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 1azx_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDICTAKPRD IPMNPMCIYR SXXXXXXXXX XXXXKIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA CNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNCRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG ESCSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPCV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.086 176.094 -0.014 0.000 1.182 5 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 5 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 6 D N 0.098 120.489 120.400 -0.016 0.000 2.488 6 D HA 0.175 5.229 4.640 0.690 0.000 0.238 6 D C 0.807 177.085 176.300 -0.037 0.000 1.138 6 D CA 0.296 54.279 54.000 -0.028 0.000 0.873 6 D CB 1.007 41.794 40.800 -0.021 0.000 1.183 6 D HN 0.869 nan 8.370 nan 0.000 0.458 7 I N 2.097 122.624 120.570 -0.072 0.000 3.605 7 I HA -0.098 4.485 4.170 0.690 0.000 0.301 7 I C 0.519 176.537 176.117 -0.166 0.000 1.267 7 I CA -0.090 61.138 61.300 -0.120 0.000 1.236 7 I CB -0.136 37.746 38.000 -0.198 0.000 1.010 7 I HN 0.610 nan 8.210 nan 0.000 0.491 8 C N 0.100 119.345 119.300 -0.092 0.000 2.539 8 C HA 0.038 4.912 4.460 0.690 0.000 0.268 8 C C 2.354 177.326 174.990 -0.031 0.000 1.395 8 C CA 1.050 60.026 59.018 -0.070 0.000 1.757 8 C CB -1.165 26.557 27.740 -0.029 0.000 1.851 8 C HN 0.699 nan 8.230 nan 0.000 0.545 9 T N -2.489 112.059 114.554 -0.010 0.000 2.958 9 T HA 0.426 5.190 4.350 0.690 0.000 0.256 9 T C 0.694 175.428 174.700 0.056 0.000 0.983 9 T CA 0.585 62.700 62.100 0.025 0.000 0.924 9 T CB -0.007 68.874 68.868 0.022 0.000 1.136 9 T HN 0.325 nan 8.240 nan 0.000 0.506 10 A N 1.656 124.515 122.820 0.065 0.000 2.346 10 A HA 0.621 5.355 4.320 0.690 0.000 0.252 10 A C 0.114 177.863 177.584 0.275 0.000 1.089 10 A CA -0.367 51.748 52.037 0.130 0.000 0.797 10 A CB 0.406 19.484 19.000 0.129 0.000 1.047 10 A HN 0.434 nan 8.150 nan 0.000 0.494 11 K N 0.480 120.994 120.400 0.190 0.000 2.281 11 K HA 0.376 5.110 4.320 0.690 0.000 0.242 11 K C -2.159 174.262 176.600 -0.299 0.000 0.971 11 K CA -1.864 54.463 56.287 0.066 0.000 0.834 11 K CB 1.732 34.239 32.500 0.013 0.000 1.181 11 K HN 0.231 nan 8.250 nan 0.000 0.435 12 P HA -0.201 nan 4.420 nan 0.000 0.218 12 P C 0.620 177.702 177.300 -0.363 0.000 1.152 12 P CA 1.551 64.089 63.100 -0.936 0.000 0.857 12 P CB 0.219 31.467 31.700 -0.754 0.000 0.787 13 R N -1.131 119.240 120.500 -0.215 0.000 2.236 13 R HA -0.060 4.694 4.340 0.690 0.000 0.208 13 R C 1.509 177.768 176.300 -0.068 0.000 1.036 13 R CA 1.068 57.102 56.100 -0.110 0.000 1.001 13 R CB -0.483 29.775 30.300 -0.070 0.000 0.896 13 R HN 0.271 nan 8.270 nan 0.000 0.464 14 D N 0.594 120.960 120.400 -0.056 0.000 2.117 14 D HA -0.090 4.964 4.640 0.690 0.000 0.198 14 D C 0.221 176.517 176.300 -0.007 0.000 0.982 14 D CA 1.090 55.082 54.000 -0.012 0.000 0.828 14 D CB 0.196 41.009 40.800 0.022 0.000 0.967 14 D HN 0.193 nan 8.370 nan 0.000 0.464 15 I N -2.501 118.065 120.570 -0.006 0.000 2.796 15 I HA 0.267 4.851 4.170 0.690 0.000 0.279 15 I C -2.697 173.412 176.117 -0.013 0.000 1.289 15 I CA -2.428 58.875 61.300 0.005 0.000 1.021 15 I CB 1.093 39.115 38.000 0.037 0.000 1.414 15 I HN -0.270 nan 8.210 nan 0.000 0.562 16 P HA 0.113 nan 4.420 nan 0.000 0.249 16 P C -0.037 177.255 177.300 -0.014 0.000 1.737 16 P CA -0.057 63.015 63.100 -0.046 0.000 1.128 16 P CB 0.185 31.857 31.700 -0.047 0.000 1.942 17 M N 1.562 121.163 119.600 0.002 0.000 2.252 17 M HA 0.122 5.015 4.480 0.690 0.000 0.348 17 M C 0.118 176.431 176.300 0.021 0.000 1.334 17 M CA 0.483 55.788 55.300 0.008 0.000 1.071 17 M CB -0.332 32.272 32.600 0.006 0.000 1.763 17 M HN 0.126 nan 8.290 nan 0.000 0.452 18 N N 5.261 123.973 118.700 0.020 0.000 2.426 18 N HA 0.470 5.624 4.740 0.690 0.000 0.257 18 N C -2.860 172.678 175.510 0.046 0.000 1.002 18 N CA -1.082 51.987 53.050 0.032 0.000 0.942 18 N CB 0.919 39.420 38.487 0.025 0.000 1.112 18 N HN 0.526 nan 8.380 nan 0.000 0.499 19 P HA 0.088 nan 4.420 nan 0.000 0.276 19 P C 1.052 178.397 177.300 0.074 0.000 1.252 19 P CA -0.547 62.603 63.100 0.084 0.000 0.802 19 P CB 1.156 32.940 31.700 0.141 0.000 1.035 20 M N 1.676 121.321 119.600 0.074 0.000 2.126 20 M HA -0.087 4.807 4.480 0.690 0.000 0.259 20 M C 0.186 176.520 176.300 0.056 0.000 1.073 20 M CA 1.938 57.271 55.300 0.055 0.000 1.103 20 M CB -0.810 31.814 32.600 0.039 0.000 1.284 20 M HN 0.359 nan 8.290 