -0.100 0.000 1.265 346 I CB 0.945 38.829 38.000 -0.194 0.000 1.387 346 I HN 0.572 nan 8.210 nan 0.000 0.475 347 E N 8.767 128.885 120.200 -0.137 0.000 2.129 347 E HA 0.578 4.928 4.350 -0.000 0.000 0.268 347 E C -1.001 175.500 176.600 -0.164 0.000 0.900 347 E CA -0.705 55.641 56.400 -0.090 0.000 0.755 347 E CB 1.222 30.906 29.700 -0.027 0.000 1.117 347 E HN 0.620 nan 8.360 nan 0.000 0.410 348 M N 1.351 120.869 119.600 -0.136 0.000 2.631 348 M HA 0.605 5.085 4.480 -0.000 0.000 0.288 348 M C -1.159 175.115 176.300 -0.043 0.000 1.260 348 M CA -0.897 54.336 55.300 -0.112 0.000 0.842 348 M CB 2.350 34.853 32.600 -0.163 0.000 1.743 348 M HN 0.217 nan 8.290 nan 0.000 0.461 349 S N -0.358 115.327 115.700 -0.026 0.000 2.538 349 S HA 0.556 5.026 4.470 -0.000 0.000 0.288 349 S C 0.255 174.838 174.600 -0.028 0.000 1.108 349 S CA 0.034 58.212 58.200 -0.037 0.000 0.971 349 S CB 1.708 64.856 63.200 -0.087 0.000 1.041 349 S HN 0.945 nan 8.310 nan 0.000 0.483 350 T N 0.112 114.654 114.554 -0.020 0.000 3.060 350 T HA 0.091 4.441 4.350 -0.000 0.000 0.249 350 T C 1.323 176.008 174.700 -0.026 0.000 1.079 350 T CA 0.837 62.930 62.100 -0.011 0.000 1.013 350 T CB -0.313 68.556 68.868 0.001 0.000 0.975 350 T HN 0.672 nan 8.240 nan 0.000 0.518 351 T N -2.502 112.027 114.554 -0.042 0.000 2.990 351 T HA 0.620 4.970 4.350 -0.000 0.000 0.250 351 T C 1.096 175.665 174.700 -0.219 0.000 1.041 351 T CA 0.299 62.384 62.100 -0.026 0.000 1.010 351 T CB 0.568 69.501 68.868 0.110 0.000 1.003 351 T HN 0.597 nan 8.240 nan 0.000 0.499 352 G N 0.374 108.856 108.800 -0.530 0.000 2.635 352 G HA2 0.488 4.448 3.960 -0.000 0.000 0.194 352 G HA3 0.488 4.448 3.960 -0.000 0.000 0.194 352 G C -1.541 173.079 174.900 -0.466 0.000 1.198 352 G CA -0.596 43.967 45.100 -0.895 0.000 0.972 352 G HN 0.463 nan 8.290 nan 0.000 0.520 353 W N -0.244 120.764 121.300 -0.486 0.000 2.030 353 W HA 0.726 5.386 4.660 -0.000 0.000 0.412 353 W C -0.435 176.009 176.519 -0.125 0.000 1.715 353 W CA -1.167 56.032 57.345 -0.245 0.000 1.895 353 W CB 0.448 29.743 29.460 -0.275 0.000 1.381 353 W HN 0.264 nan 8.180 nan 0.000 0.717 354 V N 2.740 122.724 119.914 0.117 0.000 2.370 354 V HA 0.731 4.851 4.120 -0.000 0.000 0.283 354 V C 0.669 176.829 176.094 0.109 0.000 1.023 354 V CA 0.177 62.498 62.300 0.035 0.000 0.857 354 V CB -0.022 31.826 31.823 0.042 0.000 0.985 354 V HN 1.311 nan 8.190 nan 0.000 0.443 355 G N 5.199 114.012 108.800 0.023 0.000 2.757 355 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.638 355 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.638 355 G C 0.291 175.258 174.900 0.111 0.000 1.344 355 G CA 0.086 45.229 45.100 0.072 0.000 0.855 355 G HN 0.596 nan 8.290 nan 0.000 0.537 356 R N -0.979 119.582 120.500 0.103 0.000 2.057 356 R HA 0.179 4.519 4.340 -0.000 0.000 0.229 356 R C 2.069 178.285 176.300 -0.139 0.000 1.136 356 R CA 2.130 58.231 56.100 0.002 0.000 0.952 356 R CB -0.093 30.218 30.300 0.018 0.000 0.848 356 R HN 0.471 nan 8.270 nan 0.000 0.430 357 F N -0.810 119.287 119.950 0.245 0.000 2.640 357 F HA 0.234 4.761 4.527 -0.000 0.000 0.285 357 F C 0.765 176.603 175.800 0.064 0.000 1.031 357 F CA -0.340 57.752 58.000 0.154 0.000 1.240 357 F CB 0.559 39.639 39.000 0.133 0.000 1.011 357 F HN -0.152 nan 8.300 nan 0.000 0.656 358 R N 0.058 120.697 120.500 0.231 0.000 2.799 358 R HA 0.506 4.846 4.340 -0.000 0.000 0.270 358 R C -3.246 173.109 176.300 0.092 0.000 1.010 358 R CA -1.992 54.164 56.100 0.093 0.000 0.916 358 R CB 0.480 30.777 30.300 -0.005 0.000 1.228 358 R HN -0.294 nan 8.270 nan 0.000 0.469 359 P HA -0.088 nan 4.420 nan 0.000 0.263 359 P C -0.059 177.260 177.300 0.032 0.000 1.175 359 P CA 0.361 63.480 63.100 0.031 0.000 0.761 359 P CB 0.552 32.249 31.700 -0.005 0.000 0.794 360 S N 1.910 117.641 115.700 0.052 0.000 2.589 360 S HA 0.116 4.586 4.470 -0.000 0.000 0.265 360 S C 0.178 174.795 174.600 0.027 0.000 1.342 360 S CA -0.626 57.618 58.200 0.073 0.000 1.005 360 S CB 0.396 63.658 63.200 0.103 0.000 0.909 360 S HN 0.544 nan 8.310 nan 0.000 0.555 361 E N 1.549 121.777 120.200 0.047 0.000 2.266 361 E HA 0.431 4.781 4.350 -0.000 0.000 0.277 361 E C -2.815 173.764 176.600 -0.035 0.000 1.018 361 E CA -2.276 54.106 56.400 -0.030 0.000 0.840 361 E CB 0.804 30.489 29.700 -0.024 0.000 1.082 361 E HN 0.472 nan 8.360 nan 0.000 0.395 362 P HA 0.244 nan 4.420 nan 0.000 0.279 362 P C -0.754 176.380 177.300 -0.278 0.000 1.252 362 P CA -0.325 62.637 63.100 -0.230 0.000 0.811 362 P CB 0.773 32.013 31.700 -0.767 0.000 1.035 363 H N 1.260 120.293 119.070 -0.062 0.000 2.887 363 H HA 0.286 4.842 4.556 -0.000 0.000 0.300 363 H C -0.375 175.030 175.328 0.129 0.000 1.038 363 H CA -0.342 55.760 56.048 0.090 0.000 1.352 363 H CB 0.203 30.071 29.762 0.176 0.000 1.473 363 H HN 0.304 nan 8.280 nan 0.000 0.503 364 F N 2.079 122.224 119.950 0.324 0.000 2.429 364 F HA 0.036 4.563 4.527 -0.000 0.000 0.348 364 F C 1.480 177.474 175.800 0.324 0.000 1.109 364 F CA -0.434 57.760 58.000 0.323 0.000 1.232 364 F CB 0.859 39.990 39.000 0.218 0.000 1.157 364 F HN 0.341 nan 8.300 nan 0.000 0.564 365 T N 1.813 116.675 114.554 0.513 0.000 2.926 365 T HA 0.064 4.414 4.350 -0.000 0.000 0.307 365 T C 1.204 176.103 174.700 0.332 0.000 1.059 365 T CA -0.813 61.523 62.100 0.394 0.000 1.122 365 T CB 0.832 69.914 68.868 0.357 0.000 0.972 365 T HN 0.638 nan 8.240 nan 0.000 0.545 366 L N 1.794 123.168 121.223 0.251 0.000 2.026 366 L HA -0.268 4.072 4.340 -0.000 0.000 0.231 366 L C 2.299 179.277 176.870 0.179 0.000 1.095 366 L CA 2.693 57.652 54.840 0.199 0.000 0.810 366 L CB -0.906 41.245 42.059 0.153 0.000 0.909 366 L HN 0.955 nan 8.230 nan 0.000 0.444 367 D N -1.111 119.389 120.400 0.167 0.000 2.384 367 D HA -0.033 4.607 4.640 -0.000 0.000 0.222 367 D C 1.639 178.025 176.300 0.145 0.000 0.976 367 D CA 0.924 55.008 54.000 0.140 0.000 0.915 367 D CB -0.767 40.108 40.800 0.125 0.000 0.896 367 D HN 0.643 nan 8.370 nan 0.000 0.523 368 G N 0.657 109.573 108.800 0.194 0.000 2.166 368 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.260 368 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.260 368 G C 0.813 175.844 174.900 0.219 0.000 0.986 368 G CA 0.583 45.783 45.100 0.166 0.000 0.683 368 G HN 0.495 nan 8.290 nan 0.000 0.527 369 N N -0.074 118.763 118.700 0.228 0.000 2.416 369 N HA 0.256 4.996 4.740 -0.000 0.000 0.177 369 N C 1.085 176.734 175.510 0.231 0.000 1.036 369 N CA 0.980 54.150 53.050 0.199 0.000 0.901 369 N CB 0.260 38.828 38.487 0.135 0.000 0.976 369 N HN 0.685 nan 8.380 nan 0.000 0.444 370 S N -0.178 115.690 115.700 0.281 0.000 2.599 370 S HA 0.716 5.186 4.470 -0.000 0.000 0.287 370 S C -0.932 173.847 174.600 0.297 0.000 1.105 370 S CA -1.081 57.201 58.200 0.138 0.000 0.899 370 S CB 1.430 64.635 63.200 0.008 0.000 1.100 370 S HN 0.196 nan 8.310 nan 0.000 0.482 371 F N -1.378 118.502 119.950 -0.116 0.000 2.613 371 F HA 0.791 5.318 4.527 -0.000 0.000 0.310 371 F C -2.101 173.569 175.800 -0.217 0.000 1.085 371 F CA -1.552 56.296 58.000 -0.253 0.000 0.945 371 F CB 0.870 39.360 39.000 -0.851 0.000 1.298 371 F HN 0.568 nan 8.300 nan 0.000 0.455 372 Y N 1.680 122.126 120.300 0.243 0.000 2.328 372 Y HA 0.584 5.134 4.550 -0.000 0.000 0.337 372 Y C -0.581 175.465 175.900 0.243 0.000 0.966 372 Y CA -0.728 57.494 58.100 0.204 0.000 1.136 372 Y CB 1.907 40.442 38.460 0.126 0.000 1.170 372 Y HN 0.675 nan 8.280 nan 0.000 0.470 373 K N 1.994 122.614 120.400 0.368 0.000 2.498 373 K HA 0.622 4.942 4.320 -0.000 0.000 0.254 373 K C -1.503 175.227 176.600 0.217 0.000 0.933 373 K CA -0.687 55.767 56.287 0.279 0.000 0.806 373 K CB 1.631 34.249 32.500 0.197 0.000 1.301 373 K HN 0.564 nan 8.250 nan 0.000 0.432 374 I N 4.688 125.357 120.570 0.165 0.000 2.587 374 I HA 0.147 4.317 4.170 -0.000 0.000 0.284 374 I C 0.286 176.483 176.117 0.133 0.000 1.134 374 I CA 0.023 61.399 61.300 0.127 0.000 1.410 374 I CB -0.260 37.796 38.000 0.095 0.000 1.392 374 I HN 0.672 nan 8.210 nan 0.000 0.545 375 I N 1.758 122.429 120.570 0.168 0.000 3.191 375 I HA 0.487 4.657 4.170 -0.000 0.000 0.313 375 I C -0.285 175.940 176.117 0.180 0.000 1.193 375 I CA -0.877 60.520 61.300 0.162 0.000 0.968 375 I CB 2.110 40.219 38.000 0.180 0.000 1.262 375 I HN 0.254 nan 8.210 nan 0.000 0.456 376 S N 2.406 118.166 115.700 0.099 0.000 2.510 376 S HA 0.203 4.673 4.470 -0.000 0.000 0.279 376 S C 0.149 174.792 174.600 0.071 0.000 1.284 376 S CA -0.239 57.971 58.200 0.017 0.000 1.059 376 S CB -0.428 62.734 63.200 -0.063 0.000 0.901 376 S HN 0.631 nan 8.310 nan 0.000 0.491 377 N N 2.324 120.977 118.700 -0.078 0.000 2.307 377 N HA -0.033 4.707 4.740 -0.000 0.000 0.230 377 N C 1.225 176.637 175.510 -0.164 0.000 1.297 377 N CA 0.091 52.959 53.050 -0.303 0.000 0.884 377 N CB 0.391 38.724 38.487 -0.257 0.000 1.115 377 N HN 0.773 nan 8.380 nan 0.000 0.436 378 E N 0.689 120.764 120.200 -0.207 0.000 2.160 378 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 378 E C 0.871 177.414 176.600 -0.094 0.000 0.991 378 E CA 1.459 57.797 56.400 -0.104 0.000 0.810 378 E CB 0.075 29.713 29.700 -0.103 0.000 0.742 378 E HN 0.638 nan 8.360 nan 0.000 0.466 379 E N -1.842 118.295 120.200 -0.104 0.000 2.479 379 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 379 E C 0.561 177.172 176.600 0.019 0.000 1.049 379 E CA 0.447 56.834 56.400 -0.022 0.000 0.870 379 E CB 0.179 29.869 29.700 -0.016 0.000 0.944 379 E HN 0.413 nan 8.360 nan 0.000 0.492 380 G N 0.509 109.252 108.800 -0.095 0.000 2.176 380 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 380 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 380 G C -0.378 174.259 174.900 -0.438 0.000 0.986 380 G CA 0.117 45.050 45.100 -0.280 0.000 0.643 380 G HN 0.218 nan 8.290 nan 0.000 0.522 381 Y N 0.392 120.561 120.300 -0.218 0.000 2.342 381 Y HA 0.664 5.214 4.550 -0.000 0.000 0.334 381 Y C 1.110 176.850 175.900 -0.267 0.000 1.067 381 Y CA -0.889 57.065 58.100 -0.243 0.000 1.128 381 Y CB 1.030 39.358 38.460 -0.221 0.000 1.200 381 Y HN 0.053 nan 8.280 nan 0.000 0.464 382 R N 3.834 124.192 120.500 -0.236 0.000 2.248 382 R HA 0.222 4.562 4.340 -0.000 0.000 0.337 382 R C -0.830 175.212 176.300 -0.430 0.000 1.085 382 R CA 0.046 56.018 56.100 -0.214 0.000 0.934 382 R CB -0.122 30.100 30.300 -0.130 0.000 1.034 382 R HN 0.657 nan 8.270 nan 0.000 0.465 383 H N 2.098 121.134 119.070 -0.056 0.000 2.894 383 H HA 0.303 4.859 4.556 -0.000 0.000 0.368 383 H C 0.036 175.407 175.328 0.072 0.000 1.181 383 H CA -0.975 55.018 56.048 -0.090 0.000 1.146 383 H CB 1.726 31.348 29.762 -0.232 0.000 1.839 383 H HN 0.317 nan 8.280 nan 0.000 0.557 384 I N 1.519 122.150 120.570 0.101 0.000 2.517 384 I HA -0.026 4.144 4.170 -0.000 0.000 0.285 384 I C 0.486 176.648 176.117 0.074 0.000 1.106 384 I CA 0.309 61.639 61.300 0.051 0.000 1.402 384 I CB 0.160 38.097 38.000 -0.107 0.000 1.399 384 I HN 0.170 nan 8.210 nan 0.000 0.535 385 c N 7.541 126.140 118.600 -0.002 0.000 2.411 385 c HA 0.421 4.991 4.570 -0.000 0.000 0.330 385 c C -0.239 173.741 174.090 -0.183 0.000 1.224 385 c CA -0.470 55.662 56.329 -0.329 0.000 1.770 385 c CB 0.952 42.992 42.510 -0.784 0.000 2.297 385 c HN 0.620 nan 8.230 nan 0.000 0.507 386 Y N 4.058 124.048 120.300 -0.518 0.000 2.320 386 Y HA 0.656 5.206 4.550 -0.000 0.000 0.334 386 Y C -0.952 174.452 175.900 -0.826 0.000 1.055 386 Y CA -0.866 56.881 58.100 -0.588 0.000 1.143 386 Y CB 0.413 38.631 38.460 -0.404 0.000 1.193 386 Y HN 0.619 nan 8.280 nan 0.000 0.477 387 F N 3.723 122.949 119.950 -1.206 0.000 2.520 387 F HA 0.414 4.941 4.527 -0.000 0.000 0.322 387 F C -0.327 174.773 175.800 -1.166 0.000 1.103 387 F CA -0.923 56.299 58.000 -1.295 0.000 0.926 387 F CB 1.856 39.613 39.000 -2.073 0.000 1.154 387 F HN 0.305 nan 8.300 nan 0.000 0.453 388 Q N 2.730 122.185 119.800 -0.575 0.000 2.271 388 Q HA 0.381 4.721 4.340 -0.000 0.000 0.258 388 Q C 0.995 176.996 176.000 0.001 0.000 0.936 388 Q CA -0.249 55.375 55.803 -0.298 0.000 0.909 388 Q CB 1.379 29.972 28.738 -0.242 0.000 1.253 388 Q HN 0.704 nan 8.270 nan 0.000 0.440 389 I N -0.270 120.390 120.570 0.150 0.000 2.335 389 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 389 I C 0.221 176.523 176.117 0.308 0.000 1.129 389 I CA 1.790 63.319 61.300 0.380 0.000 1.402 389 I CB -0.098 38.114 38.000 0.353 0.000 1.069 389 I HN 0.494 nan 8.210 nan 0.000 0.424 390 D N 0.070 120.567 120.400 0.161 0.000 2.423 390 D HA 0.074 4.714 4.640 -0.000 0.000 0.212 390 D C 0.885 177.233 176.300 0.079 0.000 1.060 390 D CA -0.069 53.984 54.000 0.088 0.000 0.872 390 D CB -0.159 40.670 40.800 0.048 0.000 1.012 390 D HN 0.168 nan 8.370 nan 0.000 0.503 391 K N 1.244 121.688 120.400 0.072 0.000 2.412 391 K HA 0.099 4.419 4.320 -0.000 0.000 0.284 391 K C 0.864 177.522 176.600 0.097 0.000 1.046 391 K CA -0.144 56.161 56.287 0.029 0.000 0.999 391 K CB 0.818 33.285 32.500 -0.055 0.000 0.941 391 K HN -0.061 nan 8.250 nan 0.000 0.474 392 K N 1.943 122.385 120.400 0.070 0.000 1.973 392 K HA -0.030 4.290 4.320 -0.000 0.000 0.210 392 K C 0.164 176.813 176.600 0.081 0.000 1.045 392 K CA 1.111 57.472 56.287 0.124 0.000 0.937 392 K CB -0.220 32.315 32.500 0.059 0.000 0.721 392 K HN 0.476 nan 8.250 nan 0.000 0.438 393 D N 0.525 120.893 120.400 -0.053 0.000 2.371 393 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 393 D C -0.002 176.049 176.300 -0.414 0.000 1.218 393 D CA -0.006 53.890 54.000 -0.173 0.000 0.945 393 D CB 1.075 41.791 40.800 -0.141 0.000 1.137 393 D HN 0.464 nan 8.370 nan 0.000 0.464 394 c N -1.276 116.931 118.600 -0.655 0.000 2.614 394 c HA 0.661 5.231 4.570 -0.000 0.000 0.320 394 c C 0.091 173.749 174.090 -0.720 0.000 1.200 394 c CA -0.647 55.050 56.329 -1.053 0.000 1.700 394 c CB 1.182 42.444 42.510 -2.079 0.000 2.275 394 c HN 0.421 nan 8.230 nan 0.000 0.492 395 T N 3.190 117.395 114.554 -0.581 0.000 2.753 395 T HA 0.448 4.798 4.350 -0.000 0.000 0.297 395 T C -0.365 174.135 174.700 -0.332 0.000 0.981 395 T CA 0.221 62.137 62.100 -0.307 0.000 0.956 395 T CB -0.250 68.584 68.868 -0.057 0.000 0.936 395 T HN 0.491 nan 8.240 nan 0.000 0.463 396 F N 3.468 123.303 119.950 -0.192 0.000 2.563 396 F HA 0.177 4.704 4.527 -0.000 0.000 0.363 396 F C 1.559 177.225 175.800 -0.223 0.000 1.123 396 F CA -0.389 57.492 58.000 -0.198 0.000 1.307 396 F CB 0.344 39.224 39.000 -0.200 0.000 1.115 396 F HN 0.564 nan 8.300 nan 0.000 0.592 397 I N -1.527 118.993 120.570 -0.083 0.000 4.403 397 I HA 0.268 4.438 4.170 -0.000 0.000 0.331 397 I C 0.051 176.063 176.117 -0.175 0.000 1.327 397 I CA -0.016 61.113 61.300 -0.285 0.000 1.175 397 I CB 0.382 37.958 38.000 -0.707 0.000 1.165 397 I HN 0.454 nan 8.210 nan 0.000 0.413 398 T N 0.329 114.792 114.554 -0.151 0.000 2.907 398 T HA 0.734 5.084 4.350 -0.000 0.000 0.292 398 T C -0.654 173.622 174.700 -0.707 0.000 1.043 398 T CA -0.658 61.311 62.100 -0.219 0.000 1.003 398 T CB 2.577 71.416 68.868 -0.049 0.000 1.084 398 T HN 0.466 nan 8.240 nan 0.000 0.483 399 K N -0.070 119.763 120.400 -0.944 0.000 2.548 399 K HA 0.822 5.142 