nan 0.000 0.420 21 C N 0.780 120.123 119.300 0.072 0.000 2.561 21 C HA 0.611 5.484 4.460 0.690 0.000 0.319 21 C C -0.200 174.850 174.990 0.101 0.000 1.198 21 C CA -1.563 57.500 59.018 0.075 0.000 1.665 21 C CB 1.193 28.976 27.740 0.071 0.000 2.258 21 C HN 0.376 nan 8.230 nan 0.000 0.493 22 I N 2.439 123.065 120.570 0.093 0.000 2.396 22 I HA 0.167 4.751 4.170 0.690 0.000 0.292 22 I C 0.140 176.348 176.117 0.152 0.000 0.999 22 I CA -0.447 60.921 61.300 0.113 0.000 1.310 22 I CB 0.234 38.279 38.000 0.075 0.000 1.404 22 I HN 0.663 nan 8.210 nan 0.000 0.496 23 Y N 6.169 126.493 120.300 0.040 0.000 2.712 23 Y HA -0.057 4.908 4.550 0.690 0.000 0.333 23 Y C 1.105 177.027 175.900 0.037 0.000 1.225 23 Y CA -0.091 58.033 58.100 0.041 0.000 1.499 23 Y CB 0.266 38.748 38.460 0.038 0.000 1.288 23 Y HN 0.518 nan 8.280 nan 0.000 0.575 24 R N 4.234 124.495 120.500 -0.398 0.000 4.113 24 R HA 0.271 5.025 4.340 0.690 0.000 0.179 24 R C -0.906 175.021 176.300 -0.621 0.000 1.781 24 R CA 0.537 56.401 56.100 -0.393 0.000 1.402 24 R CB -0.760 29.405 30.300 -0.225 0.000 1.375 24 R HN 0.785 nan 8.270 nan 0.000 0.786 40 I N -1.327 118.987 120.570 -0.428 0.000 3.042 40 I HA 0.635 5.219 4.170 0.690 0.000 0.310 40 I C -2.421 173.529 176.117 -0.278 0.000 1.117 40 I CA -2.159 58.800 61.300 -0.568 0.000 1.003 40 I CB 1.857 39.225 38.000 -1.054 0.000 1.228 40 I HN 0.398 nan 8.210 nan 0.000 0.443 41 P HA 0.084 nan 4.420 nan 0.000 0.268 41 P C -0.759 176.502 177.300 -0.065 0.000 1.208 41 P CA 0.124 63.180 63.100 -0.072 0.000 0.777 41 P CB 0.464 32.161 31.700 -0.005 0.000 0.875 42 E N 0.503 120.682 120.200 -0.034 0.000 2.398 42 E HA 0.282 5.046 4.350 0.690 0.000 0.263 42 E C 0.596 177.192 176.600 -0.006 0.000 1.046 42 E CA 0.201 56.587 56.400 -0.023 0.000 0.908 42 E CB 0.064 29.757 29.700 -0.012 0.000 0.963 42 E HN 0.581 nan 8.360 nan 0.000 0.431 43 A N 2.217 125.036 122.820 -0.002 0.000 2.799 43 A HA -0.194 4.540 4.320 0.690 0.000 0.287 43 A C 0.112 177.712 177.584 0.026 0.000 1.484 43 A CA 1.346 53.391 52.037 0.014 0.000 0.813 43 A CB -2.108 16.904 19.000 0.020 0.000 1.009 43 A HN 0.434 nan 8.150 nan 0.000 0.545 44 T N 1.040 115.604 114.554 0.016 0.000 2.812 44 T HA 0.405 5.169 4.350 0.690 0.000 0.282 44 T C -0.024 174.702 174.700 0.044 0.000 0.990 44 T CA -0.484 61.640 62.100 0.040 0.000 0.960 44 T CB 1.060 69.949 68.868 0.036 0.000 0.948 44 T HN 0.521 nan 8.240 nan 0.000 0.438 45 N N 2.791 121.544 118.700 0.089 0.000 2.452 45 N HA 0.001 5.154 4.740 0.690 0.000 0.266 45 N C 1.593 177.163 175.510 0.100 0.000 1.209 45 N CA -0.253 52.858 53.050 0.102 0.000 0.929 45 N CB 0.775 39.367 38.487 0.175 0.000 1.063 45 N HN 0.624 nan 8.380 nan 0.000 0.472 46 R N 4.213 124.749 120.500 0.059 0.000 2.113 46 R HA -0.210 4.544 4.340 0.690 0.000 0.244 46 R C 1.576 177.974 176.300 0.163 0.000 1.142 46 R CA 1.388 57.551 56.100 0.106 0.000 0.953 46 R CB -0.401 29.927 30.300 0.047 0.000 0.860 46 R HN 0.572 nan 8.270 nan 0.000 0.438 47 R N 0.831 121.307 120.500 -0.040 0.000 2.120 47 R HA -0.060 4.694 4.340 0.690 0.000 0.234 47 R C 2.351 178.554 176.300 -0.163 0.000 1.123 47 R CA 1.414 57.351 56.100 -0.272 0.000 0.975 47 R CB -0.369 29.404 30.300 -0.879 0.000 0.866 47 R HN 0.095 nan 8.270 nan 0.000 0.446 48 V N -0.284 119.648 119.914 0.030 0.000 2.427 48 V HA -0.209 4.324 4.120 0.690 0.000 0.248 48 V C 1.839 178.003 176.094 0.117 0.000 1.051 48 V CA 1.486 63.862 62.300 0.127 0.000 1.048 48 V CB -0.438 31.500 31.823 0.191 0.000 0.666 48 V HN 0.493 nan 8.190 nan 0.000 0.456 49 W N 1.349 122.631 121.300 -0.029 0.000 2.358 49 W HA -0.154 4.920 4.660 0.689 0.000 0.303 49 W C 2.250 178.746 176.519 -0.039 0.000 1.208 49 W CA 1.881 59.210 57.345 -0.027 0.000 1.274 49 W CB -0.156 29.290 29.460 -0.023 0.000 1.138 49 W HN 0.277 nan 8.180 nan 0.000 0.515 50 E N 0.179 120.301 120.200 -0.130 0.000 2.058 50 E HA -0.288 4.476 4.350 0.690 0.000 0.194 50 E C 2.110 178.537 176.600 -0.287 0.000 0.997 50 E CA 1.705 57.897 56.400 -0.347 0.000 0.801 50 E CB -0.738 28.876 29.700 -0.145 0.000 0.746 50 E HN 0.247 nan 8.360 nan 0.000 0.450 51 L N 0.991 122.113 121.223 -0.169 0.000 2.079 51 L HA -0.221 4.533 4.340 0.690 0.000 0.210 51 L C 2.289 179.045 176.870 -0.189 0.000 1.081 51 L CA 1.593 56.343 54.840 -0.149 0.000 0.752 51 L CB -0.299 41.672 42.059 -0.146 0.000 0.896 51 L HN -0.027 nan 8.230 nan 0.000 0.433 52 S N -0.742 114.840 115.700 -0.196 0.000 2.356 52 S HA -0.212 4.672 4.470 0.690 0.000 0.223 52 S C 1.893 176.358 174.600 -0.224 0.000 1.032 52 S CA 1.437 59.533 58.200 -0.173 0.000 1.005 52 S CB -0.257 62.864 63.200 -0.131 0.000 0.867 52 S HN 0.433 nan 8.310 nan 0.000 0.449 53 K N 1.414 121.583 120.400 -0.385 0.000 2.032 53 K HA -0.090 4.644 4.320 0.690 0.000 0.209 53 K C 2.472 178.942 176.600 -0.218 0.000 1.048 53 K CA 1.287 57.354 56.287 -0.367 0.000 0.927 53 K CB -0.416 31.744 32.500 -0.567 0.000 0.712 53 K HN 0.342 nan 8.250 nan 0.000 0.441 54 A N 2.272 124.975 122.820 -0.196 0.000 1.851 54 A HA -0.231 4.503 4.320 0.690 0.000 0.216 54 A C 1.870 179.385 177.584 -0.114 0.000 1.195 54 A CA 1.916 53.867 52.037 -0.142 0.000 0.622 54 A CB -0.676 18.262 19.000 -0.104 0.000 0.831 54 A HN 0.251 nan 8.150 nan 0.000 0.444 55 N N 0.302 118.944 118.700 -0.097 0.000 2.149 55 N HA -0.101 5.052 4.740 0.690 0.000 0.188 55 N C 1.898 177.450 175.510 0.070 0.000 1.019 55 N CA 1.628 54.678 53.050 -0.002 0.000 0.857 55 N CB -0.473 38.013 38.487 -0.002 0.000 0.997 55 N HN 0.459 nan 8.380 nan 0.000 0.426 56 S N 0.374 116.074 115.700 0.000 0.000 2.406 56 S HA 0.061 4.945 4.470 0.690 0.000 0.228 56 S C 1.797 176.399 174.600 0.003 0.000 1.020 56 S CA 0.466 58.672 58.200 0.010 0.000 0.965 56 S CB 0.141 63.321 63.200 -0.032 0.000 0.798 56 S HN 0.339 nan 8.310 nan 0.000 0.488 57 R N -0.185 120.302 120.500 -0.022 0.000 2.148 57 R HA -0.004 4.750 4.340 0.690 0.000 0.227 57 R C 1.926 178.231 176.300 0.008 0.000 1.103 57 R CA 1.123 57.206 56.100 -0.027 0.000 0.983 57 R CB -0.262 30.005 30.300 -0.054 0.000 0.874 57 R HN 0.462 nan 8.270 nan 0.000 0.451 58 F N 1.072 120.959 119.950 -0.106 0.000 2.270 58 F HA 0.110 5.056 4.527 0.700 0.000 0.295 58 F C 2.159 177.951 175.800 -0.014 0.000 1.087 58 F CA 0.679 58.605 58.000 -0.123 0.000 1.365 58 F CB -0.291 38.596 39.000 -0.188 0.000 1.056 58 F HN -0.081 nan 8.300 nan 0.000 0.506 59 A N 0.599 123.392 122.820 -0.045 0.000 1.859 59 A HA -0.283 4.451 4.320 0.690 0.000 0.217 59 A C 2.331 179.888 177.584 -0.045 0.000 1.198 59 A CA 3.247 55.255 52.037 -0.048 0.000 0.629 59 A CB -1.749 17.302 19.000 0.086 0.000 0.830 59 A HN 0.550 nan 8.150 nan 0.000 0.446 60 T N -2.897 111.653 114.554 -0.006 0.000 2.684 60 T HA -0.175 4.588 4.350 0.690 0.000 0.267 60 T C 1.827 176.537 174.700 0.016 0.000 1.036 60 T CA 2.267 64.384 62.100 0.029 0.000 1.148 60 T CB -1.349 67.524 68.868 0.009 0.000 0.863 60 T HN 0.371 nan 8.240 nan 0.000 0.436 61 T N 1.488 116.006 114.554 -0.059 0.000 2.684 61 T HA -0.036 4.728 4.350 0.690 0.000 0.267 61 T C 1.392 176.055 174.700 -0.062 0.000 1.036 61 T CA 1.507 63.578 62.100 -0.047 0.000 1.148 61 T CB -0.699 68.111 68.868 -0.097 0.000 0.863 61 T HN 0.397 nan 8.240 nan 0.000 0.436 62 F N 0.832 120.487 119.950 -0.491 0.000 2.102 62 F HA -0.104 4.836 4.527 0.688 0.000 0.298 62 F C 2.184 177.859 175.800 -0.208 0.000 1.105 62 F CA 0.855 58.541 58.000 -0.523 0.000 1.239 62 F CB -0.721 37.691 39.000 -0.980 0.000 0.991 62 F HN 0.170 nan 8.300 nan 0.000 0.474 63 Y N 1.267 121.431 120.300 -0.227 0.000 2.165 63 Y HA -0.312 4.679 4.550 0.735 0.000 0.286 63 Y C 2.534 178.302 175.900 -0.221 0.000 1.155 63 Y CA 2.351 60.311 58.100 -0.234 0.000 1.164 63 Y CB -0.654 37.748 38.460 -0.096 0.000 0.978 63 Y HN 0.238 nan 8.280 nan 0.000 0.513 64 Q N -1.341 118.470 119.800 0.018 0.000 2.096 64 Q HA -0.256 4.498 4.340 0.690 0.000 0.204 64 Q C 1.920 177.798 176.000 -0.204 0.000 0.982 64 Q CA 1.932 57.710 55.803 -0.042 0.000 0.850 64 Q CB -0.319 28.428 28.738 0.014 0.000 0.901 64 Q HN 0.640 nan 8.270 nan 0.000 0.422 65 H N -0.212 118.670 119.070 -0.314 0.000 2.389 65 H HA -0.096 4.872 4.556 0.687 0.000 0.299 65 H C 1.723 176.786 175.328 -0.441 0.000 1.081 65 H CA 1.111 56.962 56.048 -0.329 0.000 1.345 65 H CB -0.000 29.576 29.762 -0.310 0.000 1.393 65 H HN 0.084 nan 8.280 nan 0.000 0.520 66 L N 0.226 121.119 121.223 -0.549 0.000 2.027 66 L HA 0.001 4.755 4.340 0.690 0.000 0.206 66 L C 2.293 178.816 176.870 -0.578 0.000 1.074 66 L CA 1.692 56.128 54.840 -0.673 0.000 0.745 66 L CB -0.853 40.622 42.059 -0.974 0.000 0.898 66 L HN 0.244 nan 8.230 nan 0.000 0.433 67 A N -1.225 121.188 122.820 -0.678 0.000 2.067 67 A HA -0.246 4.487 4.320 0.690 0.000 0.219 67 A C 1.995 179.397 177.584 -0.303 0.000 1.158 67 A CA 1.674 53.386 52.037 -0.541 0.000 0.661 67 A CB -0.814 17.836 19.000 -0.583 0.000 0.801 67 A HN 0.597 nan 8.150 nan 0.000 0.452 68 D N -0.021 