4.320 -0.000 0.000 0.282 399 K C -0.248 175.693 176.600 -1.099 0.000 1.006 399 K CA -0.900 54.604 56.287 -1.305 0.000 0.892 399 K CB 1.398 33.503 32.500 -0.658 0.000 1.499 399 K HN 1.559 nan 8.250 nan 0.000 0.433 400 G N -0.105 108.142 108.800 -0.923 0.000 2.408 400 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.682 400 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.682 400 G C -0.453 173.914 174.900 -0.888 0.000 1.303 400 G CA -0.389 44.301 45.100 -0.682 0.000 0.966 400 G HN 1.079 nan 8.290 nan 0.000 0.560 401 T N -0.661 113.507 114.554 -0.644 0.000 3.843 401 T HA 0.543 4.893 4.350 -0.000 0.000 0.227 401 T C 0.285 174.814 174.700 -0.284 0.000 1.043 401 T CA 0.742 62.321 62.100 -0.868 0.000 1.012 401 T CB -1.002 67.596 68.868 -0.450 0.000 1.279 401 T HN 1.616 nan 8.240 nan 0.000 0.730 402 W N -0.506 120.663 121.300 -0.219 0.000 2.937 402 W HA 0.621 5.281 4.660 -0.000 0.000 0.360 402 W C -1.646 174.863 176.519 -0.015 0.000 1.215 402 W CA -0.962 56.381 57.345 -0.004 0.000 1.183 402 W CB 0.744 30.180 29.460 -0.040 0.000 1.458 402 W HN 0.094 nan 8.180 nan 0.000 0.574 403 E N 1.075 121.491 120.200 0.360 0.000 2.266 403 E HA 0.426 4.776 4.350 -0.000 0.000 0.268 403 E C -0.985 175.737 176.600 0.205 0.000 0.879 403 E CA -1.139 55.267 56.400 0.011 0.000 0.762 403 E CB 3.413 33.143 29.700 0.050 0.000 1.199 403 E HN 0.198 nan 8.360 nan 0.000 0.422 404 V N 4.443 124.341 119.914 -0.026 0.000 2.455 404 V HA 0.006 4.126 4.120 -0.000 0.000 0.273 404 V C 1.323 177.480 176.094 0.105 0.000 1.045 404 V CA -0.062 62.298 62.300 0.100 0.000 0.976 404 V CB 0.310 32.087 31.823 -0.075 0.000 0.993 404 V HN 0.674 nan 8.190 nan 0.000 0.475 405 I N 3.471 124.130 120.570 0.148 0.000 2.188 405 I HA 0.209 4.379 4.170 -0.000 0.000 0.237 405 I C 1.210 177.419 176.117 0.152 0.000 1.073 405 I CA 1.311 62.692 61.300 0.135 0.000 1.359 405 I CB -0.958 37.068 38.000 0.043 0.000 1.083 405 I HN 0.712 nan 8.210 nan 0.000 0.412 406 G N 0.783 109.676 108.800 0.155 0.000 2.667 406 G HA2 0.632 4.592 3.960 -0.000 0.000 0.298 406 G HA3 0.632 4.592 3.960 -0.000 0.000 0.298 406 G C -1.011 173.973 174.900 0.139 0.000 1.377 406 G CA -0.485 44.709 45.100 0.158 0.000 0.964 406 G HN 0.035 nan 8.290 nan 0.000 0.493 407 I N 1.798 122.400 120.570 0.053 0.000 2.352 407 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 407 I C 0.584 176.628 176.117 -0.122 0.000 1.036 407 I CA -0.442 60.772 61.300 -0.143 0.000 1.336 407 I CB 1.563 39.217 38.000 -0.576 0.000 1.407 407 I HN 0.482 nan 8.210 nan 0.000 0.497 408 E N 4.928 125.117 120.200 -0.019 0.000 2.290 408 E HA 0.334 4.684 4.350 -0.000 0.000 0.197 408 E C 0.170 176.712 176.600 -0.097 0.000 0.948 408 E CA 0.211 56.652 56.400 0.068 0.000 0.895 408 E CB 0.848 30.677 29.700 0.216 0.000 0.865 408 E HN 0.687 nan 8.360 nan 0.000 0.486 409 A N 0.744 123.409 122.820 -0.257 0.000 2.594 409 A HA 0.560 4.880 4.320 -0.000 0.000 0.296 409 A C -1.966 175.548 177.584 -0.116 0.000 1.061 409 A CA -0.645 51.169 52.037 -0.372 0.000 0.689 409 A CB 1.236 19.485 19.000 -1.253 0.000 1.280 409 A HN 0.036 nan 8.150 nan 0.000 0.406 410 L N 2.129 123.340 121.223 -0.019 0.000 2.372 410 L HA 0.785 5.125 4.340 -0.000 0.000 0.274 410 L C 0.390 177.305 176.870 0.076 0.000 0.988 410 L CA 0.424 55.293 54.840 0.048 0.000 0.833 410 L CB 1.647 43.782 42.059 0.128 0.000 1.236 410 L HN 1.104 nan 8.230 nan 0.000 0.410 411 T N -0.142 114.464 114.554 0.086 0.000 2.919 411 T HA 0.412 4.762 4.350 -0.000 0.000 0.282 411 T C 1.076 175.806 174.700 0.049 0.000 1.020 411 T CA 0.086 62.236 62.100 0.083 0.000 0.994 411 T CB 1.154 70.096 68.868 0.122 0.000 1.180 411 T HN 0.591 nan 8.240 nan 0.000 0.566 412 S N -0.564 115.154 115.700 0.031 0.000 2.481 412 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 412 S C 0.738 175.289 174.600 -0.081 0.000 0.996 412 S CA 0.689 58.894 58.200 0.008 0.000 0.942 412 S CB -0.515 62.696 63.200 0.018 0.000 0.768 412 S HN 0.701 nan 8.310 nan 0.000 0.520 413 D N -0.095 120.204 120.400 -0.169 0.000 2.414 413 D HA 0.221 4.861 4.640 -0.000 0.000 0.237 413 D C -0.203 175.768 176.300 -0.549 0.000 0.975 413 D CA 0.736 54.469 54.000 -0.445 0.000 0.917 413 D CB -0.039 40.359 40.800 -0.669 0.000 1.061 413 D HN 0.486 nan 8.370 nan 0.000 0.480 414 Y N 0.230 120.451 120.300 -0.132 0.000 2.446 414 Y HA 0.374 4.924 4.550 -0.000 0.000 0.345 414 Y C -0.277 175.424 175.900 -0.331 0.000 0.984 414 Y CA -1.366 56.549 58.100 -0.308 0.000 1.058 414 Y CB 2.323 40.436 38.460 -0.579 0.000 1.220 414 Y HN -0.175 nan 8.280 nan 0.000 0.455 415 L N 4.370 125.478 121.223 -0.191 0.000 2.272 415 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 415 L C -1.599 175.122 176.870 -0.249 0.000 1.032 415 L CA -0.969 53.728 54.840 -0.238 0.000 0.810 415 L CB -0.207 41.622 42.059 -0.384 0.000 1.205 415 L HN 0.571 nan 8.230 nan 0.000 0.422 416 Y N 6.244 126.471 120.300 -0.121 0.000 2.320 416 Y HA 0.502 5.052 4.550 -0.000 0.000 0.334 416 Y C -0.102 175.797 175.900 -0.001 0.000 1.055 416 Y CA -0.172 57.857 58.100 -0.118 0.000 1.143 416 Y CB 1.169 39.493 38.460 -0.227 0.000 1.193 416 Y HN 0.597 nan 8.280 nan 0.000 0.477 417 Y N 0.338 120.678 120.300 0.066 0.000 2.615 417 Y HA 0.809 5.359 4.550 -0.000 0.000 0.341 417 Y C -1.744 174.214 175.900 0.097 0.000 1.089 417 Y CA -1.981 56.148 58.100 0.048 0.000 1.049 417 Y CB 1.173 39.634 38.460 0.001 0.000 1.296 417 Y HN 0.411 nan 8.280 nan 0.000 0.470 418 I N 3.164 123.876 120.570 0.238 0.000 2.404 418 I HA 0.629 4.799 4.170 -0.000 0.000 0.293 418 I C -0.418 175.853 176.117 0.258 0.000 0.992 418 I CA -0.495 60.895 61.300 0.149 0.000 1.149 418 I CB 1.992 40.030 38.000 0.063 0.000 1.315 418 I HN 0.895 nan 8.210 nan 0.000 0.446 419 S N 3.225 119.036 115.700 0.185 0.000 2.671 419 S HA 0.399 4.869 4.470 -0.000 0.000 0.277 419 S C -0.349 174.263 174.600 0.019 0.000 1.165 419 S CA -0.834 57.448 58.200 0.136 0.000 0.822 419 S CB 1.716 65.008 63.200 0.154 0.000 1.150 419 S HN 0.651 nan 8.310 nan 0.000 0.479 420 N N -0.418 118.288 118.700 0.010 0.000 2.238 420 N HA 0.091 4.831 4.740 -0.000 0.000 0.222 420 N C 0.732 176.184 175.510 -0.097 0.000 1.133 420 N CA 0.115 53.143 53.050 -0.037 0.000 0.854 420 N CB -0.006 38.460 38.487 -0.035 0.000 1.041 420 N HN 0.853 nan 8.380 nan 0.000 0.510 421 E N -0.001 119.986 120.200 -0.356 0.000 2.085 421 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 421 E C -0.262 176.171 176.600 -0.279 0.000 0.994 421 E CA 0.384 56.343 56.400 -0.735 0.000 0.801 421 E CB -0.215 28.424 29.700 -1.767 0.000 0.743 421 E HN 0.365 nan 8.360 nan 0.000 0.453 422 Y N 1.670 121.860 120.300 -0.184 0.000 2.810 422 Y HA -0.104 4.446 4.550 -0.000 0.000 0.332 422 Y C 0.473 176.325 175.900 -0.079 0.000 1.243 422 Y CA 0.724 58.775 58.100 -0.082 0.000 1.537 422 Y CB 0.237 38.676 38.460 -0.036 0.000 1.265 422 Y HN 0.094 nan 8.280 nan 0.000 0.572 423 K N 3.191 123.295 120.400 -0.493 0.000 3.363 423 K HA -0.218 4.101 4.320 -0.000 0.000 0.313 423 K C 0.822 177.337 176.600 -0.142 0.000 1.259 423 K CA 1.295 57.349 56.287 -0.387 0.000 0.942 423 K CB -1.745 30.480 32.500 -0.457 0.000 1.229 423 K HN 1.339 nan 8.250 nan 0.000 0.440 424 G N 0.672 109.404 108.800 -0.112 0.000 2.361 424 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.294 424 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.294 424 G C 0.092 174.955 174.900 -0.062 0.000 1.004 424 G CA 0.977 46.054 45.100 -0.038 0.000 0.870 424 G HN 0.534 nan 8.290 nan 0.000 0.510 425 M N -1.839 117.650 119.600 -0.184 0.000 2.063 425 M HA 0.493 4.973 4.480 -0.000 0.000 0.348 425 M C -1.804 174.195 176.300 -0.501 0.000 1.180 425 M CA -2.239 52.750 55.300 -0.520 0.000 1.059 425 M CB 1.740 34.063 32.600 -0.462 0.000 1.544 425 M HN -0.152 nan 8.290 nan 0.000 0.447 426 P HA -0.043 nan 4.420 nan 0.000 0.220 426 P C 1.275 178.424 177.300 -0.250 0.000 1.148 426 P CA 1.327 64.223 63.100 -0.341 0.000 0.803 426 P CB 0.103 31.598 31.700 -0.341 0.000 0.782 427 G N -1.009 107.588 108.800 -0.339 0.000 3.314 427 G HA2 0.319 4.278 3.960 -0.000 0.000 0.238 427 G HA3 0.319 4.278 3.960 -0.000 0.000 0.238 427 G C 0.553 175.452 174.900 -0.001 0.000 1.184 427 G CA -0.012 45.022 45.100 -0.110 0.000 0.806 427 G HN 0.356 nan 8.290 nan 0.000 0.536 428 G N -0.155 108.593 108.800 -0.086 0.000 2.471 428 G HA2 0.661 4.621 3.960 -0.000 0.000 0.332 428 G HA3 0.661 4.621 3.960 -0.000 0.000 0.332 428 G C -0.829 173.948 174.900 -0.204 0.000 1.176 428 G CA -0.773 44.301 45.100 -0.042 0.000 0.949 428 G HN 0.093 nan 8.290 nan 0.000 0.488 429 R N 0.935 121.257 120.500 -0.297 0.000 2.574 429 R HA 0.464 4.803 4.340 -0.000 0.000 0.288 429 R C -1.227 175.019 176.300 -0.089 0.000 1.004 429 R CA -0.836 55.063 56.100 -0.335 0.000 0.895 429 R CB 2.096 31.938 30.300 -0.762 0.000 1.191 429 R HN 0.600 nan 8.270 nan 0.000 0.444 430 N N 1.374 120.042 118.700 -0.052 0.000 2.416 430 N HA 0.331 5.071 4.740 -0.000 0.000 0.276 430 N C -1.295 174.075 175.510 -0.234 0.000 1.261 430 N CA -0.827 52.118 53.050 -0.175 0.000 0.790 430 N CB 2.562 40.854 38.487 -0.326 0.000 1.554 430 N HN 0.238 nan 8.380 nan 0.000 0.481 431 L N 1.985 122.918 121.223 -0.483 0.000 2.305 431 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 431 L C -1.383 175.099 176.870 -0.646 0.000 1.085 431 L CA 0.020 54.599 54.840 -0.436 0.000 0.813 431 L CB -0.159 41.614 42.059 -0.477 0.000 1.157 431 L HN 0.401 nan 8.230 nan 0.000 0.436 432 Y N 3.602 123.527 120.300 -0.625 0.000 2.499 432 Y HA 0.554 5.104 4.550 -0.000 0.000 0.347 432 Y C -0.368 175.135 175.900 -0.661 0.000 0.987 432 Y CA -0.906 56.755 58.100 -0.731 0.000 1.044 432 Y CB 1.673 39.466 38.460 -1.111 0.000 1.245 432 Y HN 0.542 nan 8.280 nan 0.000 0.461 433 K N 2.729 122.904 120.400 -0.374 0.000 2.259 433 K HA 0.791 5.111 4.320 -0.000 0.000 0.252 433 K C -1.687 174.782 176.600 -0.218 0.000 0.936 433 K CA -0.717 55.289 56.287 -0.468 0.000 0.810 433 K CB 2.733 34.671 32.500 -0.936 0.000 1.143 433 K HN 0.768 nan 8.250 nan 0.000 0.427 434 I N 1.800 122.338 120.570 -0.054 0.000 2.474 434 I HA 0.141 4.311 4.170 -0.000 0.000 0.294 434 I C -0.695 175.548 176.117 0.211 0.000 1.005 434 I CA -0.866 60.499 61.300 0.109 0.000 1.113 434 I CB 2.086 40.185 38.000 0.165 0.000 1.289 434 I HN 0.800 nan 8.210 nan 0.000 0.436 435 Q N 5.043 125.002 119.800 0.265 0.000 2.293 435 Q HA 0.109 4.449 4.340 -0.000 0.000 0.263 435 Q C 0.361 176.423 176.000 0.104 0.000 1.002 435 Q CA -0.372 55.565 55.803 0.223 0.000 0.910 435 Q CB 1.251 30.090 28.738 0.168 0.000 1.185 435 Q HN 0.738 nan 8.270 nan 0.000 0.401 436 L N 2.836 124.047 121.223 -0.020 0.000 2.131 436 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 436 L C 2.087 178.858 176.870 -0.165 0.000 1.092 436 L CA 1.639 56.486 54.840 0.011 0.000 0.759 436 L CB -0.365 41.663 42.059 -0.051 0.000 0.903 436 L HN 0.623 nan 8.230 nan 0.000 0.435 437 S N -1.580 114.008 115.700 -0.187 0.000 2.383 437 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 437 S C 0.765 175.206 174.600 -0.265 0.000 1.026 437 S CA 1.028 59.102 58.200 -0.210 0.000 0.981 437 S CB -0.086 63.022 63.200 -0.153 0.000 0.818 437 S HN 0.375 nan 8.310 nan 0.000 0.472 438 D N -0.280 120.006 120.400 -0.190 0.000 2.358 438 D HA 0.236 4.876 4.640 -0.000 0.000 0.253 438 D C -0.998 175.303 176.300 0.001 0.000 1.288 438 D CA -0.551 53.366 54.000 -0.138 0.000 0.950 438 D CB 0.314 41.080 40.800 -0.056 0.000 1.197 438 D HN 0.013 nan 8.370 nan 0.000 0.550 439 Y N 1.593 121.885 120.300 -0.013 0.000 2.572 439 Y HA 0.056 4.606 4.550 -0.000 0.000 0.340 439 Y C 2.050 177.958 175.900 0.013 0.000 1.224 439 Y CA 0.350 58.448 58.100 -0.004 0.000 1.260 439 Y CB -0.357 38.096 38.460 -0.012 0.000 1.078 439 Y HN 0.278 nan 8.280 nan 0.000 0.491 440 T N -1.331 113.307 114.554 0.140 0.000 3.003 440 T HA 0.160 4.510 4.350 -0.000 0.000 0.261 440 T C 0.485 175.235 174.700 0.082 0.000 1.003 440 T CA -0.053 62.103 62.100 0.095 0.000 0.917 440 T CB 0.070 68.972 68.868 0.057 0.000 1.084 440 T HN 0.064 nan 8.240 nan 0.000 0.522 441 K N 1.983 122.438 120.400 0.092 0.000 2.356 441 K HA 0.514 4.834 4.320 -0.000 0.000 0.243 441 K C -1.124 175.527 176.600 0.084 0.000 1.072 441 K CA -0.241 56.094 56.287 0.079 0.000 1.014 441 K CB 1.766 34.313 32.500 0.078 0.000 1.523 441 K HN 0.045 nan 8.250 nan 0.000 0.455 442 V N 2.478 122.434 119.914 0.071 0.000 2.435 442 V HA 0.447 4.567 4.120 -0.000 0.000 0.290 442 V C -0.870 175.229 176.094 0.009 0.000 1.030 442 V CA -0.043 62.297 62.300 0.066 0.000 0.881 442 V CB 1.866 33.773 31.823 0.140 0.000 0.983 442 V HN 0.626 nan 8.190 nan 0.000 0.445 443 T N 5.643 120.149 114.554 -0.079 0.000 2.848 443 T HA 0.278 4.628 4.350 -0.000 0.000 0.285 443 T C -0.650 173.877 174.700 -0.288 0.000 0.995 443 T CA -0.294 61.711 62.100 -0.159 0.000 0.970 443 T CB 1.127 69.874 68.868 -0.201 0.000 0.976 443 T HN 0.864 nan 8.240 nan 0.000 0.441 444 C N 5.291 124.338 119.300 -0.422 0.000 2.373 444 C HA 0.407 4.867 4.460 -0.000 0.000 0.354 444 C C 1.667 176.285 174.990 -0.621 0.000 1.249 444 C CA -0.593 57.908 59.018 -0.861 0.000 1.784 444 C CB -1.881 25.220 27.740 -1.066 0.000 2.408 444 C HN 0.972 nan 8.230 nan 0.000 0.542 445 L N 4.890 125.738 121.223 -0.624 0.000 2.509 445 L HA 0.084 4.424 4.340 -0.000 0.000 0.222 445 L C 2.108 178.663 176.870 -0.525 0.000 1.123 445 L CA 0.907 55.471 54.840 -0.460 0.000 0.856 445 L CB -0.370 41.440 42.059 -0.415 0.000 0.985 445 L HN 0.899 nan 8.230 nan 0.000 0.456 446 S N -2.941 112.333 115.700 -0.710 0.000 2.619 446 S HA -0.019 4.451 4.470 -0.000 0.000 0.238 446 S C 1.912 176.122 174.600 -0.651 0.000 1.068 446 S CA 0.009 57.692 58.200 -0.862 0.000 0.926 446 S CB -0.278 61.974 63.200 -1.581 0.000 0.864 446 S HN 0.297 nan 8.310 nan 0.000 0.493 447 C N 2.340 121.219 119.300 -0.703 0.000 2.349 447 C HA -0.076 4.384 4.460 -0.000 0.000 0.274 447 C C 2.593 177.304 174.990 -0.466 0.000 1.178 447 C CA 1.674 60.212 59.018 -0.799 0.000 1.769 447 C CB -1.169 25.899 27.740 -1.120 0.000 2.047 447 C HN 0.587 nan 8.230 nan 0.000 0.448 448 E N 0.086 120.090 120.200 -0.327 0.000 2.489 448 E HA 0.144 4.494 4.350 -0.000 0.000 0.193 448 E C 1.930 178.478 176.600 -0.087 0.000 1.057 448 E CA 0.052 56.359 56.400 -0.154 0.000 0.866 448 E CB -0.355 29.272 29.700 -0.121 0.000 0.916 448 E HN 0.591 nan 8.360 nan 0.000 0.500 449 L N 0.127 121.291 121.223 -0.099 0.000 1.989 449 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 449 L C 0.928 177.812 176.870 0.022 0.000 1.071 449 L CA 1.023 55.848 54.840 -0.026 0.000 0.749 449 L CB 0.029 42.083 42.059 -0.009 0.000 0.890 449 L HN 0.083 nan 8.230 nan 0.000 0.431 450 N N -1.509 117.222 118.700 0.050 0.000 2.824 450 N HA 0.110 4.850 4.740 -0.000 0.000 0.224 450 N C -2.180 173.362 175.510 0.053 0.000 1.418 450 N CA -1.031 52.045 53.050 0.043 0.000 0.743 450 N CB 0.938 39.446 38.487 0.036 0.000 1.395 450 N HN -0.170 nan 8.380 nan 0.000 0.548 451 P HA -0.049 nan 4.420 nan 0.000 0.221 451 P C 0.783 178.134 177.300 0.084 0.000 