120.207 120.400 -0.286 0.000 2.183 68 D HA -0.098 4.955 4.640 0.690 0.000 0.203 68 D C 1.654 177.844 176.300 -0.182 0.000 0.969 68 D CA 1.361 55.236 54.000 -0.209 0.000 0.842 68 D CB -0.004 40.655 40.800 -0.235 0.000 0.957 68 D HN 0.426 nan 8.370 nan 0.000 0.484 69 S N -1.086 114.487 115.700 -0.212 0.000 2.602 69 S HA 0.280 5.164 4.470 0.690 0.000 0.246 69 S C 0.104 174.607 174.600 -0.162 0.000 1.009 69 S CA -0.638 57.461 58.200 -0.168 0.000 1.052 69 S CB -0.064 63.036 63.200 -0.165 0.000 0.778 69 S HN 0.077 nan 8.310 nan 0.000 0.455 70 K N 0.910 121.214 120.400 -0.161 0.000 2.536 70 K HA 0.324 5.058 4.320 0.690 0.000 0.269 70 K C -1.291 175.255 176.600 -0.090 0.000 0.965 70 K CA -0.834 55.375 56.287 -0.130 0.000 0.860 70 K CB 0.998 33.393 32.500 -0.174 0.000 1.423 70 K HN 0.094 nan 8.250 nan 0.000 0.438 71 N N 1.849 120.517 118.700 -0.053 0.000 2.497 71 N HA -0.023 5.130 4.740 0.690 0.000 0.271 71 N C -0.006 175.491 175.510 -0.022 0.000 1.142 71 N CA 0.301 53.334 53.050 -0.028 0.000 0.965 71 N CB 0.804 39.289 38.487 -0.003 0.000 1.077 71 N HN 0.532 nan 8.380 nan 0.000 0.462 72 D N 2.070 122.460 120.400 -0.016 0.000 2.280 72 D HA -0.184 4.869 4.640 0.690 0.000 0.206 72 D C 0.008 176.316 176.300 0.014 0.000 0.988 72 D CA 1.172 55.171 54.000 -0.002 0.000 0.886 72 D CB 0.188 40.992 40.800 0.008 0.000 0.914 72 D HN 0.512 nan 8.370 nan 0.000 0.473 73 N N 1.243 119.955 118.700 0.019 0.000 2.327 73 N HA 0.039 5.192 4.740 0.690 0.000 0.231 73 N C -0.503 175.026 175.510 0.032 0.000 1.130 73 N CA 0.153 53.222 53.050 0.032 0.000 0.845 73 N CB 0.526 39.039 38.487 0.044 0.000 1.073 73 N HN 0.131 nan 8.380 nan 0.000 0.496 74 D N 0.001 120.416 120.400 0.024 0.000 2.228 74 D HA 0.254 5.308 4.640 0.690 0.000 0.247 74 D C -0.073 176.243 176.300 0.027 0.000 0.995 74 D CA -0.328 53.700 54.000 0.047 0.000 0.903 74 D CB 1.179 41.993 40.800 0.024 0.000 1.205 74 D HN -0.059 nan 8.370 nan 0.000 0.459 75 N N 0.477 119.219 118.700 0.070 0.000 2.530 75 N HA 0.443 5.597 4.740 0.690 0.000 0.277 75 N C -0.411 175.143 175.510 0.073 0.000 1.168 75 N CA -0.015 53.066 53.050 0.052 0.000 0.979 75 N CB 1.146 39.698 38.487 0.107 0.000 1.141 75 N HN 0.310 nan 8.380 nan 0.000 0.459 76 I N 1.314 121.951 120.570 0.112 0.000 2.571 76 I HA 0.378 4.962 4.170 0.690 0.000 0.289 76 I C -1.460 174.871 176.117 0.357 0.000 1.115 76 I CA -0.659 60.724 61.300 0.138 0.000 1.045 76 I CB 1.714 39.734 38.000 0.033 0.000 1.238 76 I HN 0.269 nan 8.210 nan 0.000 0.424 77 F N 7.946 128.029 119.950 0.222 0.000 2.630 77 F HA 0.682 5.617 4.527 0.679 0.000 0.325 77 F C -1.399 174.696 175.800 0.493 0.000 1.184 77 F CA -0.609 57.573 58.000 0.303 0.000 1.011 77 F CB 1.402 40.546 39.000 0.240 0.000 1.268 77 F HN 0.285 nan 8.300 nan 0.000 0.480 78 L N 1.824 123.009 121.223 -0.063 0.000 2.389 78 L HA 0.885 5.639 4.340 0.690 0.000 0.249 78 L C -1.216 175.665 176.870 0.019 0.000 1.083 78 L CA -1.039 53.947 54.840 0.242 0.000 0.876 78 L CB 1.946 44.218 42.059 0.355 0.000 1.489 78 L HN 0.407 nan 8.230 nan 0.000 0.412 79 S N -0.517 115.289 115.700 0.177 0.000 2.539 79 S HA 0.550 5.434 4.470 0.690 0.000 0.235 79 S C -2.217 172.386 174.600 0.005 0.000 1.326 79 S CA -1.135 57.001 58.200 -0.106 0.000 1.183 79 S CB 1.117 64.155 63.200 -0.270 0.000 1.073 79 S HN 0.581 nan 8.310 nan 0.000 0.480 80 P HA -0.087 nan 4.420 nan 0.000 0.219 80 P C 1.512 178.924 177.300 0.188 0.000 1.146 80 P CA 0.343 63.526 63.100 0.138 0.000 0.808 80 P CB 0.165 31.962 31.700 0.163 0.000 0.779 81 L N -0.356 120.936 121.223 0.114 0.000 1.989 81 L HA -0.159 4.595 4.340 0.690 0.000 0.211 81 L C 2.470 179.455 176.870 0.192 0.000 1.071 81 L CA 2.096 57.039 54.840 0.171 0.000 0.749 81 L CB -1.695 40.424 42.059 0.100 0.000 0.890 81 L HN -0.062 nan 8.230 nan 0.000 0.431 82 S N -0.711 115.067 115.700 0.131 0.000 2.359 82 S HA -0.203 4.681 4.470 0.690 0.000 0.224 82 S C 2.083 176.786 174.600 0.172 0.000 1.035 82 S CA 1.804 60.094 58.200 0.150 0.000 1.018 82 S CB -0.438 62.882 63.200 0.199 0.000 0.876 82 S HN 0.464 nan 8.310 nan 0.000 0.448 83 I N 1.053 121.747 120.570 0.206 0.000 2.163 83 I HA -0.162 4.421 4.170 0.690 0.000 0.243 83 I C 2.616 178.884 176.117 0.252 0.000 1.085 83 I CA 1.346 62.796 61.300 0.250 0.000 1.347 83 I CB -0.591 37.483 38.000 0.123 0.000 1.044 83 I HN 0.308 nan 8.210 nan 0.000 0.408 84 S N 0.329 116.142 115.700 0.187 0.000 2.356 84 S HA -0.165 4.719 4.470 0.690 0.000 0.223 84 S C 2.058 176.758 174.600 0.166 0.000 1.032 84 S CA 1.977 60.260 58.200 0.138 0.000 1.005 84 S CB -0.506 62.874 63.200 0.301 0.000 0.867 84 S HN 0.465 nan 8.310 nan 0.000 0.449 85 T N 2.752 117.368 114.554 0.103 0.000 2.635 85 T HA -0.133 4.630 4.350 0.690 0.000 0.267 85 T C 2.168 176.631 174.700 -0.394 0.000 1.040 85 T CA 1.426 63.311 62.100 -0.358 0.000 1.156 85 T CB -0.688 68.022 68.868 -0.263 0.000 0.863 85 T HN 0.477 nan 8.240 nan 0.000 0.430 86 A N 0.898 123.575 122.820 -0.238 0.000 1.883 86 A HA -0.029 4.704 4.320 0.690 0.000 0.217 86 A C 2.019 179.326 177.584 -0.462 0.000 1.186 86 A CA 1.479 53.309 52.037 -0.345 0.000 0.624 86 A CB -1.080 17.759 19.000 -0.268 0.000 0.822 86 A HN 0.487 nan 8.150 nan 0.000 0.444 87 F N -0.033 119.708 119.950 -0.348 0.000 2.293 87 F HA 0.008 4.950 4.527 0.691 0.000 0.300 87 F C 2.655 178.213 175.800 -0.403 0.000 1.086 87 F CA 0.794 58.517 58.000 -0.462 0.000 1.375 87 F CB -0.181 38.302 39.000 -0.861 0.000 1.045 87 F HN 0.265 nan 8.300 nan 0.000 0.516 88 A N -0.306 122.410 122.820 -0.173 0.000 1.968 88 A HA -0.148 4.585 4.320 0.690 0.000 0.217 88 A C 2.203 179.733 177.584 -0.089 0.000 1.169 88 A CA 1.235 53.248 52.037 -0.040 0.000 0.638 88 A CB -0.597 18.486 19.000 0.139 0.000 0.812 88 A HN 0.323 nan 8.150 nan 0.000 0.446 89 M N -0.773 118.553 119.600 -0.458 0.000 2.132 89 M HA -0.117 4.776 4.480 0.690 0.000 0.263 89 M C 2.145 178.298 176.300 -0.246 0.000 1.065 89 M CA 1.916 56.861 55.300 -0.592 0.000 1.122 89 M CB -0.604 31.540 32.600 -0.760 0.000 1.365 89 M HN 0.396 nan 8.290 nan 0.000 0.411 90 T N 0.081 114.489 114.554 -0.244 0.000 2.833 90 T HA -0.148 4.615 4.350 0.690 0.000 0.269 90 T C 1.716 176.380 174.700 -0.060 0.000 1.054 90 T CA 1.097 63.095 62.100 -0.169 0.000 1.135 90 T CB -0.205 68.505 68.868 -0.263 0.000 0.869 90 T HN 0.344 nan 8.240 nan 0.000 0.466 91 K N 0.699 121.093 120.400 -0.010 0.000 2.281 91 K HA 0.020 4.754 4.320 0.690 0.000 0.203 91 K C 2.061 178.735 176.600 0.123 0.000 1.046 91 K CA 0.671 57.004 56.287 0.076 0.000 0.938 91 K CB -0.281 32.284 32.500 0.107 0.000 0.737 91 K HN 0.329 nan 8.250 nan 0.000 0.458 92 L N -0.619 120.657 121.223 0.087 0.000 2.079 92 L HA -0.156 4.598 4.340 0.690 0.000 0.210 92 L C 2.209 179.124 176.870 0.075 0.000 1.081 92 L CA 1.542 56.414 54.840 0.054 0.000 0.752 92 L CB -0.358 41.739 42.059 0.062 0.000 0.896 92 L HN 0.369 nan 8.230 nan 0.000 0.433 93 G N -1.169 107.632 108.800 0.002 0.000 2.939 93 G HA2 0.274 4.648 3.960 0.690 0.000 0.210 93 G HA3 0.274 4.648 3.960 0.690 0.000 0.210 93 G C 0.672 175.540 174.900 -0.053 0.000 1.160 93 G CA 0.396 45.432 45.100 -0.107 0.000 0.770 93 G HN 0.363 nan 8.290 nan 0.000 0.543 94 A N -0.807 122.009 122.820 -0.006 0.000 2.327 94 A HA 0.613 5.346 4.320 0.690 0.000 0.255 94 A C -0.018 177.588 177.584 0.037 0.000 1.099 94 A CA 0.235 52.281 52.037 0.013 0.000 0.801 94 A CB 0.441 19.461 19.000 0.033 0.000 1.062 94 A HN 0.982 nan 8.150 nan 0.000 0.496 95 C N 0.644 119.971 119.300 0.045 0.000 3.275 95 C HA 0.533 5.406 4.460 0.690 0.000 0.345 95 C C -0.140 174.886 174.990 0.059 0.000 1.257 95 C CA -0.068 58.983 59.018 0.056 0.000 1.203 95 C CB -0.357 27.404 27.740 0.036 0.000 1.492 95 C HN 1.308 nan 8.230 nan 0.000 0.484 96 N N 1.927 120.667 118.700 0.068 0.000 1.275 96 N HA -0.180 4.974 4.740 0.690 0.000 0.130 96 N C 0.076 175.634 175.510 0.080 0.000 0.862 96 N CA 1.268 54.356 53.050 0.063 0.000 0.908 96 N CB -0.927 37.587 38.487 0.045 0.000 1.078 96 N HN 0.915 nan 8.380 nan 0.000 0.600 97 D N 0.709 121.150 120.400 0.069 0.000 2.218 97 D HA -0.042 5.012 4.640 0.690 0.000 0.204 97 D C 1.622 177.974 176.300 0.085 0.000 0.976 97 D CA 1.884 55.931 54.000 0.078 0.000 0.853 97 D CB -0.534 40.304 40.800 0.063 0.000 0.939 97 D HN 0.492 nan 8.370 nan 0.000 0.481 98 T N 0.854 115.451 114.554 0.072 0.000 2.746 98 T HA -0.138 4.626 4.350 0.690 0.000 0.267 98 T C 1.892 176.642 174.700 0.083 0.000 1.039 98 T CA 0.578 62.716 62.100 0.064 0.000 1.142 98 T CB -0.233 68.659 68.868 0.040 0.000 0.866 98 T HN 0.081 nan 8.240 nan 0.000 0.444 99 L N 1.080 122.361 121.223 0.096 0.000 2.072 99 L HA 0.051 4.805 4.340 0.690 0.000 0.205 99 L C 2.498 179.461 176.870 0.154 0.000 1.079 99 L CA 1.717 56.628 54.840 0.117 0.000 0.752 99 L CB -0.823 41.316 42.059 0.133 0.000 0.906 99 L HN 0.057 nan 8.230 nan 0.000 0.436 100 Q N -0.308 119.609 119.800 0.194 0.000 2.135 100 Q HA -0.247 4.507 4.340 0.690 