1.150 451 P CA 1.011 64.168 63.100 0.096 0.000 0.800 451 P CB 0.737 32.511 31.700 0.123 0.000 0.787 452 E N -0.303 119.929 120.200 0.053 0.000 2.107 452 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 452 E C 2.276 178.891 176.600 0.025 0.000 0.982 452 E CA 0.703 57.126 56.400 0.039 0.000 0.809 452 E CB -0.073 29.642 29.700 0.026 0.000 0.756 452 E HN 0.212 nan 8.360 nan 0.000 0.459 453 R N -0.445 120.061 120.500 0.011 0.000 2.175 453 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 453 R C 0.030 176.303 176.300 -0.045 0.000 1.018 453 R CA 0.427 56.515 56.100 -0.021 0.000 1.029 453 R CB 0.571 30.848 30.300 -0.038 0.000 0.959 453 R HN 0.017 nan 8.270 nan 0.000 0.480 454 c N 1.024 119.604 118.600 -0.034 0.000 2.356 454 c HA 0.399 4.969 4.570 -0.000 0.000 0.324 454 c C -0.109 173.972 174.090 -0.015 0.000 1.167 454 c CA -0.657 55.592 56.329 -0.134 0.000 1.420 454 c CB 1.209 43.600 42.510 -0.199 0.000 2.036 454 c HN 0.514 nan 8.230 nan 0.000 0.435 455 Q N 0.513 120.305 119.800 -0.012 0.000 2.093 455 Q HA 0.220 4.560 4.340 -0.000 0.000 0.217 455 Q C -0.935 175.128 176.000 0.106 0.000 0.785 455 Q CA 0.055 55.922 55.803 0.108 0.000 1.038 455 Q CB 1.309 30.128 28.738 0.134 0.000 1.190 455 Q HN 0.781 nan 8.270 nan 0.000 0.468 456 Y N 0.329 120.525 120.300 -0.173 0.000 2.322 456 Y HA 0.412 4.962 4.550 -0.000 0.000 0.324 456 Y C -1.656 174.070 175.900 -0.289 0.000 1.027 456 Y CA -1.024 56.992 58.100 -0.141 0.000 1.179 456 Y CB 1.014 39.407 38.460 -0.112 0.000 1.136 456 Y HN -0.060 nan 8.280 nan 0.000 0.449 457 Y N 2.711 122.921 120.300 -0.150 0.000 2.425 457 Y HA 0.552 5.102 4.550 -0.000 0.000 0.344 457 Y C 0.055 175.888 175.900 -0.112 0.000 0.969 457 Y CA -0.775 57.261 58.100 -0.107 0.000 1.052 457 Y CB 2.249 40.612 38.460 -0.161 0.000 1.215 457 Y HN 0.557 nan 8.280 nan 0.000 0.451 458 S N 1.472 117.246 115.700 0.124 0.000 2.704 458 S HA 0.863 5.333 4.470 -0.000 0.000 0.305 458 S C -1.199 173.453 174.600 0.087 0.000 1.107 458 S CA -0.789 57.470 58.200 0.099 0.000 0.993 458 S CB 2.051 65.323 63.200 0.121 0.000 1.110 458 S HN 0.544 nan 8.310 nan 0.000 0.534 459 V N 0.307 120.272 119.914 0.085 0.000 2.925 459 V HA 0.801 4.921 4.120 -0.000 0.000 0.311 459 V C -1.084 175.085 176.094 0.125 0.000 1.104 459 V CA -0.371 61.952 62.300 0.039 0.000 0.954 459 V CB 2.301 34.069 31.823 -0.093 0.000 1.022 459 V HN 1.085 nan 8.190 nan 0.000 0.427 460 S N 5.632 121.402 115.700 0.117 0.000 2.745 460 S HA 0.633 5.103 4.470 -0.000 0.000 0.283 460 S C -1.020 173.752 174.600 0.287 0.000 1.170 460 S CA -0.402 57.975 58.200 0.295 0.000 1.119 460 S CB 0.187 63.611 63.200 0.374 0.000 1.035 460 S HN 0.505 nan 8.310 nan 0.000 0.483 461 F N 3.063 123.081 119.950 0.113 0.000 2.382 461 F HA 0.389 4.916 4.527 -0.000 0.000 0.331 461 F C 1.482 176.808 175.800 -0.791 0.000 1.121 461 F CA -0.187 57.698 58.000 -0.193 0.000 1.183 461 F CB 1.075 39.960 39.000 -0.192 0.000 1.207 461 F HN 0.603 nan 8.300 nan 0.000 0.555 462 S N 2.033 117.065 115.700 -1.114 0.000 2.596 462 S HA 0.101 4.571 4.470 -0.000 0.000 0.260 462 S C 1.195 175.563 174.600 -0.385 0.000 1.336 462 S CA -0.833 56.580 58.200 -1.311 0.000 0.993 462 S CB 0.772 63.391 63.200 -0.968 0.000 0.923 462 S HN 0.555 nan 8.310 nan 0.000 0.567 463 K N 1.053 121.360 120.400 -0.155 0.000 2.127 463 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 463 K C 1.230 177.826 176.600 -0.007 0.000 1.047 463 K CA 1.629 57.919 56.287 0.005 0.000 0.927 463 K CB -0.357 32.194 32.500 0.084 0.000 0.716 463 K HN 0.729 nan 8.250 nan 0.000 0.450 464 E N -1.079 119.089 120.200 -0.053 0.000 2.501 464 E HA 0.203 4.553 4.350 -0.000 0.000 0.201 464 E C 0.182 176.745 176.600 -0.061 0.000 1.016 464 E CA 0.290 56.669 56.400 -0.035 0.000 0.920 464 E CB 0.699 30.384 29.700 -0.025 0.000 1.023 464 E HN 0.211 nan 8.360 nan 0.000 0.474 465 A N 1.612 124.383 122.820 -0.081 0.000 2.905 465 A HA -0.296 4.024 4.320 -0.000 0.000 0.260 465 A C 1.391 178.959 177.584 -0.026 0.000 1.398 465 A CA 1.483 53.521 52.037 0.001 0.000 0.840 465 A CB -2.253 16.622 19.000 -0.208 0.000 1.059 465 A HN 0.248 nan 8.150 nan 0.000 0.647 466 K N -1.742 118.545 120.400 -0.189 0.000 2.097 466 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 466 K C 0.198 176.408 176.600 -0.651 0.000 1.050 466 K CA 1.746 57.773 56.287 -0.434 0.000 0.938 466 K CB -0.040 32.116 32.500 -0.574 0.000 0.718 466 K HN 0.711 nan 8.250 nan 0.000 0.442 467 Y N -1.334 118.858 120.300 -0.181 0.000 2.605 467 Y HA 0.325 4.875 4.550 -0.000 0.000 0.343 467 Y C -0.974 174.776 175.900 -0.251 0.000 1.036 467 Y CA -1.420 56.555 58.100 -0.209 0.000 1.065 467 Y CB 1.623 39.984 38.460 -0.165 0.000 1.288 467 Y HN -0.041 nan 8.280 nan 0.000 0.481 468 Y N -1.049 119.176 120.300 -0.126 0.000 2.513 468 Y HA 0.525 5.075 4.550 -0.000 0.000 0.340 468 Y C -1.211 174.674 175.900 -0.024 0.000 1.055 468 Y CA -1.401 56.460 58.100 -0.398 0.000 1.020 468 Y CB 1.549 39.227 38.460 -1.304 0.000 1.301 468 Y HN 0.596 nan 8.280 nan 0.000 0.453 469 Q N 4.186 124.113 119.800 0.212 0.000 2.290 469 Q HA 0.503 4.843 4.340 -0.000 0.000 0.259 469 Q C -1.649 174.433 176.000 0.137 0.000 0.941 469 Q CA -0.668 55.242 55.803 0.178 0.000 0.912 469 Q CB 1.227 30.061 28.738 0.159 0.000 1.244 469 Q HN 0.973 nan 8.270 nan 0.000 0.441 470 L N 4.363 125.672 121.223 0.144 0.000 2.312 470 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 470 L C -0.080 176.810 176.870 0.033 0.000 1.070 470 L CA -0.423 54.484 54.840 0.111 0.000 0.805 470 L CB 1.149 43.277 42.059 0.115 0.000 1.174 470 L HN 0.549 nan 8.230 nan 0.000 0.434 471 R N 2.402 122.876 120.500 -0.043 0.000 2.310 471 R HA 0.336 4.676 4.340 -0.000 0.000 0.324 471 R C -0.899 175.223 176.300 -0.297 0.000 0.955 471 R CA -0.493 55.372 56.100 -0.392 0.000 0.830 471 R CB 1.528 31.598 30.300 -0.384 0.000 1.154 471 R HN 0.620 nan 8.270 nan 0.000 0.458 472 c N 2.788 121.114 118.600 -0.457 0.000 2.295 472 c HA 0.439 5.009 4.570 -0.000 0.000 0.331 472 c C 1.211 175.081 174.090 -0.365 0.000 1.280 472 c CA -0.400 55.560 56.329 -0.615 0.000 1.746 472 c CB 0.312 42.369 42.510 -0.755 0.000 2.328 472 c HN 0.956 nan 8.230 nan 0.000 0.521 473 S N 3.793 119.360 115.700 -0.222 0.000 2.664 473 S HA 0.650 5.120 4.470 -0.000 0.000 0.245 473 S C 0.401 174.966 174.600 -0.059 0.000 1.019 473 S CA 0.243 58.378 58.200 -0.109 0.000 0.996 473 S CB -0.218 62.941 63.200 -0.068 0.000 0.878 473 S HN 2.259 nan 8.310 nan 0.000 0.493 474 G N 2.156 110.911 108.800 -0.075 0.000 2.361 474 G HA2 0.203 4.163 3.960 -0.000 0.000 0.331 474 G HA3 0.203 4.163 3.960 -0.000 0.000 0.331 474 G C -2.977 171.918 174.900 -0.008 0.000 1.324 474 G CA -0.355 44.746 45.100 0.002 0.000 0.984 474 G HN -0.064 nan 8.290 nan 0.000 0.586 475 P HA 0.132 nan 4.420 nan 0.000 0.233 475 P C 1.379 178.746 177.300 0.111 0.000 1.167 475 P CA 1.492 64.640 63.100 0.079 0.000 0.770 475 P CB 0.135 31.871 31.700 0.060 0.000 0.837 476 G N 0.402 109.204 108.800 0.003 0.000 2.588 476 G HA2 0.343 4.303 3.960 -0.000 0.000 0.278 476 G HA3 0.343 4.303 3.960 -0.000 0.000 0.278 476 G C -0.264 174.459 174.900 -0.295 0.000 1.307 476 G CA -0.728 44.314 45.100 -0.096 0.000 1.016 476 G HN 0.050 nan 8.290 nan 0.000 0.503 477 L N 1.307 122.247 121.223 -0.471 0.000 2.499 477 L HA 0.112 4.452 4.340 -0.000 0.000 0.273 477 L C -1.798 174.899 176.870 -0.288 0.000 1.195 477 L CA -1.168 53.313 54.840 -0.597 0.000 0.882 477 L CB 0.512 42.311 42.059 -0.432 0.000 1.133 477 L HN 0.249 nan 8.230 nan 0.000 0.483 478 P HA -0.007 nan 4.420 nan 0.000 0.264 478 P C -0.873 176.413 177.300 -0.024 0.000 1.179 478 P CA 0.072 63.122 63.100 -0.084 0.000 0.763 478 P CB 0.523 32.263 31.700 0.066 0.000 0.806 479 L N 5.113 126.273 121.223 -0.105 0.000 2.406 479 L HA 0.468 4.808 4.340 -0.000 0.000 0.272 479 L C -1.737 175.079 176.870 -0.089 0.000 0.980 479 L CA -0.615 54.205 54.840 -0.032 0.000 0.831 479 L CB 0.866 42.884 42.059 -0.069 0.000 1.253 479 L HN 0.193 nan 8.230 nan 0.000 0.406 480 Y N 2.878 123.133 120.300 -0.074 0.000 2.331 480 Y HA 0.747 5.297 4.550 -0.000 0.000 0.338 480 Y C 0.514 176.323 175.900 -0.151 0.000 0.992 480 Y CA -0.466 57.579 58.100 -0.091 0.000 1.121 480 Y CB 1.994 40.382 38.460 -0.119 0.000 1.184 480 Y HN 0.676 nan 8.280 nan 0.000 0.469 481 T N 1.749 116.322 114.554 0.032 0.000 2.903 481 T HA 0.702 5.052 4.350 -0.000 0.000 0.299 481 T C -1.281 173.411 174.700 -0.014 0.000 1.093 481 T CA -0.896 61.186 62.100 -0.030 0.000 1.002 481 T CB 1.592 70.505 68.868 0.075 0.000 1.127 481 T HN 0.565 nan 8.240 nan 0.000 0.488 482 L N 1.401 122.498 121.223 -0.211 0.000 2.330 482 L HA 0.735 5.075 4.340 -0.000 0.000 0.271 482 L C -1.059 175.530 176.870 -0.469 0.000 1.013 482 L CA -0.872 53.870 54.840 -0.163 0.000 0.816 482 L CB 1.838 43.811 42.059 -0.142 0.000 1.287 482 L HN 0.918 nan 8.230 nan 0.000 0.435 483 H N -0.269 118.605 119.070 -0.327 0.000 3.016 483 H HA 0.387 4.943 4.556 -0.000 0.000 0.362 483 H C -0.869 174.253 175.328 -0.344 0.000 1.233 483 H CA -0.709 55.038 56.048 -0.502 0.000 1.124 483 H CB 1.998 31.096 29.762 -1.107 0.000 1.850 483 H HN 0.443 nan 8.280 nan 0.000 0.549 484 S N 0.027 115.675 115.700 -0.086 0.000 2.449 484 S HA 0.298 4.768 4.470 -0.000 0.000 0.310 484 S C 0.241 174.800 174.600 -0.069 0.000 1.096 484 S CA -0.747 57.429 58.200 -0.041 0.000 1.095 484 S CB 1.655 64.876 63.200 0.035 0.000 1.007 484 S HN 0.561 nan 8.310 nan 0.000 0.474 485 S N 2.130 117.799 115.700 -0.052 0.000 2.453 485 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 485 S C 1.895 176.575 174.600 0.135 0.000 1.005 485 S CA 0.724 59.033 58.200 0.181 0.000 0.949 485 S CB -0.376 62.955 63.200 0.219 0.000 0.774 485 S HN 0.706 nan 8.310 nan 0.000 0.510 486 V N 2.824 122.751 119.914 0.021 0.000 2.231 486 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 486 V C 1.038 177.178 176.094 0.077 0.000 1.054 486 V CA 1.957 64.283 62.300 0.043 0.000 1.015 486 V CB -0.284 31.534 31.823 -0.009 0.000 0.638 486 V HN 0.549 nan 8.190 nan 0.000 0.444 487 N N -1.032 117.700 118.700 0.054 0.000 2.241 487 N HA 0.125 4.865 4.740 -0.000 0.000 0.238 487 N C -0.582 174.958 175.510 0.050 0.000 1.244 487 N CA 0.574 53.656 53.050 0.053 0.000 0.880 487 N CB 0.541 39.050 38.487 0.037 0.000 1.179 487 N HN 0.504 nan 8.380 nan 0.000 0.513 488 D N 0.945 121.391 120.400 0.077 0.000 2.907 488 D HA -0.117 4.523 4.640 -0.000 0.000 0.226 488 D C -0.512 175.836 176.300 0.080 0.000 1.141 488 D CA 1.115 55.180 54.000 0.108 0.000 0.779 488 D CB -0.998 39.858 40.800 0.093 0.000 1.095 488 D HN 0.239 nan 8.370 nan 0.000 0.430 489 K N 0.547 120.970 120.400 0.038 0.000 2.276 489 K HA 0.476 4.796 4.320 -0.000 0.000 0.283 489 K C 1.005 177.582 176.600 -0.039 0.000 1.044 489 K CA -0.060 56.233 56.287 0.010 0.000 0.944 489 K CB 1.097 33.592 32.500 -0.008 0.000 1.012 489 K HN 0.128 nan 8.250 nan 0.000 0.472 490 G N 3.131 111.890 108.800 -0.068 0.000 2.299 490 G HA2 0.034 3.994 3.960 -0.000 0.000 0.256 490 G HA3 0.034 3.994 3.960 -0.000 0.000 0.256 490 G C 0.519 175.253 174.900 -0.276 0.000 1.259 490 G CA -0.153 44.748 45.100 -0.332 0.000 0.943 490 G HN 0.602 nan 8.290 nan 0.000 0.479 491 L N 2.255 123.265 121.223 -0.355 0.000 2.062 491 L HA 0.319 4.659 4.340 -0.000 0.000 0.202 491 L C 1.696 178.460 176.870 -0.177 0.000 1.079 491 L CA 0.942 55.660 54.840 -0.203 0.000 0.755 491 L CB -0.132 41.827 42.059 -0.167 0.000 0.913 491 L HN 0.747 nan 8.230 nan 0.000 0.445 492 R N -1.939 118.429 120.500 -0.221 0.000 2.712 492 R HA 0.405 4.745 4.340 -0.000 0.000 0.272 492 R C -1.544 174.634 176.300 -0.202 0.000 1.032 492 R CA -0.875 55.123 56.100 -0.170 0.000 0.874 492 R CB 1.357 31.589 30.300 -0.114 0.000 1.256 492 R HN -0.261 nan 8.270 nan 0.000 0.468 493 V N 2.890 122.707 119.914 -0.162 0.000 2.555 493 V HA 0.117 4.237 4.120 -0.000 0.000 0.286 493 V C 1.323 177.272 176.094 -0.242 0.000 1.044 493 V CA -0.127 62.074 62.300 -0.164 0.000 1.026 493 V CB 1.050 32.809 31.823 -0.107 0.000 0.981 493 V HN 0.638 nan 8.190 nan 0.000 0.480 494 L N 2.683 123.696 121.223 -0.351 0.000 2.200 494 L HA 0.327 4.667 4.340 -0.000 0.000 0.200 494 L C 0.692 177.230 176.870 -0.553 0.000 1.072 494 L CA 0.632 55.046 54.840 -0.711 0.000 0.787 494 L CB 0.210 41.543 42.059 -1.211 0.000 0.957 494 L HN 0.660 nan 8.230 nan 0.000 0.459 495 E N -0.160 119.871 120.200 -0.282 0.000 2.311 495 E HA 0.113 4.463 4.350 -0.000 0.000 0.281 495 E C -1.232 175.370 176.600 0.004 0.000 0.905 495 E CA -0.328 56.007 56.400 -0.109 0.000 0.778 495 E CB 1.207 30.841 29.700 -0.110 0.000 1.240 495 E HN 0.174 nan 8.360 nan 0.000 0.410 496 D N 3.162 123.556 120.400 -0.010 0.000 2.469 496 D HA 0.140 4.780 4.640 -0.000 0.000 0.215 496 D C -0.233 176.062 176.300 -0.009 0.000 1.154 496 D CA -0.238 53.759 54.000 -0.004 0.000 0.832 496 D CB -0.008 40.777 40.800 -0.025 0.000 1.008 496 D HN 0.434 nan 8.370 nan 0.000 0.506 497 N N 0.353 119.056 118.700 0.004 0.000 2.714 497 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 497 N C 0.954 176.459 175.510 -0.009 0.000 1.117 497 N CA 0.968 54.019 53.050 0.000 0.000 0.719 497 N CB -1.473 37.003 38.487 -0.018 0.000 1.081 497 N HN 0.459 nan 8.380 nan 0.000 0.557 498 S N -1.069 114.628 115.700 -0.006 0.000 2.400 498 S HA -0.094 4.376 4.470 -0.000 0.000 0.232 498 S C 2.132 176.741 174.600 0.016 0.000 1.025 498 S CA 1.147 59.346 58.200 -0.002 0.000 0.993 498 S CB -0.244 62.955 63.200 -0.002 0.000 0.808 498 S HN 0.543 nan 8.310 nan 0.000 0.478 499 A N 2.122 124.957 122.820 0.025 0.000 1.892 499 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 499 A C 2.239 179.860 177.584 0.061 0.000 1.188 499 A CA 1.814 53.875 52.037 0.041 0.000 0.631 499 A CB -0.935 18.090 19.000 0.041 0.000 0.822 499 A HN 0.508 nan 8.150 nan 0.000 0.447 500 L N 0.144 121.405 121.223 0.062 0.000 2.093 500 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 500 L C 2.039 178.954 176.870 0.075 0.000 1.085 500 L CA 2.544 57.443 54.840 0.097 0.000 0.755 500 L CB -0.625 41.484 42.059 0.083 0.000 0.904 500 L HN 0.535 nan 8.230 nan 0.000 0.435 501 D N -0.558 119.854 120.400 0.021 0.000 2.104 501 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 501 D C 1.854 178.174 176.300 0.033 0.000 0.994 501 D CA 1.079 55.081 54.000 0.003 0.000 0.830 501 D CB 0.264 41.051 40.800 -0.022 0.000 0.959 501 D HN 0.178 nan 8.370 nan 0.000 0.452 502 K N 0.240 120.666 120.400 0.044 0.000 2.097 502 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 502 K C 2.032 178.684 176.600 0.087 0.000 1.049 502 K CA 0.477 56.797 56.287 0.054 0.000 0.933 502 K CB -0.563 31.965 32.500 0.047 0.000 0.717 502 K HN 0.227 nan 8.250 nan 0.000 0.442 503 M N 0.439 120.113 119.600 0.124 0.000 2.117 503 M HA -0.050 4.430 4.480 -0.000 0.000 0.262 503 M C 1.755 178.197 176.300 0.236 0.000 1.065 503 M CA 1.375 56.804 55.300 0.215 0.000 1.114 503 M CB -0.171 32.598 32.600 0.281 0.000 1.361 503 M HN 0.011 nan 8.290 nan 0.000 0.408 504 L N -0.463 120.840 121.223 0.132 0.000 2.341 504 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 504 L C 2.172 179.055 176.870 0.023 0.000 1.115 504 L CA 0.582 55.436 54.840 0.025 0.000 0.820 504 L CB -0.703 41.357 42.059 0.001 0.000 0.944 504 L HN 0.461 nan 8.230 nan 0.000 0.452 505 Q N -0.697 119.130 119.800 0.045 0.000 2.488 505 Q HA -0.115 4.225 4.340 -0.000 0.000 0.211 505 Q C 0.855 176.885 176.000 0.050 0.000 0.967 505 Q CA 0.898 56.724 55.803 0.038 0.000 0.926 505 Q CB -0.412 28.346 28.738 0.034 0.000 0.992 505 Q HN 0.567 nan 8.270 nan 0.000 0.506 506 N N 0.707 119.450 118.700 0.072 0.000 2.314 506 N HA 0.116 4.856 4.740 -0.000 0.000 0.200 506 N C -0.789 174.770 175.510 0.081 0.000 1.135 506 N CA -0.090 53.010 53.050 0.084 0.000 0.835 506 N CB 1.275 39.828 38.487 0.109 0.000 0.989 506 N HN 0.076 nan 8.380 nan 0.000 0.478 507 V N 0.626 120.566 119.914 0.043 0.000 2.789 507 V HA 0.208 4.328 4.120 -0.000 0.000 0.311 507 V C -1.187 174.907 176.094 -0.001 0.000 1.073 507 V CA -0.738 61.574 62.300 0.021 0.000 0.921 507 V CB 2.212 34.009 31.823 -0.043 0.000 1.009 507 V HN 0.026 nan 8.190 nan 0.000 0.426 508 Q N 6.327 126.129 119.800 0.003 0.000 2.664 508 Q HA 0.346 4.686 4.340 -0.000 0.000 0.223 508 Q C -0.301 175.645 176.000 -0.089 0.000 1.298 508 Q CA -0.120 55.652 55.803 -0.052 0.000 0.965 508 Q CB 0.444 29.144 28.738 -0.063 0.000 1.510 508 Q HN 0.604 nan 8.270 nan 0.000 0.567 509 M N 3.368 122.912 119.600 -0.094 0.000 2.242 509 M HA 0.299 4.779 4.480 -0.000 0.000 0.344 509 M C -2.001 174.209 176.300 -0.149 0.000 1.140 509 M CA -2.419 52.809 55.300 -0.120 0.000 1.160 509 M CB -0.115 32.423 32.600 -0.102 0.000 1.491 509 M HN 0.281 nan 8.290 nan 0.000 0.459 510 P HA 0.172 nan 4.420 nan 0.000 0.274 510 P C -0.584 176.608 177.300 -0.179 0.000 1.237 510 P CA -0.316 62.667 63.100 -0.196 0.000 0.793 510 P CB 0.523 32.089 31.700 -0.223 0.000 0.977 511 S N 0.434 116.021 115.700 -0.188 0.000 2.745 511 S HA 0.570 5.040 4.470 -0.000 0.000 0.292 511 S C -0.396 174.092 174.600 -0.186 0.000 1.133 511 S CA -0.675 57.430 58.200 -0.158 0.000 0.998 511 S CB 1.342 64.463 63.200 -0.133 0.000 1.087 511 S HN 0.495 nan 8.310 nan 0.000 0.551 512 K N 0.257 120.573 120.400 -0.139 0.000 2.426 512 K HA 0.456 4.776 4.320 -0.000 0.000 0.254 512 K C -1.412 175.124 176.600 -0.106 0.000 0.936 512 K CA -0.543 55.666 56.287 -0.129 0.000 0.801 512 K CB 1.360 33.802 32.500 -0.097 0.000 1.139 512 K HN 0.683 nan 8.250 nan 0.000 0.424 513 K N 4.863 125.192 120.400 -0.118 0.000 2.274 513 K HA 0.353 4.673 4.320 -0.000 0.000 0.262 513 K C -1.489 175.066 176.600 -0.075 0.000 0.961 513 K CA -0.791 55.440 56.287 -0.094 0.000 0.833 513 K CB 1.009 33.438 32.500 -0.117 0.000 1.102 513 K HN 0.456 nan 8.250 nan 0.000 0.436 514 L N 4.296 125.484 121.223 -0.058 0.000 2.356 514 L HA 0.596 4.936 4.340 -0.000 0.000 0.277 514 L C -1.550 175.293 176.870 -0.045 0.000 0.996 514 L CA -0.059 54.767 54.840 -0.023 0.000 0.822 514 L CB 1.435 43.550 42.059 0.093 0.000 1.256 514 L HN 0.899 nan 8.230 nan 0.000 0.413 515 D N 3.270 123.499 120.400 -0.284 0.000 2.738 515 D HA 0.431 5.071 4.640 -0.000 0.000 0.308 515 D C -1.549 174.336 176.300 -0.692 0.000 1.311 515 D CA -0.015 53.676 54.000 -0.515 0.000 0.799 515 D CB 1.974 42.402 40.800 -0.620 0.000 1.332 515 D HN 0.294 nan 8.370 nan 0.000 0.441 516 F N 0.104 119.634 119.950 -0.700 0.000 2.593 516 F HA 0.770 5.297 4.527 -0.000 0.000 0.320 516 F C -0.322 175.531 175.800 0.088 0.000 1.060 516 F CA -1.070 56.651 58.000 -0.466 0.000 0.940 516 F CB 0.862 39.172 39.000 -1.149 0.000 1.268 516 F HN 0.275 nan 8.300 nan 0.000 0.475 517 I N -0.051 120.795 120.570 0.461 0.000 2.797 517 I HA 0.706 4.876 4.170 -0.000 0.000 0.307 517 I C -1.310 175.056 176.117 0.415 0.000 1.033 517 I CA -1.201 60.316 61.300 0.361 0.000 1.071 517 I CB 2.248 40.436 38.000 0.313 0.000 1.255 517 I HN 0.642 nan 8.210 nan 0.000 0.445 518 I N 4.429 125.181 120.570 0.303 0.000 2.336 518 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 518 I C -0.623 175.646 176.117 0.253 0.000 0.991 518 I CA -0.366 61.093 61.300 0.266 0.000 1.227 518 I CB 1.470 39.583 38.000 0.187 0.000 1.366 518 I HN 0.384 nan 8.210 nan 0.000 0.466 519 L N 6.266 127.697 121.223 0.347 0.000 2.362 519 L HA 0.386 4.726 4.340 -0.000 0.000 0.275 519 L C -0.456 176.550 176.870 0.226 0.000 0.998 519 L CA -1.194 53.815 54.840 0.280 0.000 0.820 519 L CB 1.671 43.908 42.059 0.297 0.000 1.270 519 L HN 0.711 nan 8.230 nan 0.000 0.415 520 N N 3.231 122.004 118.700 0.121 0.000 2.984 520 N HA -0.279 4.461 4.740 -0.000 0.000 0.307 520 N C 0.238 175.794 175.510 0.076 0.000 1.085 520 N CA 0.935 54.031 53.050 0.077 0.000 0.820 520 N CB -0.619 37.894 38.487 0.044 0.000 0.977 520 N HN 0.741 nan 8.380 nan 0.000 0.615 521 E N -3.527 116.710 120.200 0.061 0.000 4.706 521 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 521 E C -0.396 176.208 176.600 0.008 0.000 0.898 521 E CA 2.107 58.526 56.400 0.031 0.000 2.363 521 E CB -1.923 27.786 29.700 0.014 0.000 1.684 521 E HN 0.747 nan 8.360 nan 0.000 0.549 522 T N 3.474 118.036 114.554 0.013 0.000 2.882 522 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 522 T C 0.355 174.922 174.700 -0.222 0.000 0.992 522 T CA -0.578 61.431 62.100 -0.152 0.000 1.076 522 T CB 1.532 70.246 68.868 -0.258 0.000 0.961 522 T HN 0.122 nan 8.240 nan 0.000 0.490 523 K N 2.438 122.635 120.400 -0.337 0.000 2.258 523 K HA 0.446 4.766 4.320 -0.000 0.000 0.284 523 K C -1.356 174.987 176.600 -0.429 0.000 1.051 523 K CA -0.409 55.696 56.287 -0.304 0.000 0.923 523 K CB 0.561 32.751 32.500 -0.517 0.000 1.046 523 K HN 0.433 nan 8.250 nan 0.000 0.474 524 F N 2.037 122.037 119.950 0.083 0.000 2.477 524 F HA 0.309 4.836 4.527 -0.000 0.000 0.335 524 F C -0.711 175.150 175.800 0.103 0.000 1.130 524 F CA -0.882 57.178 58.000 0.100 0.000 0.948 524 F CB 1.156 40.219 39.000 0.105 0.000 1.154 524 F HN 0.516 nan 8.300 nan 0.000 0.439 525 W N 4.025 125.440 121.300 0.191 0.000 2.316 525 W HA 0.470 5.130 4.660 -0.000 0.000 0.321 525 W C -0.538 176.109 176.519 0.213 0.000 1.203 525 W CA -0.580 56.891 57.345 0.209 0.000 1.214 525 W CB 0.579 30.115 29.460 0.127 0.000 1.169 525 W HN 0.430 nan 8.180 nan 0.000 0.561 526 Y N -0.037 120.543 120.300 0.466 0.000 2.609 526 Y HA 0.699 5.249 4.550 -0.000 0.000 0.342 526 Y C -0.948 175.161 175.900 0.349 0.000 1.058 526 Y CA -1.896 56.485 58.100 0.467 0.000 1.055 526 Y CB 1.203 40.102 38.460 0.731 0.000 1.292 526 Y HN 0.568 nan 8.280 nan 0.000 0.476 527 Q N 2.288 122.352 119.800 0.440 0.000 2.397 527 Q HA 0.732 5.072 4.340 -0.000 0.000 0.275 527 Q C -1.789 174.346 176.000 0.224 0.000 1.090 527 Q CA -1.153 54.782 55.803 0.221 0.000 0.809 527 Q CB 3.286 32.104 28.738 0.132 0.000 1.362 527 Q HN 0.876 nan 8.270 nan 0.000 0.431 528 M N 2.620 122.267 119.600 0.077 0.000 2.263 528 M HA 0.442 4.922 4.480 -0.000 0.000 0.295 528 M C -1.311 174.899 176.300 -0.150 0.000 1.028 528 M CA -0.908 54.355 55.300 -0.062 0.000 0.921 528 M CB 2.090 34.608 32.600 -0.136 0.000 1.601 528 M HN 0.633 nan 8.290 nan 0.000 0.440 529 I N 5.344 125.815 120.570 -0.164 0.000 2.301 529 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 529 I C -0.489 175.439 176.117 -0.315 0.000 1.046 529 I CA -0.238 60.932 61.300 -0.217 0.000 1.282 529 I CB 0.083 37.976 38.000 -0.179 0.000 1.409 529 I HN 0.632 nan 8.210 nan 0.000 0.484 530 L N 8.397 129.375 121.223 -0.408 0.000 2.309 530 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 530 L C -2.162 174.471 176.870 -0.395 0.000 1.036 530 L CA -1.798 52.691 54.840 -0.585 0.000 0.806 530 L CB 1.307 42.797 42.059 -0.949 0.000 1.220 530 L HN 0.278 nan 8.230 nan 0.000 0.429 531 P HA 0.056 nan 4.420 nan 0.000 0.268 531 P C -2.473 174.736 177.300 -0.151 0.000 1.208 531 P CA -0.867 62.118 63.100 -0.191 0.000 0.777 531 P CB -0.260 31.386 31.700 -0.090 0.000 0.875 532 P HA 0.017 nan 4.420 nan 0.000 0.272 532 P C -0.428 176.711 177.300 -0.267 0.000 1.223 532 P CA 0.165 63.082 63.100 -0.304 0.000 0.784 532 P CB -0.052 31.355 31.700 -0.488 0.000 0.923 533 H N -2.602 116.503 119.070 0.058 0.000 2.862 533 H HA -0.213 4.343 4.556 -0.000 0.000 0.290 533 H C -0.074 175.320 175.328 0.110 0.000 1.211 533 H CA -0.310 55.779 56.048 0.068 0.000 1.140 533 H CB -2.574 27.221 29.762 0.055 0.000 1.341 533 H HN 0.300 nan 8.280 nan 0.000 0.392 534 F N 2.773 122.720 119.950 -0.004 0.000 2.593 534 F HA 0.066 4.593 4.527 -0.000 0.000 0.393 534 F C 0.521 176.333 175.800 0.021 0.000 1.037 534 F CA -0.114 57.838 58.000 -0.081 0.000 1.195 534 F CB 0.382 39.223 39.000 -0.265 0.000 1.034 534 F HN 0.258 nan 8.300 nan 0.000 0.552 535 D N 5.637 125.774 120.400 -0.439 0.000 2.453 535 D HA 0.158 4.798 4.640 -0.000 0.000 0.238 535 D C 0.507 176.456 176.300 -0.585 0.000 1.088 535 D CA -0.674 53.093 54.000 -0.388 0.000 0.854 535 D CB 1.220 41.947 40.800 -0.121 0.000 1.076 535 D HN 0.541 nan 8.370 nan 0.000 0.533 536 K N 0.961 120.973 120.400 -0.646 0.000 2.442 536 K HA -0.024 4.296 4.320 -0.000 0.000 0.198 536 K C 1.450 178.010 176.600 -0.067 0.000 1.044 536 K CA 0.660 56.733 56.287 -0.356 0.000 0.948 536 K CB -0.114 32.334 32.500 -0.087 0.000 0.762 536 K HN 0.051 nan 8.250 nan 0.000 0.472 537 S N 0.404 116.043 115.700 -0.101 0.000 2.387 537 S HA -0.012 4.458 4.470 -0.000 0.000 0.226 537 S C 0.436 174.998 174.600 -0.064 0.000 1.026 537 S CA 0.620 58.785 58.200 -0.058 0.000 0.972 537 S CB -0.049 63.110 63.200 -0.068 0.000 0.814 537 S HN 0.370 nan 8.310 nan 0.000 0.477 538 K N 1.447 121.780 120.400 -0.112 0.000 2.168 538 K HA 0.267 4.587 4.320 -0.000 0.000 0.258 538 K C -0.372 176.136 176.600 -0.152 0.000 1.010 538 K CA 0.024 56.184 56.287 -0.211 0.000 0.929 538 K CB 0.513 32.755 32.500 -0.429 0.000 0.998 538 K HN 0.027 nan 8.250 nan 0.000 0.479 539 K N 2.240 122.520 120.400 -0.200 0.000 2.265 539 K HA 0.233 4.553 4.320 -0.000 0.000 0.267 539 K C -1.107 175.384 176.600 -0.182 0.000 0.994 539 K CA -0.456 55.783 56.287 -0.079 0.000 0.860 539 K CB 0.781 33.246 32.500 -0.058 0.000 1.099 539 K HN 0.375 nan 8.250 nan 0.000 0.448 540 Y N 3.093 123.426 120.300 0.054 0.000 2.387 540 Y HA 0.254 4.804 4.550 -0.000 0.000 0.330 540 Y C -1.885 173.954 175.900 -0.101 0.000 1.133 540 Y CA -2.491 55.612 58.100 0.006 0.000 1.152 540 Y CB 0.797 39.320 38.460 0.105 0.000 1.215 540 Y HN 0.479 nan 8.280 nan 0.000 0.466 541 P HA 0.177 nan 4.420 nan 0.000 0.275 541 P C -1.141 176.023 177.300 -0.227 0.000 1.228 541 P CA -0.205 62.618 63.100 -0.463 0.000 0.786 541 P CB 1.476 32.501 31.700 -1.126 0.000 0.927 542 L N 3.309 124.447 121.223 -0.142 0.000 2.362 542 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 542 L C -1.118 175.916 176.870 0.273 0.000 0.998 542 L CA -0.915 53.974 54.840 0.081 0.000 0.820 542 L CB 1.626 43.745 42.059 0.100 0.000 1.270 542 L HN 0.223 nan 8.230 nan 0.000 0.415 543 L N 6.321 127.721 121.223 0.296 0.000 2.294 543 L HA 0.401 4.741 4.340 -0.000 0.000 0.283 543 L C -1.166 175.927 176.870 0.372 0.000 1.015 543 L CA -0.735 54.339 54.840 0.389 0.000 0.831 543 L CB 1.569 43.816 42.059 0.314 0.000 1.217 543 L HN 0.668 nan 8.230 nan 0.000 0.420 544 L N 5.605 127.093 121.223 0.441 0.000 2.325 544 L HA 0.268 4.608 4.340 -0.000 0.000 0.284 544 L C -0.134 176.974 176.870 0.396 0.000 1.089 544 L CA 0.305 55.399 54.840 0.424 0.000 0.836 544 L CB 0.525 42.875 42.059 0.484 0.000 1.184 544 L HN 0.523 nan 8.230 nan 0.000 0.444 545 D N 4.504 125.113 120.400 0.349 0.000 2.313 545 D HA 0.270 4.910 4.640 -0.000 0.000 0.239 545 D C -1.050 175.340 176.300 0.150 0.000 1.142 545 D CA -0.014 54.127 54.000 0.235 0.000 0.847 545 D CB 1.461 42.464 40.800 0.339 0.000 1.082 545 D HN 0.336 nan 8.370 nan 0.000 0.480 546 V N 5.458 125.381 119.914 0.015 0.000 2.769 546 V HA 0.424 4.544 4.120 -0.000 0.000 0.312 546 V C -0.984 175.226 176.094 0.193 0.000 1.061 546 V CA -0.417 61.960 62.300 0.128 0.000 0.931 546 V CB 1.766 33.658 31.823 0.115 0.000 1.010 546 V HN 0.670 nan 8.190 nan 0.000 0.433 547 Y N 4.698 125.074 120.300 0.126 0.000 3.105 547 Y HA 0.551 5.101 4.550 -0.000 0.000 0.216 547 Y C 1.611 177.661 175.900 0.250 0.000 0.943 547 Y CA 1.327 59.532 58.100 0.175 0.000 1.535 547 Y CB 0.110 38.655 38.460 0.142 0.000 1.475 547 Y HN 1.009 nan 8.280 nan 0.000 0.435 548 A N 0.686 123.671 122.820 0.275 0.000 2.861 548 A HA -0.163 4.157 4.320 -0.000 0.000 0.261 548 A C 0.965 178.482 177.584 -0.112 0.000 1.351 548 A CA 0.921 53.056 52.037 0.162 0.000 0.904 548 A CB -2.385 16.750 19.000 0.225 0.000 1.076 548 A HN 0.865 nan 8.150 nan 0.000 0.729 549 G N -0.323 108.220 108.800 -0.428 0.000 2.527 549 G HA2 0.490 4.450 3.960 -0.000 0.000 0.248 549 G HA3 0.490 4.450 3.960 -0.000 0.000 0.248 549 G C -1.868 172.738 174.900 -0.490 0.000 1.231 549 G CA -0.701 43.719 45.100 -1.133 0.000 0.838 549 G HN 0.364 nan 8.290 nan 0.000 0.570 550 P HA -0.037 nan 4.420 nan 0.000 0.258 550 P C 0.727 177.879 177.300 -0.246 0.000 1.172 550 P CA 0.290 63.108 63.100 -0.471 0.000 0.762 550 P CB 0.541 31.542 31.700 -1.164 0.000 0.764 551 C N 2.534 121.755 119.300 -0.131 0.000 4.475 551 C HA -0.147 4.313 4.460 -0.000 0.000 0.280 551 C C 1.016 175.993 174.990 -0.021 0.000 1.338 551 C CA 1.080 59.974 59.018 -0.207 0.000 1.893 551 C CB -2.607 24.850 27.740 -0.471 0.000 1.299 551 C HN 0.797 nan 8.230 nan 0.000 0.767 552 S N 0.015 115.777 115.700 0.104 0.000 2.632 552 S HA 0.592 5.062 4.470 -0.000 0.000 0.267 552 S C -0.596 174.151 174.600 0.245 0.000 1.276 552 S CA -0.064 58.291 58.200 0.258 0.000 0.998 552 S CB 1.682 65.102 63.200 0.366 0.000 0.953 552 S HN 0.762 nan 8.310 nan 0.000 0.547 553 Q N 0.002 119.984 119.800 0.303 0.000 2.374 553 Q HA 0.321 4.661 4.340 -0.000 0.000 0.250 553 Q C -0.667 175.463 176.000 0.217 0.000 0.918 553 Q CA -0.550 55.427 55.803 0.291 0.000 0.778 553 Q CB 0.942 29.928 28.738 0.412 0.000 1.328 553 Q HN 0.646 nan 8.270 nan 0.000 0.445 554 K N 0.754 121.278 120.400 0.207 0.000 2.358 554 K HA 0.307 4.627 4.320 -0.000 0.000 0.197 554 K C -0.292 176.417 176.600 0.180 0.000 1.025 554 K CA 0.214 56.612 56.287 0.185 0.000 1.104 554 K CB 1.330 33.964 32.500 0.223 0.000 0.855 554 K HN 0.473 nan 8.250 nan 0.000 0.531 555 A N 2.756 125.691 122.820 0.191 0.000 2.412 555 A HA 0.384 4.704 4.320 -0.000 0.000 0.334 555 A C -0.767 176.894 177.584 0.128 0.000 1.419 555 A CA -0.569 51.583 52.037 0.192 0.000 0.930 555 A CB -0.045 19.123 19.000 0.279 0.000 1.149 555 A HN 0.230 nan 8.150 nan 0.000 0.515 556 D N -0.280 120.172 120.400 0.086 0.000 2.744 556 D HA 0.459 5.099 4.640 -0.000 0.000 0.304 556 D C 0.394 176.714 176.300 0.034 0.000 1.179 556 D CA 0.205 54.243 54.000 0.062 0.000 1.024 556 D CB 0.387 41.225 40.800 0.064 0.000 1.453 556 D HN 0.102 nan 8.370 nan 0.000 0.529 557 T N -2.313 112.280 114.554 0.065 0.000 3.223 557 T HA 0.325 4.675 4.350 -0.000 0.000 0.259 557 T C 0.286 174.965 174.700 -0.035 0.000 1.015 557 T CA -0.437 61.696 62.100 0.055 0.000 0.908 557 T CB -0.715 68.233 68.868 0.133 0.000 1.054 557 T HN 0.254 nan 