0.000 0.204 100 Q C 2.239 178.350 176.000 0.186 0.000 0.981 100 Q CA 2.042 58.001 55.803 0.261 0.000 0.856 100 Q CB -0.213 28.652 28.738 0.211 0.000 0.902 100 Q HN 0.676 nan 8.270 nan 0.000 0.425 101 Q N -0.674 119.211 119.800 0.141 0.000 2.046 101 Q HA -0.084 4.670 4.340 0.690 0.000 0.200 101 Q C 2.153 178.238 176.000 0.143 0.000 0.975 101 Q CA 1.397 57.273 55.803 0.122 0.000 0.836 101 Q CB -0.104 28.699 28.738 0.108 0.000 0.896 101 Q HN 0.372 nan 8.270 nan 0.000 0.428 102 L N -0.138 121.189 121.223 0.173 0.000 2.046 102 L HA -0.222 4.532 4.340 0.690 0.000 0.208 102 L C 2.451 179.516 176.870 0.326 0.000 1.077 102 L CA 0.751 55.759 54.840 0.280 0.000 0.747 102 L CB -0.340 41.837 42.059 0.196 0.000 0.896 102 L HN 0.372 nan 8.230 nan 0.000 0.432 103 M N -0.524 119.178 119.600 0.170 0.000 2.080 103 M HA -0.215 4.679 4.480 0.690 0.000 0.260 103 M C 2.130 178.480 176.300 0.082 0.000 1.068 103 M CA 1.808 57.161 55.300 0.088 0.000 1.109 103 M CB -1.079 31.255 32.600 -0.444 0.000 1.342 103 M HN 0.268 nan 8.290 nan 0.000 0.405 104 E N -0.151 120.094 120.200 0.075 0.000 2.007 104 E HA -0.148 4.616 4.350 0.690 0.000 0.194 104 E C 2.095 178.686 176.600 -0.015 0.000 0.999 104 E CA 1.418 57.850 56.400 0.053 0.000 0.811 104 E CB -0.297 29.451 29.700 0.080 0.000 0.762 104 E HN 0.201 nan 8.360 nan 0.000 0.450 105 V N 0.751 120.643 119.914 -0.036 0.000 2.317 105 V HA -0.260 4.274 4.120 0.690 0.000 0.251 105 V C 1.720 177.576 176.094 -0.397 0.000 1.065 105 V CA 1.742 63.921 62.300 -0.202 0.000 1.049 105 V CB -0.514 31.140 31.823 -0.282 0.000 0.651 105 V HN 0.221 nan 8.190 nan 0.000 0.450 106 F N -0.027 119.723 119.950 -0.332 0.000 2.731 106 F HA 0.246 5.187 4.527 0.691 0.000 0.304 106 F C 1.266 176.624 175.800 -0.737 0.000 1.133 106 F CA -0.170 57.398 58.000 -0.721 0.000 1.380 106 F CB -0.048 38.285 39.000 -1.111 0.000 1.079 106 F HN 0.008 nan 8.300 nan 0.000 0.550 107 K N -1.651 118.584 120.400 -0.274 0.000 3.341 107 K HA -0.245 4.488 4.320 0.690 0.000 0.305 107 K C 0.591 177.101 176.600 -0.150 0.000 1.270 107 K CA 0.575 56.755 56.287 -0.179 0.000 0.897 107 K CB -2.805 29.613 32.500 -0.137 0.000 1.264 107 K HN 0.299 nan 8.250 nan 0.000 0.468 108 F N 1.638 121.568 119.950 -0.034 0.000 2.699 108 F HA -0.063 4.880 4.527 0.694 0.000 0.298 108 F C 1.939 177.671 175.800 -0.114 0.000 1.154 108 F CA 1.316 59.256 58.000 -0.101 0.000 1.457 108 F CB -0.156 38.749 39.000 -0.158 0.000 1.106 108 F HN 0.195 nan 8.300 nan 0.000 0.585 109 D N -1.497 118.955 120.400 0.087 0.000 2.360 109 D HA -0.030 5.024 4.640 0.690 0.000 0.210 109 D C 0.924 177.291 176.300 0.111 0.000 1.047 109 D CA 0.603 54.686 54.000 0.137 0.000 0.854 109 D CB -1.082 39.844 40.800 0.210 0.000 0.936 109 D HN 0.253 nan 8.370 nan 0.000 0.514 110 T N -0.047 114.539 114.554 0.054 0.000 3.268 110 T HA 0.477 5.241 4.350 0.690 0.000 0.244 110 T C 0.800 175.503 174.700 0.004 0.000 0.915 110 T CA -0.700 61.414 62.100 0.023 0.000 0.935 110 T CB -1.123 67.740 68.868 -0.009 0.000 1.110 110 T HN 0.360 nan 8.240 nan 0.000 0.573 111 I N -3.291 117.297 120.570 0.029 0.000 3.279 111 I HA 0.693 5.277 4.170 0.690 0.000 0.315 111 I C -0.175 175.962 176.117 0.032 0.000 1.225 111 I CA -1.643 59.661 61.300 0.008 0.000 0.947 111 I CB 1.660 39.653 38.000 -0.011 0.000 1.293 111 I HN 0.083 nan 8.210 nan 0.000 0.468 112 S N 0.144 115.854 115.700 0.016 0.000 2.566 112 S HA 0.020 4.904 4.470 0.690 0.000 0.280 112 S C 0.882 175.505 174.600 0.038 0.000 1.343 112 S CA 0.313 58.526 58.200 0.023 0.000 1.036 112 S CB 1.155 64.359 63.200 0.005 0.000 0.866 112 S HN 0.918 nan 8.310 nan 0.000 0.526 113 E N 1.658 121.886 120.200 0.045 0.000 2.033 113 E HA -0.291 4.473 4.350 0.690 0.000 0.199 113 E C 1.995 178.633 176.600 0.064 0.000 1.011 113 E CA 1.736 58.174 56.400 0.063 0.000 0.815 113 E CB -0.226 29.500 29.700 0.044 0.000 0.755 113 E HN 0.810 nan 8.360 nan 0.000 0.451 114 K N -0.468 119.956 120.400 0.039 0.000 2.032 114 K HA -0.157 4.576 4.320 0.690 0.000 0.209 114 K C 2.143 178.779 176.600 0.060 0.000 1.048 114 K CA 2.103 58.419 56.287 0.049 0.000 0.927 114 K CB -0.193 32.327 32.500 0.032 0.000 0.712 114 K HN 0.127 nan 8.250 nan 0.000 0.441 115 T N 0.120 114.662 114.554 -0.021 0.000 2.720 115 T HA -0.158 4.605 4.350 0.690 0.000 0.268 115 T C 1.980 176.702 174.700 0.036 0.000 1.037 115 T CA 1.610 63.673 62.100 -0.062 0.000 1.144 115 T CB -0.383 68.379 68.868 -0.176 0.000 0.864 115 T HN 