8.240 nan 0.000 0.567 558 V N 2.634 122.435 119.914 -0.188 0.000 2.530 558 V HA 0.326 4.446 4.120 -0.000 0.000 0.282 558 V C 0.100 176.144 176.094 -0.084 0.000 1.048 558 V CA -1.099 61.048 62.300 -0.254 0.000 0.997 558 V CB 0.085 31.642 31.823 -0.443 0.000 0.987 558 V HN 0.587 nan 8.190 nan 0.000 0.477 559 F N 6.753 126.619 119.950 -0.140 0.000 2.506 559 F HA 0.428 4.955 4.527 -0.000 0.000 0.371 559 F C 0.634 176.384 175.800 -0.084 0.000 1.078 559 F CA 0.103 58.044 58.000 -0.098 0.000 1.195 559 F CB 0.106 39.059 39.000 -0.079 0.000 1.099 559 F HN 0.442 nan 8.300 nan 0.000 0.548 560 R N 5.237 125.335 120.500 -0.670 0.000 2.750 560 R HA 0.640 4.980 4.340 -0.000 0.000 0.281 560 R C -1.866 174.068 176.300 -0.610 0.000 0.972 560 R CA -1.285 54.553 56.100 -0.437 0.000 0.912 560 R CB 1.938 32.104 30.300 -0.223 0.000 1.187 560 R HN 0.525 nan 8.270 nan 0.000 0.464 561 L N 3.852 124.912 121.223 -0.271 0.000 2.454 561 L HA 0.347 4.687 4.340 -0.000 0.000 0.258 561 L C -1.174 175.721 176.870 0.042 0.000 1.025 561 L CA -0.354 54.363 54.840 -0.206 0.000 0.901 561 L CB 0.639 42.706 42.059 0.013 0.000 1.210 561 L HN 0.762 nan 8.230 nan 0.000 0.457 562 N N 0.431 119.078 118.700 -0.089 0.000 3.479 562 N HA 0.202 4.942 4.740 -0.000 0.000 0.336 562 N C 0.489 175.657 175.510 -0.569 0.000 1.623 562 N CA -0.766 52.148 53.050 -0.227 0.000 0.759 562 N CB -0.119 38.330 38.487 -0.063 0.000 2.016 562 N HN 0.207 nan 8.380 nan 0.000 0.637 563 W N 0.796 121.462 121.300 -1.058 0.000 2.335 563 W HA 0.092 4.752 4.660 -0.000 0.000 0.311 563 W C 2.192 178.629 176.519 -0.136 0.000 1.213 563 W CA 3.126 60.086 57.345 -0.642 0.000 1.274 563 W CB -1.117 28.093 29.460 -0.418 0.000 1.148 563 W HN 0.698 nan 8.180 nan 0.000 0.498 564 A N -0.122 122.629 122.820 -0.115 0.000 1.903 564 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 564 A C 1.954 179.399 177.584 -0.230 0.000 1.191 564 A CA 3.242 55.153 52.037 -0.210 0.000 0.638 564 A CB -1.478 17.487 19.000 -0.058 0.000 0.823 564 A HN 0.367 nan 8.150 nan 0.000 0.451 565 T N -1.314 113.124 114.554 -0.193 0.000 2.665 565 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 565 T C 1.795 176.482 174.700 -0.022 0.000 1.035 565 T CA 1.827 63.785 62.100 -0.235 0.000 1.151 565 T CB -0.559 67.990 68.868 -0.531 0.000 0.862 565 T HN 0.697 nan 8.240 nan 0.000 0.438 566 Y N 2.178 122.529 120.300 0.084 0.000 2.114 566 Y HA -0.056 4.494 4.550 -0.000 0.000 0.284 566 Y C 2.012 177.872 175.900 -0.067 0.000 1.143 566 Y CA 0.954 59.132 58.100 0.129 0.000 1.135 566 Y CB -0.816 37.716 38.460 0.119 0.000 0.980 566 Y HN 0.114 nan 8.280 nan 0.000 0.499 567 L N 0.353 121.094 121.223 -0.805 0.000 2.042 567 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 567 L C 2.852 179.439 176.870 -0.472 0.000 1.076 567 L CA 1.372 55.687 54.840 -0.875 0.000 0.749 567 L CB -1.072 40.516 42.059 -0.785 0.000 0.893 567 L HN 0.440 nan 8.230 nan 0.000 0.432 568 A N -0.986 121.638 122.820 -0.327 0.000 1.841 568 A HA -0.221 4.099 4.320 -0.000 0.000 0.214 568 A C 2.534 180.018 177.584 -0.167 0.000 1.195 568 A CA 1.957 53.860 52.037 -0.224 0.000 0.611 568 A CB -0.888 17.978 19.000 -0.223 0.000 0.835 568 A HN 0.339 nan 8.150 nan 0.000 0.443 569 S N -1.248 114.377 115.700 -0.125 0.000 2.368 569 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 569 S C 1.934 176.526 174.600 -0.015 0.000 1.030 569 S CA 2.359 60.529 58.200 -0.048 0.000 0.999 569 S CB -0.429 62.801 63.200 0.050 0.000 0.844 569 S HN 0.621 nan 8.310 nan 0.000 0.459 570 T N 0.924 115.458 114.554 -0.034 0.000 3.021 570 T HA 0.198 4.548 4.350 -0.000 0.000 0.245 570 T C 1.290 175.957 174.700 -0.055 0.000 1.028 570 T CA 0.425 62.533 62.100 0.015 0.000 1.139 570 T CB -0.059 68.927 68.868 0.196 0.000 0.884 570 T HN 0.321 nan 8.240 nan 0.000 0.457 571 E N 1.265 121.340 120.200 -0.208 0.000 2.474 571 E HA 0.195 4.544 4.350 -0.000 0.000 0.195 571 E C -0.066 176.507 176.600 -0.044 0.000 1.039 571 E CA -0.111 56.209 56.400 -0.133 0.000 0.881 571 E CB -0.227 29.336 29.700 -0.228 0.000 0.970 571 E HN 0.536 nan 8.360 nan 0.000 0.486 572 N N 0.588 119.270 118.700 -0.031 0.000 2.725 572 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 572 N C -0.702 174.876 175.510 0.115 0.000 1.103 572 N CA 0.258 53.355 53.050 0.079 0.000 0.707 572 N CB -1.241 37.342 38.487 0.160 0.000 1.043 572 N HN 0.211 nan 8.380 nan 0.000 0.553 573 I N 1.160 121.724 120.570 -0.011 0.000 2.353 573 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 573 I C 0.686 176.759 176.117 -0.073 0.000 0.992 573 I CA -0.706 60.593 61.300 -0.001 0.000 1.268 573 I CB 1.037 39.047 38.000 0.017 0.000 1.387 573 I HN 0.034 nan 8.210 nan 0.000 0.478 574 I N 6.651 127.184 120.570 -0.061 0.000 2.496 574 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 574 I C -0.349 175.732 176.117 -0.059 0.000 1.080 574 I CA -0.327 60.891 61.300 -0.136 0.000 1.404 574 I CB 0.814 38.732 38.000 -0.137 0.000 1.403 574 I HN 0.201 nan 8.210 nan 0.000 0.539 575 V N 6.483 126.346 119.914 -0.086 0.000 2.357 575 V HA 0.646 4.766 4.120 -0.000 0.000 0.284 575 V C 0.312 176.415 176.094 0.016 0.000 1.018 575 V CA -0.461 61.839 62.300 0.001 0.000 0.841 575 V CB 1.150 32.960 31.823 -0.022 0.000 0.991 575 V HN 0.857 nan 8.190 nan 0.000 0.437 576 A N 3.947 126.820 122.820 0.089 0.000 2.354 576 A HA 0.976 5.296 4.320 -0.000 0.000 0.321 576 A C -0.204 177.539 177.584 0.265 0.000 1.125 576 A CA -0.526 51.567 52.037 0.093 0.000 0.799 576 A CB 1.795 20.741 19.000 -0.089 0.000 1.293 576 A HN 0.714 nan 8.150 nan 0.000 0.452 577 S N -0.496 115.411 115.700 0.345 0.000 2.556 577 S HA 0.751 5.221 4.470 -0.000 0.000 0.271 577 S C -1.518 173.434 174.600 0.588 0.000 1.135 577 S CA -0.334 58.115 58.200 0.415 0.000 0.858 577 S CB 1.415 64.796 63.200 0.301 0.000 1.114 577 S HN 0.927 nan 8.310 nan 0.000 0.468 578 F N 1.561 121.743 119.950 0.387 0.000 2.596 578 F HA 0.486 5.013 4.527 -0.000 0.000 0.311 578 F C -1.789 174.207 175.800 0.327 0.000 1.116 578 F CA -0.578 57.670 58.000 0.414 0.000 0.957 578 F CB 1.527 40.740 39.000 0.354 0.000 1.250 578 F HN 0.409 nan 8.300 nan 0.000 0.444 579 D N 4.596 124.764 120.400 -0.386 0.000 2.473 579 D HA 0.378 5.018 4.640 -0.000 0.000 0.226 579 D C 0.333 176.434 176.300 -0.332 0.000 1.089 579 D CA 0.092 53.993 54.000 -0.166 0.000 0.883 579 D CB 1.523 42.365 40.800 0.069 0.000 1.029 579 D HN 0.773 nan 8.370 nan 0.000 0.517 580 G N 1.268 109.994 108.800 -0.122 0.000 2.641 580 G HA2 0.292 4.252 3.960 -0.000 0.000 0.239 580 G HA3 0.292 4.252 3.960 -0.000 0.000 0.239 580 G C 0.159 175.139 174.900 0.133 0.000 1.402 580 G CA -0.640 44.427 45.100 -0.054 0.000 1.046 580 G HN 0.245 nan 8.290 nan 0.000 0.565 581 R N -0.852 119.704 120.500 0.093 0.000 2.619 581 R HA 0.360 4.700 4.340 -0.000 0.000 0.268 581 R C 1.420 177.824 176.300 0.173 0.000 0.990 581 R CA 1.951 58.164 56.100 0.189 0.000 1.092 581 R CB 0.280 30.682 30.300 0.171 0.000 0.935 581 R HN 1.270 nan 8.270 nan 0.000 0.415 582 G N 1.117 110.007 108.800 0.150 0.000 2.241 582 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 582 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 582 G C 0.295 175.225 174.900 0.049 0.000 0.998 582 G CA 0.230 45.394 45.100 0.106 0.000 0.621 582 G HN 0.661 nan 8.290 nan 0.000 0.519 583 S N 0.935 116.679 115.700 0.073 0.000 2.559 583 S HA 0.468 4.938 4.470 -0.000 0.000 0.282 583 S C 1.023 175.591 174.600 -0.054 0.000 1.336 583 S CA 0.603 58.833 58.200 0.050 0.000 1.037 583 S CB 0.781 64.052 63.200 0.117 0.000 0.853 583 S HN 1.366 nan 8.310 nan 0.000 0.523 584 G N 0.366 109.070 108.800 -0.160 0.000 2.491 584 G HA2 0.529 4.489 3.960 -0.000 0.000 0.327 584 G HA3 0.529 4.489 3.960 -0.000 0.000 0.327 584 G C -1.076 173.607 174.900 -0.362 0.000 1.189 584 G CA -0.635 44.179 45.100 -0.476 0.000 0.956 584 G HN 0.837 nan 8.290 nan 0.000 0.491 585 Y N -2.411 117.873 120.300 -0.027 0.000 4.879 585 Y HA -0.206 4.344 4.550 -0.000 0.000 0.247 585 Y C 1.398 177.286 175.900 -0.021 0.000 0.985 585 Y CA 0.868 58.959 58.100 -0.016 0.000 2.000 585 Y CB -2.133 36.337 38.460 0.016 0.000 1.519 585 Y HN 0.559 nan 8.280 nan 0.000 0.613 586 Q N 0.035 119.833 119.800 -0.003 0.000 2.103 586 Q HA 0.524 4.864 4.340 -0.000 0.000 0.219 586 Q C 0.948 176.795 176.000 -0.254 0.000 0.784 586 Q CA 0.308 56.108 55.803 -0.006 0.000 1.014 586 Q CB 1.900 30.638 28.738 0.001 0.000 1.183 586 Q HN 0.611 nan 8.270 nan 0.000 0.469 587 G N 0.780 109.304 108.800 -0.459 0.000 2.663 587 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 587 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 587 G C -0.563 173.945 174.900 -0.654 0.000 1.246 587 G CA -0.523 44.048 45.100 -0.883 0.000 0.795 587 G HN 0.081 nan 8.290 nan 0.000 0.627 588 D N -0.014 119.965 120.400 -0.701 0.000 2.310 588 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 588 D C 2.131 178.144 176.300 -0.479 0.000 0.965 588 D CA 1.131 54.675 54.000 -0.760 0.000 0.879 588 D CB 0.108 40.384 40.800 -0.873 0.000 0.921 588 D HN 0.554 nan 8.370 nan 0.000 0.510 589 K N 0.443 120.629 120.400 -0.357 0.000 2.097 589 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 589 K C 2.025 178.552 176.600 -0.122 0.000 1.050 589 K CA 0.651 56.824 56.287 -0.189 0.000 0.938 589 K CB 0.077 32.487 32.500 -0.150 0.000 0.718 589 K HN 0.118 nan 8.250 nan 0.000 0.442 590 I N 0.351 120.828 120.570 -0.154 0.000 2.235 590 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 590 I C 2.657 178.757 176.117 -0.028 0.000 1.085 590 I CA 0.917 62.194 61.300 -0.039 0.000 1.378 590 I CB -0.219 37.762 38.000 -0.033 0.000 1.076 590 I HN 0.263 nan 8.210 nan 0.000 0.415 591 M N 0.335 119.843 119.600 -0.154 0.000 2.086 591 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 591 M C 1.977 178.310 176.300 0.056 0.000 1.067 591 M CA 2.011 57.250 55.300 -0.101 0.000 1.116 591 M CB -0.354 32.082 32.600 -0.273 0.000 1.348 591 M HN 0.244 nan 8.290 nan 0.000 0.407 592 H N -0.673 118.298 119.070 -0.164 0.000 2.553 592 H HA 0.154 4.710 4.556 -0.000 0.000 0.269 592 H C 1.780 177.132 175.328 0.039 0.000 1.011 592 H CA 0.043 56.017 56.048 -0.124 0.000 1.150 592 H CB 0.066 29.666 29.762 -0.270 0.000 1.339 592 H HN 0.521 nan 8.280 nan 0.000 0.604 593 A N 1.490 124.417 122.820 0.179 0.000 1.972 593 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 593 A C 2.093 179.866 177.584 0.316 0.000 1.169 593 A CA 1.059 53.221 52.037 0.209 0.000 0.635 593 A CB -0.588 18.509 19.000 0.162 0.000 0.810 593 A HN 0.591 nan 8.150 nan 0.000 0.446 594 I N -2.971 117.764 120.570 0.275 0.000 3.812 594 I HA 0.131 4.301 4.170 -0.000 0.000 0.320 594 I C 0.428 176.627 176.117 0.138 0.000 1.276 594 I CA -0.402 61.016 61.300 0.196 0.000 1.164 594 I CB -0.612 37.475 38.000 0.146 0.000 1.009 594 I HN 0.211 nan 8.210 nan 0.000 0.431 595 N N 3.061 121.890 118.700 0.214 0.000 2.359 595 N HA -0.089 4.651 4.740 -0.000 0.000 0.261 595 N C 0.240 175.772 175.510 0.037 0.000 1.267 595 N CA 0.374 53.543 53.050 0.199 0.000 0.864 595 N CB 0.334 38.910 38.487 0.149 0.000 1.063 595 N HN 0.425 nan 8.380 nan 0.000 0.474 596 R N 0.510 121.003 120.500 -0.012 0.000 4.010 596 R HA -0.200 4.140 4.340 -0.000 0.000 0.409 596 R C -0.211 175.934 176.300 -0.260 0.000 1.120 596 R CA 0.964 57.002 56.100 -0.103 0.000 1.244 596 R CB -0.872 29.389 30.300 -0.065 0.000 1.799 596 R HN 0.539 nan 8.270 nan 0.000 0.559 597 R N 0.917 121.257 120.500 -0.267 0.000 2.834 597 R HA 0.368 4.708 4.340 -0.000 0.000 0.362 597 R C -0.361 175.844 176.300 -0.158 0.000 1.147 597 R CA -0.240 55.563 56.100 -0.496 0.000 1.125 597 R CB 0.427 30.473 30.300 -0.424 0.000 1.361 597 R HN 0.097 nan 8.270 nan 0.000 0.598 598 L N -0.451 120.759 121.223 -0.021 0.000 2.483 598 L HA 0.156 4.496 4.340 -0.000 0.000 0.275 598 L C 1.353 178.459 176.870 0.394 0.000 1.220 598 L CA 0.972 55.885 54.840 0.123 0.000 0.833 598 L CB 0.426 42.382 42.059 -0.172 0.000 1.102 598 L HN 0.703 nan 8.230 nan 0.000 0.490 599 G N 0.703 109.778 108.800 0.457 0.000 2.168 599 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 599 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 599 G C 0.563 175.543 174.900 0.133 0.000 0.997 599 G CA 0.722 46.031 45.100 0.348 0.000 0.708 599 G HN 0.841 nan 8.290 nan 0.000 0.520 600 T N -3.123 111.469 114.554 0.064 0.000 3.274 600 T HA 0.455 4.805 4.350 -0.000 0.000 0.186 600 T C 1.687 176.344 174.700 -0.071 0.000 0.799 600 T CA 0.971 62.989 62.100 -0.136 0.000 1.611 600 T CB -0.129 68.453 68.868 -0.477 0.000 2.155 600 T HN 0.104 nan 8.240 nan 0.000 0.427 601 F N 3.267 123.262 119.950 0.074 0.000 2.216 601 F HA 0.102 4.629 4.527 -0.000 0.000 0.300 601 F C 2.791 178.626 175.800 0.058 0.000 1.085 601 F CA 0.956 58.987 58.000 0.051 0.000 1.326 601 F CB -0.706 38.322 39.000 0.046 0.000 1.027 601 F HN 0.522 nan 8.300 nan 0.000 0.497 602 E N 1.161 121.514 120.200 0.255 0.000 2.204 602 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 602 E C 2.196 178.899 176.600 0.172 0.000 0.989 602 E CA 1.650 58.178 56.400 0.214 0.000 0.824 602 E CB -1.019 28.814 29.700 0.222 0.000 0.756 602 E HN 0.380 nan 8.360 nan 0.000 0.477 603 V N -0.180 119.806 119.914 0.120 0.000 2.446 603 V HA -0.086 4.034 4.120 -0.000 0.000 0.244 603 V C 1.981 178.100 176.094 0.043 0.000 1.039 603 V CA 1.543 63.867 62.300 0.040 0.000 1.045 603 V CB -0.278 31.510 31.823 -0.059 0.000 0.681 603 V HN 0.058 nan 8.190 nan 0.000 0.459 604 E N 0.593 120.839 120.200 0.078 0.000 2.051 604 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 604 E C 1.966 178.586 176.600 0.034 0.000 0.991 604 E CA 1.876 58.321 56.400 0.074 0.000 0.799 604 E CB -0.240 29.546 29.700 0.143 0.000 0.748 604 E HN 0.644 nan 8.360 nan 0.000 0.449 605 D N 0.165 120.599 120.400 0.057 0.000 2.218 605 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 605 D C 1.896 178.143 176.300 -0.088 0.000 0.976 605 D CA 0.864 54.858 54.000 -0.010 0.000 0.853 605 D CB -0.134 40.713 40.800 0.079 0.000 0.939 605 D HN 0.041 nan 8.370 nan 0.000 0.481 606 Q N 0.180 120.003 119.800 0.039 0.000 2.079 606 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 606 Q C 2.129 178.132 176.000 0.005 0.000 0.974 606 Q CA 0.785 56.613 55.803 0.041 0.000 0.840 606 Q CB -0.145 28.664 28.738 0.119 0.000 0.898 606 Q HN 0.317 nan 8.270 nan 0.000 0.430 607 I N 0.247 120.846 120.570 0.048 0.000 2.179 607 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 607 I C 2.227 178.284 176.117 -0.100 0.000 1.088 607 I CA 1.120 62.492 61.300 0.120 0.000 1.357 607 I CB -0.337 37.733 38.000 0.117 0.000 1.051 607 I HN 0.192 nan 8.210 nan 0.000 0.409 608 E N 1.046 121.131 120.200 -0.191 0.000 2.085 608 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 608 E C 2.318 178.598 176.600 -0.532 0.000 0.994 608 E CA 1.538 57.759 56.400 -0.298 0.000 0.801 608 E CB -0.282 29.263 29.700 -0.258 0.000 0.743 608 E HN 0.494 nan 8.360 nan 0.000 0.453 609 A N 1.207 123.533 122.820 -0.824 0.000 1.892 609 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 