0.290 nan 8.240 nan 0.000 0.444 116 S N 1.005 116.734 115.700 0.047 0.000 2.359 116 S HA -0.154 4.729 4.470 0.690 0.000 0.224 116 S C 1.517 176.152 174.600 0.060 0.000 1.035 116 S CA 1.244 59.480 58.200 0.060 0.000 1.018 116 S CB -0.531 62.769 63.200 0.168 0.000 0.876 116 S HN 0.414 nan 8.310 nan 0.000 0.448 117 D N 0.602 121.073 120.400 0.118 0.000 2.352 117 D HA 0.064 5.117 4.640 0.690 0.000 0.232 117 D C 0.496 176.854 176.300 0.097 0.000 1.055 117 D CA 0.452 54.523 54.000 0.118 0.000 0.891 117 D CB 0.157 41.026 40.800 0.116 0.000 0.897 117 D HN 0.416 nan 8.370 nan 0.000 0.529 118 Q N 0.196 120.066 119.800 0.117 0.000 2.074 118 Q HA 0.115 4.869 4.340 0.690 0.000 0.265 118 Q C 1.495 177.630 176.000 0.225 0.000 0.855 118 Q CA -0.295 55.625 55.803 0.196 0.000 1.083 118 Q CB 0.956 29.902 28.738 0.345 0.000 1.260 118 Q HN 0.137 nan 8.270 nan 0.000 0.427 119 I N 0.139 120.685 120.570 -0.041 0.000 2.068 119 I HA -0.332 4.251 4.170 0.690 0.000 0.238 119 I C 1.901 177.991 176.117 -0.045 0.000 1.046 119 I CA 2.035 63.222 61.300 -0.189 0.000 1.306 119 I CB -1.205 36.385 38.000 -0.683 0.000 1.023 119 I HN 0.442 nan 8.210 nan 0.000 0.399 120 H N -0.379 118.747 119.070 0.093 0.000 2.321 120 H HA -0.274 4.696 4.556 0.690 0.000 0.295 120 H C 2.105 177.410 175.328 -0.039 0.000 1.102 120 H CA 2.213 58.297 56.048 0.060 0.000 1.266 120 H CB -0.613 29.157 29.762 0.015 0.000 1.363 120 H HN 0.299 nan 8.280 nan 0.000 0.492 121 F N 0.617 120.536 119.950 -0.051 0.000 2.095 121 F HA -0.211 4.730 4.527 0.690 0.000 0.298 121 F C 1.603 177.204 175.800 -0.331 0.000 1.104 121 F CA 1.276 59.120 58.000 -0.259 0.000 1.232 121 F CB -0.340 38.414 39.000 -0.410 0.000 0.987 121 F HN 0.008 nan 8.300 nan 0.000 0.475 122 F N -1.422 118.628 119.950 0.168 0.000 2.558 122 F HA -0.056 4.884 4.527 0.689 0.000 0.298 122 F C 1.978 177.795 175.800 0.028 0.000 1.119 122 F CA 0.517 58.562 58.000 0.076 0.000 1.451 122 F CB -0.863 38.211 39.000 0.123 0.000 1.091 122 F HN -0.010 nan 8.300 nan 0.000 0.563 123 F N 0.500 120.475 119.950 0.043 0.000 2.234 123 F HA 0.031 4.971 4.527 0.689 0.000 0.296 123 F C 2.354 178.124 175.800 -0.050 0.000 1.089 123 F CA 0.625 58.655 58.000 0.050 0.000 1.343 123 F CB -0.878 38.185 39.000 0.104 0.000 1.040 123 F HN -0.068 nan 8.300 nan 0.000 0.498 124 A N -0.026 122.788 122.820 -0.010 0.000 1.902 124 A HA -0.164 4.570 4.320 0.690 0.000 0.217 124 A C 2.347 179.847 177.584 -0.139 0.000 1.181 124 A CA 1.403 53.328 52.037 -0.187 0.000 0.623 124 A CB -0.459 18.288 19.000 -0.421 0.000 0.818 124 A HN 0.136 nan 8.150 nan 0.000 0.443 125 K N -0.599 119.673 120.400 -0.213 0.000 2.025 125 K HA -0.098 4.636 4.320 0.690 0.000 0.207 125 K C 1.956 178.570 176.600 0.024 0.000 1.049 125 K CA 1.325 57.539 56.287 -0.121 0.000 0.933 125 K CB -0.940 31.505 32.500 -0.092 0.000 0.714 125 K HN 0.456 nan 8.250 nan 0.000 0.438 126 L N 2.362 123.639 121.223 0.090 0.000 2.012 126 L HA -0.189 4.564 4.340 0.690 0.000 0.210 126 L C 1.616 178.528 176.870 0.069 0.000 1.073 126 L CA 1.848 56.742 54.840 0.089 0.000 0.748 126 L CB -0.845 41.267 42.059 0.089 0.000 0.891 126 L HN 0.133 nan 8.230 nan 0.000 0.431 127 N N -0.483 118.320 118.700 0.170 0.000 2.104 127 N HA -0.212 4.942 4.740 0.690 0.000 0.190 127 N C 1.940 177.513 175.510 0.105 0.000 1.024 127 N CA 1.879 55.050 53.050 0.201 0.000 0.853 127 N CB -1.085 37.656 38.487 0.422 0.000 1.008 127 N HN 0.474 nan 8.380 nan 0.000 0.424 128 C N 0.748 120.098 119.300 0.083 0.000 2.401 128 C HA -0.072 4.802 4.460 0.690 0.000 0.276 128 C C 2.746 177.750 174.990 0.023 0.000 1.233 128 C CA 0.370 59.421 59.018 0.055 0.000 1.753 128 C CB -1.020 26.721 27.740 0.001 0.000 2.029 128 C HN 0.468 nan 8.230 nan 0.000 0.478 129 R N 0.107 120.605 120.500 -0.003 0.000 2.092 129 R HA -0.026 4.728 4.340 0.690 0.000 0.231 129 R C 2.064 178.321 176.300 -0.072 0.000 1.119 129 R CA 1.113 57.206 56.100 -0.012 0.000 0.970 129 R CB -0.179 30.127 30.300 0.010 0.000 0.864 129 R HN 0.534 nan 8.270 nan 0.000 0.440 130 L N -1.085 120.013 121.223 -0.208 0.000 2.007 130 L HA -0.150 4.604 4.340 0.690 0.000 0.205 130 L C 1.714 178.342 176.870 -0.403 0.000 1.073 130 L CA 1.332 55.917 54.840 -0.426 0.000 0.744 130 L CB -0.369 41.177 42.059 -0.856 0.000 0.898 130 L HN 0.225 nan 8.230 nan 0.000 0.435 131 Y N -1.768 118.584 120.300 0.087 0.000 2.497 131 Y HA 0.157 5.120 4.550 0.689 0.000 0.265 131 Y C 1.828 177.766 175.900 0.063 0.000 