609 A C 2.416 179.229 177.584 -1.284 0.000 1.188 609 A CA 2.530 53.737 52.037 -1.383 0.000 0.631 609 A CB -0.683 17.283 19.000 -1.723 0.000 0.822 609 A HN 0.300 nan 8.150 nan 0.000 0.447 610 A N -0.692 121.734 122.820 -0.656 0.000 1.969 610 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 610 A C 2.232 179.598 177.584 -0.362 0.000 1.169 610 A CA 1.348 53.157 52.037 -0.380 0.000 0.635 610 A CB -0.416 18.421 19.000 -0.272 0.000 0.810 610 A HN 0.560 nan 8.150 nan 0.000 0.445 611 R N -0.740 119.540 120.500 -0.366 0.000 2.075 611 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 611 R C 2.319 178.454 176.300 -0.276 0.000 1.126 611 R CA 1.350 57.284 56.100 -0.277 0.000 0.963 611 R CB -0.267 29.899 30.300 -0.224 0.000 0.858 611 R HN 0.530 nan 8.270 nan 0.000 0.435 612 Q N -0.096 119.473 119.800 -0.386 0.000 2.124 612 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 612 Q C 1.971 177.834 176.000 -0.230 0.000 0.977 612 Q CA 1.365 56.968 55.803 -0.335 0.000 0.850 612 Q CB -0.183 28.295 28.738 -0.434 0.000 0.901 612 Q HN 0.292 nan 8.270 nan 0.000 0.429 613 F N 0.883 120.665 119.950 -0.280 0.000 2.293 613 F HA -0.054 4.472 4.527 -0.000 0.000 0.300 613 F C 2.446 178.042 175.800 -0.339 0.000 1.086 613 F CA 0.547 58.361 58.000 -0.311 0.000 1.375 613 F CB -0.792 38.068 39.000 -0.235 0.000 1.045 613 F HN -0.057 nan 8.300 nan 0.000 0.516 614 S N -0.188 115.448 115.700 -0.107 0.000 2.387 614 S HA -0.108 4.362 4.470 -0.000 0.000 0.226 614 S C 2.001 176.498 174.600 -0.173 0.000 1.026 614 S CA 0.706 58.816 58.200 -0.150 0.000 0.972 614 S CB -0.093 63.020 63.200 -0.144 0.000 0.814 614 S HN 0.182 nan 8.310 nan 0.000 0.477 615 K N 1.585 121.889 120.400 -0.159 0.000 2.209 615 K HA 0.119 4.439 4.320 -0.000 0.000 0.204 615 K C 1.763 178.265 176.600 -0.164 0.000 1.048 615 K CA 0.890 57.094 56.287 -0.137 0.000 0.940 615 K CB -0.582 31.851 32.500 -0.111 0.000 0.729 615 K HN 0.404 nan 8.250 nan 0.000 0.451 616 M N -0.706 118.744 119.600 -0.251 0.000 2.279 616 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 616 M C 1.296 177.363 176.300 -0.388 0.000 1.062 616 M CA 1.750 56.840 55.300 -0.350 0.000 1.099 616 M CB -0.136 32.131 32.600 -0.554 0.000 1.394 616 M HN 0.480 nan 8.290 nan 0.000 0.426 617 G N -0.451 108.113 108.800 -0.393 0.000 2.213 617 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.226 617 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.226 617 G C 0.491 175.343 174.900 -0.079 0.000 0.992 617 G CA 0.199 45.192 45.100 -0.178 0.000 0.632 617 G HN 0.559 nan 8.290 nan 0.000 0.511 618 F N 0.529 120.538 119.950 0.099 0.000 2.639 618 F HA 0.755 5.282 4.527 -0.000 0.000 0.302 618 F C 0.179 176.098 175.800 0.199 0.000 1.097 618 F CA -1.363 56.739 58.000 0.169 0.000 1.294 618 F CB 0.128 39.307 39.000 0.297 0.000 1.027 618 F HN 0.062 nan 8.300 nan 0.000 0.550 619 V N 1.832 121.775 119.914 0.049 0.000 2.384 619 V HA 0.179 4.299 4.120 -0.000 0.000 0.287 619 V C -0.559 175.531 176.094 -0.007 0.000 1.020 619 V CA -0.850 61.491 62.300 0.069 0.000 0.850 619 V CB 1.307 33.113 31.823 -0.028 0.000 0.987 619 V HN 0.083 nan 8.190 nan 0.000 0.436 620 D N 4.402 124.796 120.400 -0.011 0.000 2.349 620 D HA -0.019 4.621 4.640 -0.000 0.000 0.266 620 D C 1.251 177.505 176.300 -0.077 0.000 1.293 620 D CA -0.052 53.910 54.000 -0.064 0.000 0.926 620 D CB 0.643 41.384 40.800 -0.099 0.000 1.090 620 D HN 0.652 nan 8.370 nan 0.000 0.502 621 N N 3.716 122.371 118.700 -0.076 0.000 2.550 621 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 621 N C 0.898 176.366 175.510 -0.071 0.000 1.110 621 N CA 0.620 53.618 53.050 -0.087 0.000 0.912 621 N CB -0.083 38.345 38.487 -0.098 0.000 0.968 621 N HN 0.376 nan 8.380 nan 0.000 0.448 622 K N -0.057 120.310 120.400 -0.055 0.000 2.366 622 K HA 0.122 4.442 4.320 -0.000 0.000 0.198 622 K C 0.179 176.780 176.600 0.001 0.000 1.044 622 K CA 0.404 56.675 56.287 -0.027 0.000 0.973 622 K CB 0.252 32.738 32.500 -0.024 0.000 0.767 622 K HN 0.205 nan 8.250 nan 0.000 0.475 623 R N 1.126 121.600 120.500 -0.044 0.000 2.651 623 R HA 0.346 4.686 4.340 -0.000 0.000 0.282 623 R C -0.950 175.311 176.300 -0.065 0.000 1.565 623 R CA -0.133 55.937 56.100 -0.051 0.000 1.661 623 R CB 0.639 30.748 30.300 -0.318 0.000 1.189 623 R HN -0.017 nan 8.270 nan 0.000 0.621 624 I N 1.342 121.983 120.570 0.119 0.000 2.362 624 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 624 I C 0.126 176.509 176.117 0.443 0.000 0.994 624 I CA -0.716 60.691 61.300 0.179 0.000 1.158 624 I CB 1.822 39.786 38.000 -0.060 0.000 1.315 624 I HN 0.320 nan 8.210 nan 0.000 0.451 625 A N 7.417 130.607 122.820 0.618 0.000 2.322 625 A HA 0.892 5.212 4.320 -0.000 0.000 0.327 625 A C -0.888 177.050 177.584 0.590 0.000 1.134 625 A CA -0.628 51.760 52.037 0.584 0.000 0.831 625 A CB 1.814 21.077 19.000 0.439 0.000 1.288 625 A HN 0.741 nan 8.150 nan 0.000 0.472 626 I N 0.950 121.801 120.570 0.468 0.000 2.722 626 I HA 0.673 4.843 4.170 -0.000 0.000 0.295 626 I C -1.828 174.546 176.117 0.429 0.000 1.161 626 I CA -0.629 60.883 61.300 0.354 0.000 1.032 626 I CB 1.656 39.618 38.000 -0.063 0.000 1.244 626 I HN 0.935 nan 8.210 nan 0.000 0.421 627 W N 7.175 128.607 121.300 0.221 0.000 3.137 627 W HA 0.829 5.489 4.660 -0.000 0.000 0.324 627 W C -1.615 175.052 176.519 0.248 0.000 1.253 627 W CA -0.986 56.497 57.345 0.229 0.000 1.183 627 W CB 1.214 30.859 29.460 0.308 0.000 1.424 627 W HN 0.801 nan 8.180 nan 0.000 0.566 628 G N 1.037 109.733 108.800 -0.174 0.000 2.579 628 G HA2 0.454 4.413 3.960 -0.000 0.000 0.292 628 G HA3 0.454 4.413 3.960 -0.000 0.000 0.292 628 G C -2.836 171.980 174.900 -0.139 0.000 1.484 628 G CA -0.694 44.152 45.100 -0.422 0.000 0.813 628 G HN 0.609 nan 8.290 nan 0.000 0.515 629 W N 1.270 122.413 121.300 -0.262 0.000 2.736 629 W HA 0.642 5.302 4.660 -0.000 0.000 0.335 629 W C 0.743 177.289 176.519 0.046 0.000 1.059 629 W CA 0.364 57.664 57.345 -0.075 0.000 1.226 629 W CB 1.939 31.364 29.460 -0.058 0.000 1.416 629 W HN 1.292 nan 8.180 nan 0.000 0.505 630 S N 2.351 118.300 115.700 0.415 0.000 4.064 630 S HA -0.421 4.049 4.470 -0.000 0.000 0.625 630 S C 1.079 175.774 174.600 0.157 0.000 2.010 630 S CA 1.619 60.073 58.200 0.423 0.000 4.186 630 S CB -1.813 61.795 63.200 0.680 0.000 0.211 630 S HN 0.736 nan 8.310 nan 0.000 0.605 631 Y N 2.259 122.510 120.300 -0.081 0.000 2.207 631 Y HA -0.012 4.538 4.550 -0.000 0.000 0.287 631 Y C 2.388 178.172 175.900 -0.194 0.000 1.156 631 Y CA 2.733 60.671 58.100 -0.270 0.000 1.182 631 Y CB -1.062 37.009 38.460 -0.648 0.000 0.979 631 Y HN 0.558 nan 8.280 nan 0.000 0.521 632 G N -0.975 107.806 108.800 -0.032 0.000 2.432 632 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 632 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 632 G C 1.935 176.852 174.900 0.029 0.000 1.135 632 G CA 0.762 45.902 45.100 0.067 0.000 0.767 632 G HN 0.590 nan 8.290 nan 0.000 0.550 633 G N 0.009 108.836 108.800 0.044 0.000 2.446 633 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 633 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 633 G C 1.616 176.523 174.900 0.011 0.000 1.168 633 G CA 1.187 46.300 45.100 0.022 0.000 0.771 633 G HN 0.438 nan 8.290 nan 0.000 0.551 634 Y N 1.329 121.511 120.300 -0.196 0.000 2.114 634 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 634 Y C 2.838 178.623 175.900 -0.192 0.000 1.143 634 Y CA 1.725 59.656 58.100 -0.281 0.000 1.135 634 Y CB -0.558 37.575 38.460 -0.547 0.000 0.980 634 Y HN 0.033 nan 8.280 nan 0.000 0.499 635 V N -0.079 119.682 119.914 -0.255 0.000 2.287 635 V HA -0.374 3.746 4.120 -0.000 0.000 0.248 635 V C 2.332 178.286 176.094 -0.232 0.000 1.053 635 V CA 2.518 64.667 62.300 -0.252 0.000 1.027 635 V CB -1.308 30.520 31.823 0.009 0.000 0.646 635 V HN 0.517 nan 8.190 nan 0.000 0.447 636 T N -0.155 114.321 114.554 -0.131 0.000 2.607 636 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 636 T C 2.139 176.754 174.700 -0.142 0.000 1.049 636 T CA 2.124 64.157 62.100 -0.112 0.000 1.162 636 T CB -0.400 68.482 68.868 0.023 0.000 0.863 636 T HN 0.498 nan 8.240 nan 0.000 0.424 637 S N 0.944 116.605 115.700 -0.066 0.000 2.374 637 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 637 S C 2.140 176.632 174.600 -0.181 0.000 1.037 637 S CA 1.116 59.298 58.200 -0.029 0.000 1.024 637 S CB -0.335 62.897 63.200 0.052 0.000 0.861 637 S HN 0.330 nan 8.310 nan 0.000 0.456 638 M N 0.572 119.977 119.600 -0.325 0.000 2.175 638 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 638 M C 2.195 178.303 176.300 -0.319 0.000 1.063 638 M CA 0.980 56.063 55.300 -0.361 0.000 1.119 638 M CB -1.328 30.948 32.600 -0.540 0.000 1.377 638 M HN 0.185 nan 8.290 nan 0.000 0.415 639 V N 0.771 120.487 119.914 -0.331 0.000 2.270 639 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 639 V C 2.501 178.355 176.094 -0.399 0.000 1.043 639 V CA 1.418 63.511 62.300 -0.345 0.000 1.014 639 V CB -0.590 30.944 31.823 -0.482 0.000 0.645 639 V HN 0.387 nan 8.190 nan 0.000 0.447 640 L N 0.451 121.376 121.223 -0.497 0.000 2.187 640 L HA -0.098 4.242 4.340 -0.000 0.000 0.213 640 L C 2.194 178.487 176.870 -0.963 0.000 1.100 640 L CA 1.573 56.034 54.840 -0.632 0.000 0.765 640 L CB -0.755 40.920 42.059 -0.639 0.000 0.904 640 L HN 0.484 nan 8.230 nan 0.000 0.437 641 G N -1.428 106.782 108.800 -0.984 0.000 3.233 641 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.227 641 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.227 641 G C 1.475 176.177 174.900 -0.330 0.000 1.175 641 G CA 0.559 45.201 45.100 -0.762 0.000 0.781 641 G HN 0.436 nan 8.290 nan 0.000 0.542 642 S N -0.740 114.795 115.700 -0.275 0.000 2.470 642 S HA 0.290 4.760 4.470 -0.000 0.000 0.225 642 S C 1.991 176.532 174.600 -0.099 0.000 1.006 642 S CA 1.040 59.151 58.200 -0.149 0.000 0.934 642 S CB -0.106 63.027 63.200 -0.111 0.000 0.778 642 S HN 1.343 nan 8.310 nan 0.000 0.517 643 G N 1.431 110.165 108.800 -0.110 0.000 2.148 643 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.254 643 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.254 643 G C 1.007 175.890 174.900 -0.029 0.000 0.981 643 G CA 0.990 46.052 45.100 -0.062 0.000 0.670 643 G HN 1.313 nan 8.290 nan 0.000 0.528 644 S N -0.476 115.219 115.700 -0.009 0.000 2.442 644 S HA 0.261 4.731 4.470 -0.000 0.000 0.236 644 S C 2.632 177.235 174.600 0.006 0.000 1.007 644 S CA 1.719 59.929 58.200 0.016 0.000 0.965 644 S CB -0.373 62.872 63.200 0.075 0.000 0.773 644 S HN 2.432 nan 8.310 nan 0.000 0.504 645 G N -0.089 108.720 108.800 0.016 0.000 2.189 645 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 645 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 645 G C 0.761 175.649 174.900 -0.021 0.000 0.975 645 G CA 0.484 45.586 45.100 0.002 0.000 0.644 645 G HN 0.731 nan 8.290 nan 0.000 0.537 646 V N -0.592 119.298 119.914 -0.040 0.000 2.788 646 V HA 0.323 4.443 4.120 -0.000 0.000 0.251 646 V C 1.003 176.856 176.094 -0.402 0.000 1.068 646 V CA 1.306 63.447 62.300 -0.265 0.000 1.090 646 V CB -0.278 31.292 31.823 -0.422 0.000 0.710 646 V HN 0.296 nan 8.190 nan 0.000 0.467 647 F N -0.301 119.658 119.950 0.014 0.000 2.469 647 F HA 0.429 4.956 4.527 -0.000 0.000 0.332 647 F C 1.021 176.863 175.800 0.071 0.000 1.103 647 F CA -0.669 57.367 58.000 0.061 0.000 0.979 647 F CB 1.615 40.652 39.000 0.061 0.000 1.137 647 F HN -0.285 nan 8.300 nan 0.000 0.463 648 K N 1.368 121.938 120.400 0.282 0.000 2.128 648 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 648 K C -0.081 176.655 176.600 0.227 0.000 1.050 648 K CA 0.877 57.290 56.287 0.210 0.000 0.966 648 K CB 0.287 32.905 32.500 0.196 0.000 0.759 648 K HN 0.791 nan 8.250 nan 0.000 0.454 649 c N -2.195 116.577 118.600 0.287 0.000 3.291 649 c HA 0.927 5.497 4.570 -0.000 0.000 0.316 649 c C -0.102 174.224 174.090 0.393 0.000 1.391 649 c CA -0.605 55.922 56.329 0.330 0.000 1.394 649 c CB 1.106 43.744 42.510 0.213 0.000 1.744 649 c HN 0.395 nan 8.230 nan 0.000 0.461 650 G N -0.100 108.991 108.800 0.486 0.000 2.601 650 G HA2 0.713 4.673 3.960 -0.000 0.000 0.291 650 G HA3 0.713 4.673 3.960 -0.000 0.000 0.291 650 G C -2.072 173.041 174.900 0.354 0.000 1.456 650 G CA -0.677 44.668 45.100 0.409 0.000 0.804 650 G HN 1.002 nan 8.290 nan 0.000 0.499 651 I N 0.711 121.464 120.570 0.305 0.000 2.512 651 I HA 0.572 4.742 4.170 -0.000 0.000 0.287 651 I C 0.117 176.360 176.117 0.210 0.000 1.069 651 I CA -0.926 60.443 61.300 0.114 0.000 1.056 651 I CB 2.189 40.233 38.000 0.073 0.000 1.229 651 I HN 0.684 nan 8.210 nan 0.000 0.429 652 A N 6.534 129.388 122.820 0.057 0.000 2.271 652 A HA 0.773 5.093 4.320 -0.000 0.000 0.317 652 A C -0.634 176.882 177.584 -0.113 0.000 1.245 652 A CA -0.485 51.585 52.037 0.055 0.000 0.857 652 A CB 1.039 20.127 19.000 0.147 0.000 1.175 652 A HN 0.445 nan 8.150 nan 0.000 0.512 653 V N 2.363 122.171 119.914 -0.177 0.000 2.370 653 V HA 0.545 4.665 4.120 -0.000 0.000 0.283 653 V C 0.899 176.619 176.094 -0.623 0.000 1.023 653 V CA 0.441 62.417 62.300 -0.539 0.000 0.857 653 V CB 0.646 31.889 31.823 -0.966 0.000 0.985 653 V HN 2.078 nan 8.190 nan 0.000 0.443 654 A N 5.766 128.198 122.820 -0.647 0.000 2.687 654 A HA -0.096 4.224 4.320 -0.000 0.000 0.299 654 A C -1.784 175.653 177.584 -0.246 0.000 1.497 654 A CA 0.352 51.919 52.037 -0.783 0.000 0.751 654 A CB -1.634 17.007 19.000 -0.599 0.000 1.048 654 A HN 0.609 nan 8.150 nan 0.000 0.464 655 P HA 0.409 nan 4.420 nan 0.000 0.277 655 P C 0.315 177.567 177.300 -0.081 0.000 1.240 655 P CA -0.143 62.925 63.100 -0.053 0.000 0.798 655 P CB 1.124 32.817 31.700 -0.012 0.000 0.979 656 V N 2.296 122.053 119.914 -0.261 0.000 2.740 656 V HA 0.031 4.151 4.120 -0.000 0.000 0.303 656 V C 1.807 177.689 176.094 -0.352 0.000 1.054 656 V CA 1.161 63.154 62.300 -0.512 0.000 1.106 656 V CB 0.501 31.565 31.823 -1.266 0.000 0.957 656 V HN 0.848 nan 8.190 nan 0.000 0.486 657 S N 3.816 119.339 115.700 -0.295 0.000 2.665 657 S HA 0.249 4.719 4.470 -0.000 0.000 0.240 657 S C 0.479 174.907 174.600 -0.288 0.000 1.081 657 S CA -0.434 57.668 58.200 -0.164 0.000 0.887 657 S CB 0.378 63.547 63.200 -0.052 0.000 0.805 657 S HN 0.825 nan 8.310 nan 0.000 0.486 658 R N -1.262 118.962 120.500 -0.461 0.000 2.698 658 R HA 0.566 4.906 4.340 -0.000 0.000 0.275 658 R C -0.822 175.175 176.300 -0.504 0.000 1.001 658 R CA -0.953 54.822 56.100 -0.541 0.000 0.896 658 R CB 0.262 30.240 30.300 -0.537 0.000 1.218 658 R HN 0.171 nan 8.270 nan 0.000 0.462 659 W N 0.892 122.105 121.300 -0.144 0.000 2.467 659 W HA 0.045 4.705 4.660 -0.000 0.000 0.275 659 W C 1.164 177.821 176.519 0.229 0.000 1.239 659 W CA 0.534 57.880 57.345 0.002 0.000 1.266 659 W CB 0.277 29.660 29.460 -0.128 0.000 1.112 659 W HN 0.750 nan 8.180 nan 0.000 0.576 660 E N -0.800 119.617 120.200 0.362 0.000 2.401 660 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 660 E C 1.272 178.043 176.600 0.285 0.000 1.023 660 E CA 0.941 57.483 56.400 0.237 0.000 0.859 660 E CB -0.195 29.530 29.700 0.042 0.000 0.780 660 E HN 0.355 nan 8.360 nan 0.000 0.523 661 Y N -1.753 118.643 120.300 0.160 0.000 2.503 661 Y HA 0.081 4.631 4.550 -0.000 0.000 0.278 661 Y C 0.738 176.725 175.900 0.146 0.000 1.111 661 Y CA -0.302 57.855 58.100 0.094 0.000 1.270 661 Y CB -0.321 38.138 38.460 -0.002 0.000 1.063 661 Y HN 0.018 nan 8.280 nan 0.000 0.548 662 Y N 1.845 122.300 120.300 0.258 0.000 2.418 662 Y HA 0.305 4.855 4.550 -0.000 0.000 0.327 662 Y C 0.232 176.349 175.900 0.362 0.000 1.309 662 Y CA -1.968 56.282 58.100 0.250 0.000 1.423 662 Y CB 0.317 38.950 38.460 0.290 0.000 1.423 662 Y HN 0.168 nan 8.280 nan 0.000 0.532 663 D N -0.611 119.527 120.400 -0.437 0.000 2.362 663 D HA 0.129 4.769 4.640 -0.000 0.000 0.242 663 D C 0.948 177.237 176.300 -0.019 0.000 1.132 663 D CA 0.293 54.125 54.000 -0.281 0.000 0.907 663 D CB 0.997 41.414 40.800 -0.638 0.000 1.195 663 D HN 0.497 nan 8.370 nan 0.000 0.429 664 S N 1.158 116.854 115.700 -0.006 0.000 2.351 664 S HA -0.244 4.226 4.470 -0.000 0.000 0.220 664 S C 1.930 176.560 174.600 0.049 0.000 1.035 664 S CA 1.318 59.560 58.200 0.071 0.000 1.031 664 S CB -1.097 62.149 63.200 0.076 0.000 0.928 664 S HN 0.431 nan 8.310 nan 0.000 0.433 665 V N 0.871 120.756 119.914 -0.049 0.000 2.255 665 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 665 V C 2.334 178.340 176.094 -0.146 0.000 1.051 665 V CA 2.315 64.496 62.300 -0.198 0.000 1.018 665 V CB -1.101 30.462 31.823 -0.434 0.000 0.641 665 V HN 0.605 nan 8.190 nan 0.000 0.445 666 Y N 1.233 121.455 120.300 -0.130 0.000 2.153 666 Y HA -0.207 4.343 4.550 -0.000 0.000 0.289 666 Y C 2.729 178.636 175.900 0.012 0.000 1.127 666 Y CA 2.256 60.355 58.100 -0.002 0.000 1.131 666 Y CB -0.617 38.003 38.460 0.267 0.000 0.995 666 Y HN 0.226 nan 8.280 nan 0.000 0.505 667 T N 0.322 115.100 114.554 0.374 0.000 2.652 667 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 667 T C 1.606 176.277 174.700 -0.047 0.000 1.039 667 T CA 1.994 64.234 62.100 0.232 0.000 1.153 667 T CB -0.345 68.803 68.868 0.466 0.000 0.863 667 T HN 0.414 nan 8.240 nan 0.000 0.428 668 E N 0.509 120.711 120.200 0.003 0.000 2.153 668 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 668 E C 2.352 178.819 176.600 -0.221 0.000 0.988 668 E CA 0.626 57.011 56.400 -0.024 0.000 0.811 668 E CB -0.139 29.596 29.700 0.059 0.000 0.746 668 E HN 0.292 nan 8.360 nan 0.000 0.466 669 R N -0.085 120.136 120.500 -0.466 0.000 2.140 669 R HA -0.235 4.105 4.340 -0.000 0.000 0.250 669 R C 1.308 177.031 176.300 -0.962 0.000 1.150 669 R CA 1.923 57.523 56.100 -0.834 0.000 0.966 669 R CB -0.113 29.342 30.300 -1.408 0.000 0.869 669 R HN 0.286 nan 8.270 nan 0.000 0.445 670 Y N -2.736 117.251 120.300 -0.523 0.000 2.462 670 Y HA 0.238 4.788 4.550 -0.000 0.000 0.253 670 Y C 1.645 177.346 175.900 -0.330 0.000 1.095 670 Y CA -0.081 57.713 58.100 -0.511 0.000 1.283 670 Y CB 0.491 38.520 38.460 -0.719 0.000 1.138 670 Y HN -0.027 nan 8.280 nan 0.000 0.522 671 M N -0.610 118.871 119.600 -0.197 0.000 2.304 671 M HA 0.374 4.854 4.480 -0.000 0.000 0.281 671 M C 1.175 177.480 176.300 0.009 0.000 1.014 671 M CA 0.832 56.009 55.300 -0.205 0.000 1.054 671 M CB -0.037 32.238 32.600 -0.540 0.000 1.551 671 M HN 0.337 nan 8.290 nan 0.000 0.548 672 G N 2.043 110.867 108.800 0.041 0.000 2.569 672 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.259 672 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.259 672 G C -0.753 174.294 174.900 0.245 0.000 1.263 672 G CA -0.698 44.469 45.100 0.112 0.000 0.928 672 G HN 0.247 nan 8.290 nan 0.000 0.572 673 L N 2.529 123.862 121.223 0.185 0.000 2.325 673 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 673 L C -1.437 175.434 176.870 0.001 0.000 1.054 673 L CA -1.841 53.057 54.840 0.095 0.000 0.804 673 L CB 1.436 43.516 42.059 0.036 0.000 1.200 673 L HN 0.416 nan 8.230 nan 0.000 0.436 674 P HA 0.129 nan 4.420 nan 0.000 0.218 674 P C -0.755 176.403 177.300 -0.238 0.000 1.793 674 P CA -0.190 62.517 63.100 -0.655 0.000 0.941 674 P CB -0.420 30.566 31.700 -1.190 0.000 1.919 675 T N -3.109 111.393 114.554 -0.087 0.000 2.908 675 T HA 0.481 4.831 4.350 -0.000 0.000 0.290 675 T C -2.279 172.424 174.700 0.004 0.000 1.034 675 T CA -2.524 59.553 62.100 -0.037 0.000 1.010 675 T CB 1.795 70.651 68.868 -0.021 0.000 1.068 675 T HN -0.295 nan 8.240 nan 0.000 0.481 676 P HA -0.058 nan 4.420 nan 0.000 0.218 676 P C 0.964 178.281 177.300 0.027 0.000 1.148 676 P CA 0.981 64.094 63.100 0.022 0.000 0.822 676 P CB 0.044 31.753 31.700 0.015 0.000 0.784 677 E N -1.199 119.013 120.200 0.020 0.000 2.268 677 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 677 E C 1.406 178.025 176.600 0.030 0.000 0.995 677 E CA 0.998 57.410 56.400 0.021 0.000 0.836 677 E CB -0.409 29.298 29.700 0.013 0.000 0.763 677 E HN 0.322 nan 8.360 nan 0.000 0.491 678 D N -0.840 119.585 120.400 0.042 0.000 2.970 678 D HA 0.111 4.751 4.640 -0.000 0.000 0.236 678 D C 0.137 176.490 176.300 0.089 0.000 1.415 678 D CA 0.073 54.109 54.000 0.060 0.000 1.279 678 D CB 0.075 40.914 40.800 0.065 0.000 0.932 678 D HN 0.008 nan 8.370 nan 0.000 0.216 679 N N 0.106 118.891 118.700 0.141 0.000 2.475 679 N HA 0.036 4.776 4.740 -0.000 0.000 0.272 679 N C 0.993 176.691 175.510 0.314 0.000 1.482 679 N CA -0.064 53.109 53.050 0.205 0.000 0.863 679 N CB 0.784 39.395 38.487 0.208 0.000 1.400 679 N HN 0.007 nan 8.380 nan 0.000 0.489 680 L N 1.093 122.430 121.223 0.190 0.000 2.043 680 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 680 L C 1.355 178.336 176.870 0.185 0.000 1.075 680 L CA 2.079 57.008 54.840 0.149 0.000 0.752 680 L CB -0.426 41.656 42.059 0.039 0.000 0.891 680 L HN 0.138 nan 8.230 nan 0.000 0.432 681 D N -1.560 118.928 120.400 0.147 0.000 2.116 681 D HA -0.255 4.385 4.640 -0.000 0.000 0.193 681 D C 2.110 178.496 176.300 0.144 0.000 0.998 681 D CA 1.812 55.885 54.000 0.122 0.000 0.836 681 D CB -0.094 40.766 40.800 0.101 0.000 0.951 681 D HN 0.607 nan 8.370 nan 0.000 0.449 682 H N -1.430 117.701 119.070 0.101 0.000 2.403 682 H HA -0.036 4.519 4.556 -0.000 0.000 0.298 682 H C 1.598 176.984 175.328 0.097 0.000 1.059 682 H CA 1.127 57.214 56.048 0.066 0.000 1.363 682 H CB -0.234 29.535 29.762 0.011 0.000 1.410 682 H HN 0.144 nan 8.280 nan 0.000 0.528 683 Y N 0.534 120.882 120.300 0.079 0.000 2.132 683 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 683 Y C 2.406 178.292 175.900 -0.023 0.000 1.193 683 Y CA 1.853 59.988 58.100 0.058 0.000 1.157 683 Y CB 0.041 38.545 38.460 0.074 0.000 0.966 683 Y HN 0.173 nan 8.280 nan 0.000 0.511 684 R N -0.574 120.000 120.500 0.124 0.000 2.119 684 R HA -0.052 4.288 4.340 -0.000 0.000 0.222 684 R C 1.595 177.875 176.300 -0.033 0.000 1.088 684 R CA 1.075 57.196 56.100 0.035 0.000 0.984 684 R CB -0.800 29.523 30.300 0.037 0.000 0.884 684 R HN 0.353 nan 8.270 nan 0.000 0.447 685 N N 0.301 118.945 118.700 -0.093 0.000 2.446 685 N HA -0.073 4.667 4.740 -0.000 0.000 0.179 685 N C 0.729 176.138 175.510 -0.168 0.000 1.054 685 N CA 0.832 53.808 53.050 -0.123 0.000 0.905 685 N CB 0.213 38.632 38.487 -0.112 0.000 0.973 685 N HN 0.129 nan 8.380 nan 0.000 0.448 686 S N -1.042 114.523 115.700 -0.224 0.000 2.573 686 S HA 0.108 4.578 4.470 -0.000 0.000 0.244 686 S C 0.458 175.088 174.600 0.049 0.000 0.984 686 S CA -0.689 57.441 58.200 -0.117 0.000 1.001 686 S CB -0.768 62.334 63.200 -0.163 0.000 0.788 686 S HN 0.191 nan 8.310 nan 0.000 0.456 687 T N -1.562 112.980 114.554 -0.020 0.000 2.913 687 T HA 0.497 4.847 4.350 -0.000 0.000 0.287 687 T C 1.315 176.001 174.700 -0.023 0.000 1.008 687 T CA -0.635 61.446 62.100 -0.033 0.000 1.067 687 T CB 1.347 70.165 68.868 -0.084 0.000 0.996 687 T HN -0.028 nan 8.240 nan 0.000 0.513 688 V N 2.258 122.155 119.914 -0.028 0.000 2.453 688 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 688 V C 2.753 178.816 176.094 -0.053 0.000 1.048 688 V CA 1.604 63.879 62.300 -0.042 0.000 1.049 688 V CB -0.895 30.898 31.823 -0.050 0.000 0.672 688 V HN 0.878 nan 8.190 nan 0.000 0.457 689 M N 1.388 120.940 119.600 -0.080 0.000 2.213 689 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 689 M C 2.313 178.582 176.300 -0.051 0.000 1.062 689 M CA 2.260 57.508 55.300 -0.087 0.000 1.105 689 M CB -2.041 30.513 32.600 -0.077 0.000 1.385 689 M HN 0.555 nan 8.290 nan 0.000 0.417 690 S N 0.313 115.990 115.700 -0.038 0.000 2.537 690 S HA -0.040 4.430 4.470 -0.000 0.000 0.240 690 S C 1.727 176.323 174.600 -0.007 0.000 0.981 690 S CA 0.576 58.761 58.200 -0.024 0.000 0.948 690 S CB -0.468 62.714 63.200 -0.029 0.000 0.759 690 S HN 0.613 nan 8.310 nan 0.000 0.531 691 R N -0.144 120.365 120.500 0.015 0.000 2.509 691 R HA 0.478 4.818 4.340 -0.000 0.000 0.300 691 R C 2.074 178.470 176.300 0.160 0.000 0.985 691 R CA 0.452 56.585 56.100 0.055 0.000 1.092 691 R CB -0.070 30.254 30.300 0.040 0.000 1.237 691 R HN 0.447 nan 8.270 nan 0.000 0.546 692 A N 1.234 124.106 122.820 0.087 0.000 1.917 692 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 692 A C 1.986 179.662 177.584 0.154 0.000 1.182 692 A CA 1.930 54.003 52.037 0.059 0.000 0.633 692 A CB -0.248 18.710 19.000 -0.070 0.000 0.819 692 A HN 0.282 nan 8.150 nan 0.000 0.448 693 E N 0.598 120.853 120.200 0.092 0.000 2.085 693 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 693 E C 1.586 178.238 176.600 0.087 0.000 0.994 693 E CA 1.912 58.357 56.400 0.074 0.000 0.801 693 E CB -0.560 29.164 29.700 0.039 0.000 0.743 693 E HN 0.776 nan 8.360 nan 0.000 0.453 694 N N -1.196 117.544 118.700 0.067 0.000 2.573 694 N HA -0.076 4.664 4.740 -0.000 0.000 0.187 694 N C 0.610 176.079 175.510 -0.068 0.000 1.107 694 N CA 0.232 53.269 53.050 -0.022 0.000 0.918 694 N CB -0.107 38.318 38.487 -0.104 0.000 0.966 694 N HN 0.144 nan 8.380 nan 0.000 0.448 695 F N 1.227 121.131 119.950 -0.077 0.000 2.748 695 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 695 F C 1.890 177.694 175.800 0.006 0.000 1.154 695 F CA 0.498 58.451 58.000 -0.079 0.000 1.446 695 F CB 0.100 39.010 39.000 -0.150 0.000 1.112 695 F HN -0.083 nan 8.300 nan 0.000 0.584 696 K N -0.084 120.412 120.400 0.160 0.000 2.281 696 K HA -0.159 4.161 4.320 -0.000 0.000 0.203 696 K C 1.436 178.095 176.600 0.097 0.000 1.046 696 K CA 0.944 57.305 56.287 0.123 0.000 0.938 696 K CB -0.059 32.492 32.500 0.085 0.000 0.737 696 K HN 0.326 nan 8.250 nan 0.000 0.458 697 Q N 0.018 119.855 119.800 0.062 0.000 2.319 697 Q HA 0.054 4.394 4.340 -0.000 0.000 0.202 697 Q C 0.608 176.646 176.000 0.064 0.000 0.896 697 Q CA 0.210 56.042 55.803 0.048 0.000 0.942 697 Q CB 0.672 29.419 28.738 0.017 0.000 1.083 697 Q HN 0.144 nan 8.270 nan 0.000 0.510 698 V N -2.451 117.516 119.914 0.088 0.000 2.962 698 V HA 0.528 4.648 4.120 -0.000 0.000 0.313 698 V C -0.667 175.569 176.094 0.236 0.000 1.099 698 V CA -1.276 61.103 62.300 0.133 0.000 0.971 698 V CB 2.299 34.161 31.823 0.064 0.000 1.028 698 V HN -0.024 nan 8.190 nan 0.000 0.430 699 E N 2.178 122.542 120.200 0.274 0.000 2.229 699 E HA 0.428 4.777 4.350 -0.000 0.000 0.283 699 E C -1.697 175.260 176.600 0.595 0.000 1.030 699 E CA -0.322 56.312 56.400 0.389 0.000 0.836 699 E CB 1.504 31.370 29.700 0.276 0.000 1.068 699 E HN 0.699 nan 8.360 nan 0.000 0.401 700 Y N 3.196 123.754 120.300 0.429 0.000 2.409 700 Y HA 0.406 4.956 4.550 -0.000 0.000 0.343 700 Y C -1.481 174.513 175.900 0.157 0.000 0.973 700 Y CA -1.291 57.005 58.100 0.326 0.000 1.064 700 Y CB 1.035 39.721 38.460 0.378 0.000 1.207 700 Y HN 0.453 nan 8.280 nan 0.000 0.452 701 L N 7.704 128.659 121.223 -0.447 0.000 2.325 701 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 701 L C -1.504 174.925 176.870 -0.734 0.000 1.004 701 L CA -0.782 53.648 54.840 -0.682 0.000 0.823 701 L CB 1.156 42.559 42.059 -1.093 0.000 1.236 701 L HN 0.652 nan 8.230 nan 0.000 0.415 702 L N 6.367 127.262 121.223 -0.547 0.000 2.287 702 L HA 0.574 4.913 4.340 -0.000 0.000 0.287 702 L C -0.832 175.921 176.870 -0.195 0.000 1.022 702 L CA -0.449 54.127 54.840 -0.439 0.000 0.814 702 L CB 1.578 43.443 42.059 -0.323 0.000 1.217 702 L HN 0.591 nan 8.230 nan 0.000 0.420 703 I N 3.805 124.267 120.570 -0.181 0.000 2.608 703 I HA 0.516 4.686 4.170 -0.000 0.000 0.295 703 I C -0.870 175.222 176.117 -0.042 0.000 1.049 703 I CA -0.733 60.512 61.300 -0.092 0.000 1.063 703 I CB 2.076 39.983 38.000 -0.156 0.000 1.248 703 I HN 0.514 nan 8.210 nan 0.000 0.424 704 H N 2.570 121.674 119.070 0.057 0.000 3.112 704 H HA 0.386 4.942 4.556 -0.000 0.000 0.347 704 H C -0.922 174.627 175.328 0.368 0.000 1.188 704 H CA -0.584 55.543 56.048 0.132 0.000 1.240 704 H CB 2.378 32.146 29.762 0.009 0.000 1.920 704 H HN 0.756 nan 8.280 nan 0.000 0.535 705 G N 0.758 109.925 108.800 0.610 0.000 2.395 705 G HA2 0.285 4.245 3.960 -0.000 0.000 0.283 705 G HA3 0.285 4.245 3.960 -0.000 0.000 0.283 705 G C 1.082 176.281 174.900 0.498 0.000 1.178 705 G CA 0.184 45.593 45.100 0.514 0.000 0.837 705 G HN 0.630 nan 8.290 nan 0.000 0.518 706 T N -0.897 113.806 114.554 0.247 0.000 3.023 706 T HA 0.124 4.474 4.350 -0.000 0.000 0.266 706 T C 1.689 176.355 174.700 -0.057 0.000 1.093 706 T CA 1.225 63.301 62.100 -0.041 0.000 1.129 706 T CB 0.186 68.935 68.868 -0.198 0.000 0.899 706 T HN 0.676 nan 8.240 nan 0.000 0.491 707 A N 1.109 123.946 122.820 0.028 0.000 2.684 707 A HA 0.311 4.631 4.320 -0.000 0.000 0.288 707 A C 0.402 177.896 177.584 -0.151 0.000 1.337 707 A CA -0.490 51.506 52.037 -0.068 0.000 0.946 707 A CB -0.323 18.911 19.000 0.389 0.000 1.093 707 A HN 0.382 nan 8.150 nan 0.000 0.543 708 D N 1.511 121.853 120.400 -0.096 0.000 2.359 708 D HA -0.001 4.639 4.640 -0.000 0.000 0.250 708 D C 0.429 176.704 176.300 -0.042 0.000 1.264 708 D CA 0.037 54.109 54.000 0.121 0.000 0.911 708 D CB 0.643 41.683 40.800 0.401 0.000 1.056 708 D HN 0.559 nan 8.370 nan 0.000 0.499 709 D N 2.646 123.069 120.400 0.040 0.000 2.269 709 D HA -0.175 4.465 4.640 -0.000 0.000 0.208 709 D C 1.047 177.373 176.300 0.043 0.000 0.963 709 D CA 0.150 54.131 54.000 -0.031 0.000 0.864 709 D CB 0.376 41.058 40.800 -0.196 0.000 0.936 709 D HN 0.257 nan 8.370 nan 0.000 0.505 710 N N 0.857 119.694 118.700 0.229 0.000 2.255 710 N HA -0.060 4.680 4.740 -0.000 0.000 0.192 710 N C -0.061 175.494 175.510 0.075 0.000 1.049 710 N CA 0.503 53.741 53.050 0.313 0.000 0.886 710 N CB 0.251 38.859 38.487 0.202 0.000 1.064 710 N HN -0.078 nan 8.380 nan 0.000 0.457 711 V N 2.710 122.639 119.914 0.025 0.000 2.318 711 V HA 0.201 4.321 4.120 -0.000 0.000 0.271 711 V C -0.531 175.646 176.094 0.137 0.000 1.030 711 V CA -0.403 61.919 62.300 0.036 0.000 0.844 711 V CB 0.039 31.916 31.823 0.091 0.000 1.015 711 V HN 0.306 nan 8.190 nan 0.000 0.460 712 H N 3.488 122.564 119.070 0.010 0.000 2.707 712 H HA 0.077 4.633 4.556 -0.000 0.000 0.359 712 H C 0.731 175.930 175.328 -0.216 0.000 1.113 712 H CA -0.321 55.651 56.048 -0.125 0.000 1.422 712 H CB 0.923 30.531 29.762 -0.258 0.000 1.443 712 H HN 0.625 nan 8.280 nan 0.000 0.591 713 F N 1.796 121.548 119.950 -0.331 0.000 2.147 713 F HA -0.330 4.197 4.527 -0.000 0.000 0.301 713 F C 2.648 178.190 175.800 -0.430 0.000 1.084 713 F CA 1.899 59.505 58.000 -0.657 0.000 1.268 713 F CB -0.192 38.596 39.000 -0.353 0.000 1.009 713 F HN 0.684 nan 8.300 nan 0.000 0.486 714 Q N 0.122 119.831 119.800 -0.152 0.000 2.165 714 Q HA -0.372 3.968 4.340 -0.000 0.000 0.215 714 Q C 2.126 177.935 176.000 -0.318 0.000 1.010 714 Q CA 2.665 58.321 55.803 -0.245 0.000 0.896 714 Q CB -0.435 28.117 28.738 -0.311 0.000 0.956 714 Q HN 0.605 nan 8.270 nan 0.000 0.413 715 Q N -0.574 119.073 119.800 -0.256 0.000 2.084 715 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 715 Q C 2.252 178.177 176.000 -0.124 0.000 0.978 715 Q CA 1.716 57.480 55.803 -0.065 0.000 0.844 715 Q CB -0.057 28.698 28.738 0.030 0.000 0.898 715 Q HN 0.347 nan 8.270 nan 0.000 0.426 716 S N 0.541 116.062 115.700 -0.298 0.000 2.436 716 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 716 S C 2.001 176.373 174.600 -0.380 0.000 1.014 716 S CA 0.640 58.651 58.200 -0.315 0.000 0.950 716 S CB -0.017 62.976 63.200 -0.345 0.000 0.784 716 S HN 0.449 nan 8.310 nan 0.000 0.504 717 A N 1.550 124.072 122.820 -0.495 0.000 1.902 717 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 717 A C 2.152 179.652 177.584 -0.141 0.000 1.181 717 A CA 1.137 53.005 52.037 -0.282 0.000 0.623 717 A CB -0.444 18.459 19.000 -0.161 0.000 0.818 717 A HN 0.345 nan 8.150 nan 0.000 0.443 718 Q N -0.329 119.400 119.800 -0.118 0.000 2.079 718 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 718 Q C 2.166 178.119 176.000 -0.079 0.000 0.974 718 Q CA 1.215 56.996 55.803 -0.037 0.000 0.840 718 Q CB -0.422 28.377 28.738 0.102 0.000 0.898 718 Q HN 0.776 nan 8.270 nan 0.000 0.430 719 I N 1.227 121.723 120.570 -0.124 0.000 2.127 719 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 719 I C 2.572 178.524 176.117 -0.276 0.000 1.075 719 I CA 1.631 62.810 61.300 -0.202 0.000 1.334 719 I CB -0.483 37.398 38.000 -0.198 0.000 1.040 719 I HN 0.206 nan 8.210 nan 0.000 0.405 720 S N 0.849 116.407 115.700 -0.236 0.000 2.356 720 S HA -0.288 4.182 4.470 -0.000 0.000 0.223 720 S C 2.020 176.571 174.600 -0.083 0.000 1.032 720 S CA 1.493 59.569 58.200 -0.207 0.000 1.005 720 S CB -0.544 62.696 63.200 0.068 0.000 0.867 720 S HN 0.375 nan 8.310 nan 0.000 0.449 721 K N 1.878 122.251 120.400 -0.044 0.000 2.074 721 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 721 K C 2.267 178.845 176.600 -0.036 0.000 1.048 721 K CA 1.310 57.589 56.287 -0.013 0.000 0.926 721 K CB -0.704 31.791 32.500 -0.010 0.000 0.713 721 K HN 0.460 nan 8.250 nan 0.000 0.444 722 A N 0.877 123.647 122.820 -0.083 0.000 1.933 722 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 722 A C 2.081 179.599 177.584 -0.110 0.000 1.175 722 A CA 1.282 53.264 52.037 -0.092 0.000 0.628 722 A CB -0.499 18.431 19.000 -0.117 0.000 0.814 722 A HN 0.324 nan 8.150 nan 0.000 0.444 723 L N -0.780 120.330 121.223 -0.188 0.000 2.072 723 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 723 L C 2.522 179.395 176.870 0.006 0.000 1.079 723 L CA 0.835 55.567 54.840 -0.180 0.000 0.752 723 L CB -0.540 41.247 42.059 -0.453 0.000 0.906 723 L HN 0.224 nan 8.230 nan 0.000 0.436 724 V N -0.099 119.856 119.914 0.068 0.000 2.287 724 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 724 V C 2.036 178.163 176.094 0.056 0.000 1.053 724 V CA 2.034 64.399 62.300 0.109 0.000 1.027 724 V CB -0.529 31.364 31.823 0.116 0.000 0.646 724 V HN 0.439 nan 8.190 nan 0.000 0.447 725 D N -0.629 119.786 120.400 0.025 0.000 2.263 725 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 725 D C 1.694 178.005 176.300 0.018 0.000 0.971 725 D CA 0.927 54.937 54.000 0.017 0.000 0.867 725 D CB 0.068 40.871 40.800 0.004 0.000 0.929 725 D HN 0.347 nan 8.370 nan 0.000 0.492 726 V N -0.683 119.242 119.914 0.019 0.000 3.578 726 V HA 0.221 4.341 4.120 -0.000 0.000 0.290 726 V C 1.084 177.204 176.094 0.043 0.000 1.376 726 V CA 0.640 62.955 62.300 0.024 0.000 1.083 726 V CB 0.279 32.110 31.823 0.014 0.000 0.911 726 V HN 0.334 nan 8.190 nan 0.000 0.433 727 G N 1.051 109.884 108.800 0.055 0.000 2.272 727 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.280 727 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.280 727 G C -0.030 174.927 174.900 0.095 0.000 1.067 727 G CA 0.396 45.538 45.100 0.070 0.000 0.902 727 G HN 0.442 nan 8.290 nan 0.000 0.500 728 V N 0.522 120.510 119.914 0.124 0.000 2.370 728 V HA 0.412 4.532 4.120 -0.000 0.000 0.283 728 V C 0.493 176.757 176.094 0.283 0.000 1.023 728 V CA -0.708 61.696 62.300 0.173 0.000 0.857 728 V CB 1.691 33.605 31.823 0.152 0.000 0.985 728 V HN 0.447 nan 8.190 nan 0.000 0.443 729 D N 4.043 124.587 120.400 0.240 0.000 2.372 729 D HA 0.503 5.143 4.640 -0.000 0.000 0.243 729 D C -0.480 176.061 176.300 0.402 0.000 1.121 729 D CA 0.436 54.577 54.000 0.234 0.000 0.898 729 D CB 0.637 41.514 40.800 0.128 0.000 1.202 729 D HN 0.371 nan 8.370 nan 0.000 0.428 730 F N -0.900 119.121 119.950 0.118 0.000 2.877 730 F HA 0.434 4.961 4.527 -0.000 0.000 0.319 730 F C -1.583 174.271 175.800 0.090 0.000 1.174 730 F CA -1.072 57.019 58.000 0.151 0.000 0.903 730 F CB 0.718 39.829 39.000 0.185 0.000 1.357 730 F HN 0.193 nan 8.300 nan 0.000 0.472 731 Q N 1.099 120.954 119.800 0.092 0.000 2.345 731 Q HA 0.833 5.173 4.340 -0.000 0.000 0.268 731 Q C -1.205 174.760 176.000 -0.057 0.000 1.054 731 Q CA -1.297 54.457 55.803 -0.082 0.000 0.835 731 Q CB 2.542 31.311 28.738 0.051 0.000 1.339 731 Q HN 0.999 nan 8.270 nan 0.000 0.447 732 A N 1.815 124.569 122.820 -0.110 0.000 2.498 732 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 732 A C -1.408 176.108 177.584 -0.114 0.000 1.075 732 A CA -0.559 51.457 52.037 -0.035 0.000 0.714 732 A CB 1.921 20.948 19.000 0.045 0.000 1.299 732 A HN 0.629 nan 8.150 nan 0.000 0.407 733 M N 1.704 121.226 119.600 -0.130 0.000 2.255 733 M HA 0.570 5.050 4.480 -0.000 0.000 0.275 733 M C -1.867 174.310 176.300 -0.206 0.000 1.050 733 M CA -0.637 54.438 55.300 -0.376 0.000 0.978 733 M CB 1.142 33.443 32.600 -0.498 0.000 1.761 733 M HN 0.887 nan 8.290 nan 0.000 0.479 734 W N 4.110 125.270 121.300 -0.234 0.000 2.509 734 W HA 0.794 5.454 4.660 -0.000 0.000 0.351 734 W C -1.968 174.296 176.519 -0.424 0.000 1.107 734 W CA -0.811 56.480 57.345 -0.090 0.000 1.264 734 W CB 0.382 29.845 29.460 0.005 0.000 1.312 734 W HN 0.595 nan 8.180 nan 0.000 0.608 735 Y N 1.903 122.329 120.300 0.211 0.000 2.326 735 Y HA 0.326 4.876 4.550 -0.000 0.000 0.331 735 Y C 0.695 176.709 175.900 0.191 0.000 0.962 735 Y CA -1.106 57.041 58.100 0.077 0.000 1.167 735 Y CB 1.867 40.343 38.460 0.026 0.000 1.148 735 Y HN 0.626 nan 8.280 nan 0.000 0.463 736 T N 2.398 117.116 114.554 0.273 0.000 2.870 736 T HA 0.142 4.492 4.350 -0.000 0.000 0.300 736 T C 0.258 175.007 174.700 0.081 0.000 0.989 736 T CA 0.068 62.263 62.100 0.159 0.000 1.139 736 T CB 0.077 68.969 68.868 0.040 0.000 0.920 736 T HN 0.783 nan 8.240 nan 0.000 0.537 737 D N 1.657 122.063 120.400 0.010 0.000 3.012 737 D HA -0.107 4.533 4.640 -0.000 0.000 0.222 737 D C -0.113 176.261 176.300 0.124 0.000 1.167 737 D CA 0.986 54.884 54.000 -0.170 0.000 0.854 737 D CB -0.615 39.850 40.800 -0.558 0.000 1.107 737 D HN 0.709 nan 8.370 nan 0.000 0.421 738 E N 0.668 120.988 120.200 0.200 0.000 2.212 738 E HA 0.385 4.735 4.350 -0.000 0.000 0.270 738 E C 0.658 177.432 176.600 0.290 0.000 0.956 738 E CA -0.508 56.043 56.400 0.252 0.000 0.825 738 E CB 1.737 31.576 29.700 0.232 0.000 1.167 738 E HN 0.238 nan 8.360 nan 0.000 0.400 739 D N -0.586 120.002 120.400 0.315 0.000 2.570 739 D HA 0.023 4.663 4.640 -0.000 0.000 0.266 739 D C 1.053 177.588 176.300 0.391 0.000 1.182 739 D CA -0.315 53.895 54.000 0.351 0.000 1.088 739 D CB -0.164 40.872 40.800 0.392 0.000 1.186 739 D HN 0.411 nan 8.370 nan 0.000 0.618 740 H N -1.287 117.972 119.070 0.315 0.000 2.457 740 H HA 0.050 4.606 4.556 -0.000 0.000 0.297 740 H C 1.938 177.523 175.328 0.428 0.000 1.092 740 H CA 2.242 58.499 56.048 0.349 0.000 1.309 740 H CB -0.450 29.504 29.762 0.319 0.000 1.382 740 H HN 0.505 nan 8.280 nan 0.000 0.535 741 G N 0.153 109.157 108.800 0.340 0.000 2.421 741 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.217 741 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.217 741 G C 0.732 175.832 174.900 0.333 0.000 1.143 741 G CA 0.419 45.651 45.100 0.220 0.000 0.784 741 G HN 0.548 nan 8.290 nan 0.000 0.541 742 I N 0.244 121.022 120.570 0.347 0.000 5.115 742 I HA -0.325 3.845 4.170 -0.000 0.000 0.126 742 I C 1.522 177.780 176.117 0.236 0.000 1.316 742 I CA 0.148 61.601 61.300 0.255 0.000 2.641 742 I CB -1.278 36.831 38.000 0.181 0.000 2.272 742 I HN 0.270 nan 8.210 nan 0.000 0.321 743 A N 1.395 124.329 122.820 0.189 0.000 2.343 743 A HA 0.214 4.534 4.320 -0.000 0.000 0.223 743 A C 1.220 178.864 177.584 0.099 0.000 1.214 743 A CA 0.623 52.741 52.037 0.136 0.000 0.900 743 A CB 0.203 19.256 19.000 0.089 0.000 0.942 743 A HN 0.676 nan 8.150 nan 0.000 0.507 744 S N 0.049 115.819 115.700 0.116 0.000 2.558 744 S HA 0.092 4.562 4.470 -0.000 0.000 0.288 744 S C 1.209 175.865 174.600 0.092 0.000 1.318 744 S CA 0.468 58.727 58.200 0.097 0.000 1.056 744 S CB 0.914 64.179 63.200 0.108 0.000 0.853 744 S HN 0.516 nan 8.310 nan 0.000 0.505 745 S N 2.776 118.516 115.700 0.066 0.000 2.372 745 S HA -0.201 4.269 4.470 -0.000 0.000 0.227 745 S C 2.093 176.754 174.600 0.103 0.000 1.044 745 S CA 2.458 60.695 58.200 0.063 0.000 1.050 745 S CB -1.495 61.726 63.200 0.034 0.000 0.901 745 S HN 1.081 nan 8.310 nan 0.000 0.447 746 T N -0.461 114.145 114.554 0.087 0.000 2.812 746 T HA 0.211 4.561 4.350 -0.000 0.000 0.264 746 T C 1.988 176.749 174.700 0.102 0.000 1.042 746 T CA 1.261 63.415 62.100 0.091 0.000 1.140 746 T CB -0.926 67.985 68.868 0.071 0.000 0.870 746 T HN 0.452 nan 8.240 nan 0.000 0.445 747 A N 1.605 124.464 122.820 0.066 0.000 1.877 747 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 747 A C 2.182 179.724 177.584 -0.069 0.000 1.186 747 A CA 2.177 54.180 52.037 -0.056 0.000 0.620 747 A CB -1.401 17.538 19.000 -0.102 0.000 0.822 747 A HN 0.767 nan 8.150 nan 0.000 0.443 748 H N -0.129 118.935 119.070 -0.011 0.000 2.265 748 H HA -0.217 4.339 4.556 -0.000 0.000 0.293 748 H C 2.160 177.575 175.328 0.146 0.000 1.089 748 H CA 2.565 58.674 56.048 0.101 0.000 1.244 748 H CB -0.313 29.508 29.762 0.099 0.000 1.355 748 H HN 0.592 nan 8.280 nan 0.000 0.485 749 Q N -1.123 118.727 119.800 0.083 0.000 2.096 749 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 749 Q C 2.301 178.315 176.000 0.024 0.000 0.982 749 Q CA 1.585 57.400 55.803 0.020 0.000 0.850 749 Q CB -0.229 28.548 28.738 0.066 0.000 0.901 749 Q HN 0.652 nan 8.270 nan 0.000 0.422 750 H N 0.488 119.545 119.070 -0.022 0.000 2.333 750 H HA -0.035 4.521 4.556 -0.000 0.000 0.302 750 H C 2.082 177.418 175.328 0.013 0.000 1.075 750 H CA 1.214 57.279 56.048 0.029 0.000 1.348 750 H CB -0.020 29.811 29.762 0.115 0.000 1.393 750 H HN 0.279 nan 8.280 nan 0.000 0.509 751 I N 0.300 120.844 120.570 -0.043 0.000 2.127 751 I HA -0.364 3.806 4.170 -0.000 0.000 0.241 751 I C 1.903 177.790 176.117 -0.383 0.000 1.075 751 I CA 1.517 62.687 61.300 -0.217 0.000 1.334 751 I CB -0.335 37.332 38.000 -0.555 0.000 1.040 751 I HN 0.140 nan 8.210 nan 0.000 0.405 752 Y N 0.973 121.052 120.300 -0.369 0.000 2.224 752 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 752 Y C 2.749 178.453 175.900 -0.326 0.000 1.146 752 Y CA 1.972 59.740 58.100 -0.553 0.000 1.182 752 Y CB -1.050 37.071 38.460 -0.565 0.000 0.983 752 Y HN 0.193 nan 8.280 nan 0.000 0.524 753 T N -1.667 112.827 114.554 -0.100 0.000 2.777 753 T HA -0.232 4.118 4.350 -0.000 0.000 0.266 753 T C 1.571 176.182 174.700 -0.147 0.000 1.040 753 T CA 1.857 63.867 62.100 -0.150 0.000 1.141 753 T CB -0.460 68.323 68.868 -0.143 0.000 0.868 753 T HN 0.419 nan 8.240 nan 0.000 0.444 754 H N 0.729 119.688 119.070 -0.184 0.000 2.353 754 H HA 0.119 4.675 4.556 -0.000 0.000 0.300 754 H C 2.161 177.477 175.328 -0.021 0.000 1.090 754 H CA 1.520 57.529 56.048 -0.065 0.000 1.327 754 H CB -0.233 29.480 29.762 -0.080 0.000 1.383 754 H HN 0.248 nan 8.280 nan 0.000 0.508 755 M N -0.950 118.586 119.600 -0.106 0.000 2.229 755 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 755 M C 2.358 178.742 176.300 0.141 0.000 1.063 755 M CA 1.299 56.523 55.300 -0.126 0.000 1.114 755 M CB 0.110 32.399 32.600 -0.518 0.000 1.387 755 M HN 0.204 nan 8.290 nan 0.000 0.420 756 S N -0.726 115.076 115.700 0.170 0.000 2.368 756 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 756 S C 1.671 176.327 174.600 0.094 0.000 1.029 756 S CA 0.923 59.292 58.200 0.281 0.000 0.988 756 S CB -0.488 62.880 63.200 0.280 0.000 0.838 756 S HN 0.468 nan 8.310 nan 0.000 0.462 757 H N -0.192 118.923 119.070 0.075 0.000 2.352 757 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 757 H C 1.959 177.276 175.328 -0.018 0.000 1.097 757 H CA 1.346 57.395 56.048 0.001 0.000 1.311 757 H CB -0.673 29.043 29.762 -0.077 0.000 1.377 757 H HN 0.454 nan 8.280 nan 0.000 0.504 758 F N 1.144 121.066 119.950 -0.048 0.000 2.084 758 F HA -0.167 4.360 4.527 -0.000 0.000 0.296 758 F C 2.332 178.072 175.800 -0.100 0.000 1.111 758 F CA 0.877 58.822 58.000 -0.092 0.000 1.224 758 F CB -0.285 38.635 39.000 -0.133 0.000 0.991 758 F HN -0.064 nan 8.300 nan 0.000 0.471 759 I N 1.713 122.311 120.570 0.047 0.000 2.163 759 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 759 I C 2.499 178.385 176.117 -0.386 0.000 1.085 759 I CA 1.986 63.139 61.300 -0.246 0.000 1.347 759 I CB -1.536 36.401 38.000 -0.105 0.000 1.044 759 I HN 0.314 nan 8.210 nan 0.000 0.408 760 K N 1.251 121.584 120.400 -0.112 0.000 2.147 760 K HA -0.236 4.084 4.320 -0.000 0.000 0.205 760 K C 1.992 178.575 176.600 -0.027 0.000 1.049 760 K CA 1.385 57.666 56.287 -0.011 0.000 0.936 760 K CB -0.440 32.105 32.500 0.075 0.000 0.722 760 K HN 0.389 nan 8.250 nan 0.000 0.446 761 Q N 1.406 121.147 119.800 -0.098 0.000 2.079 761 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 761 Q C 2.215 178.111 176.000 -0.172 0.000 0.974 761 Q CA 1.862 57.593 55.803 -0.120 0.000 0.840 761 Q CB -0.671 27.979 28.738 -0.146 0.000 0.898 761 Q HN 0.505 nan 8.270 nan 0.000 0.430 762 c N 0.198 118.582 118.600 -0.360 0.000 2.410 762 c HA -0.119 4.451 4.570 -0.000 0.000 0.281 762 c C 2.277 176.392 174.090 0.042 0.000 1.318 762 c CA 0.662 56.806 56.329 -0.308 0.000 1.776 762 c CB -1.275 40.898 42.510 -0.563 0.000 1.942 762 c HN 0.600 nan 8.230 nan 0.000 0.508 763 F N 0.623 120.536 119.950 -0.062 0.000 2.453 763 F HA 0.287 4.814 4.527 -0.000 0.000 0.284 763 F C 1.996 177.783 175.800 -0.022 0.000 1.065 763 F CA 0.190 58.175 58.000 -0.026 0.000 1.411 763 F CB -1.387 37.606 39.000 -0.012 0.000 1.131 763 F HN 0.018 nan 8.300 nan 0.000 0.582 764 S N 0.000 115.806 115.700 0.176 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.255 58.200 0.091 0.000 1.107 764 S CB 0.000 63.240 63.200 0.067 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517