1.111 131 Y CA -0.157 57.992 58.100 0.082 0.000 1.288 131 Y CB 0.049 38.557 38.460 0.081 0.000 1.082 131 Y HN -0.061 nan 8.280 nan 0.000 0.536 132 R N 1.740 122.327 120.500 0.146 0.000 2.552 132 R HA 0.129 4.883 4.340 0.690 0.000 0.314 132 R C -0.309 176.031 176.300 0.066 0.000 1.041 132 R CA -0.115 56.047 56.100 0.103 0.000 1.076 132 R CB -0.117 30.233 30.300 0.084 0.000 1.290 132 R HN 0.424 nan 8.270 nan 0.000 0.563 133 K N 0.481 120.916 120.400 0.059 0.000 2.338 133 K HA 0.422 5.156 4.320 0.690 0.000 0.290 133 K C -0.032 176.600 176.600 0.053 0.000 1.069 133 K CA -0.206 56.109 56.287 0.048 0.000 0.941 133 K CB 1.079 33.603 32.500 0.041 0.000 1.023 133 K HN -0.131 nan 8.250 nan 0.000 0.477 134 A N 4.017 126.865 122.820 0.046 0.000 2.531 134 A HA -0.000 4.733 4.320 0.690 0.000 0.236 134 A C 0.433 178.044 177.584 0.044 0.000 1.062 134 A CA 0.305 52.368 52.037 0.043 0.000 0.760 134 A CB -0.392 18.629 19.000 0.036 0.000 0.995 134 A HN 1.066 nan 8.150 nan 0.000 0.501 135 N N -0.338 118.388 118.700 0.044 0.000 2.688 135 N HA -0.147 5.006 4.740 0.690 0.000 0.261 135 N C -0.512 175.030 175.510 0.054 0.000 1.116 135 N CA 1.254 54.331 53.050 0.045 0.000 0.689 135 N CB -1.062 37.450 38.487 0.042 0.000 0.882 135 N HN 0.863 nan 8.380 nan 0.000 0.554 136 K N -0.157 120.277 120.400 0.057 0.000 2.281 136 K HA 0.469 5.202 4.320 0.690 0.000 0.272 136 K C 0.972 177.610 176.600 0.064 0.000 1.048 136 K CA -0.163 56.165 56.287 0.067 0.000 0.898 136 K CB 1.213 33.757 32.500 0.073 0.000 1.128 136 K HN 0.274 nan 8.250 nan 0.000 0.460 137 S N 1.854 117.599 115.700 0.076 0.000 2.428 137 S HA -0.038 4.846 4.470 0.690 0.000 0.230 137 S C 0.569 175.206 174.600 0.062 0.000 1.014 137 S CA 0.099 58.345 58.200 0.076 0.000 0.957 137 S CB -0.019 63.241 63.200 0.100 0.000 0.784 137 S HN 0.544 nan 8.310 nan 0.000 0.499 138 S N 0.944 116.684 115.700 0.067 0.000 2.568 138 S HA 0.489 5.373 4.470 0.690 0.000 0.302 138 S C -0.649 173.945 174.600 -0.010 0.000 1.082 138 S CA -0.903 57.294 58.200 -0.003 0.000 1.009 138 S CB 1.796 65.037 63.200 0.069 0.000 1.069 138 S HN 0.392 nan 8.310 nan 0.000 0.500 139 K N 2.034 122.356 120.400 -0.130 0.000 2.267 139 K HA 0.452 5.186 4.320 0.690 0.000 0.282 139 K C -1.541 175.074 176.600 0.025 0.000 1.078 139 K CA -0.441 55.819 56.287 -0.044 0.000 0.903 139 K CB 0.224 32.691 32.500 -0.054 0.000 1.111 139 K HN 0.437 nan 8.250 nan 0.000 0.475 140 L N 6.459 127.793 121.223 0.186 0.000 2.406 140 L HA 0.388 5.142 4.340 0.690 0.000 0.270 140 L C -1.370 175.744 176.870 0.405 0.000 0.982 140 L CA -0.622 54.415 54.840 0.329 0.000 0.843 140 L CB 1.695 43.963 42.059 0.348 0.000 1.225 140 L HN 0.439 nan 8.230 nan 0.000 0.412 141 V N 1.166 121.297 119.914 0.362 0.000 2.962 141 V HA 0.951 5.485 4.120 0.690 0.000 0.313 141 V C -0.574 175.484 176.094 -0.060 0.000 1.099 141 V CA -0.486 61.926 62.300 0.188 0.000 0.971 141 V CB 1.810 33.710 31.823 0.128 0.000 1.028 141 V HN 0.745 nan 8.190 nan 0.000 0.430 142 S N 1.150 116.571 115.700 -0.465 0.000 2.546 142 S HA 0.929 5.812 4.470 0.690 0.000 0.274 142 S C -0.711 173.711 174.600 -0.296 0.000 1.121 142 S CA 0.114 58.001 58.200 -0.522 0.000 0.887 142 S CB 1.724 64.221 63.200 -1.172 0.000 1.094 142 S HN 2.198 nan 8.310 nan 0.000 0.474 143 A N 3.598 126.333 122.820 -0.141 0.000 2.427 143 A HA 0.775 5.509 4.320 0.690 0.000 0.298 143 A C -1.166 176.539 177.584 0.201 0.000 1.036 143 A CA -0.809 51.238 52.037 0.016 0.000 0.701 143 A CB 1.103 20.077 19.000 -0.042 0.000 1.250 143 A HN 0.722 nan 8.150 nan 0.000 0.412 144 N N 0.637 119.458 118.700 0.201 0.000 2.432 144 N HA 0.873 6.027 4.740 0.690 0.000 0.292 144 N C -0.506 175.006 175.510 0.002 0.000 1.193 144 N CA -0.504 52.622 53.050 0.126 0.000 0.878 144 N CB 1.856 40.334 38.487 -0.015 0.000 1.252 144 N HN 0.737 nan 8.380 nan 0.000 0.520 145 R N -0.083 120.280 120.500 -0.229 0.000 2.728 145 R HA 0.454 5.208 4.340 0.690 0.000 0.259 145 R C -2.090 173.880 176.300 -0.550 0.000 1.057 145 R CA -0.397 55.332 56.100 -0.619 0.000 0.908 145 R CB 0.678 30.121 30.300 -1.428 0.000 1.259 145 R HN 0.512 nan 8.270 nan 0.000 0.472 146 L N 3.832 124.648 121.223 -0.677 0.000 2.346 146 L HA 0.649 5.402 4.340 0.690 0.000 0.276 146 L C -0.904 175.554 176.870 -0.687 0.000 1.006 146 L CA -0.746 53.806 54.840 -0.479 0.000 0.817 146 L CB 1.535 43.358 42.059 -0.394 0.000 1.272 146 L HN 0.521 nan 8.230 nan 0.000 0.421 147 F N 0.747 120.582 119.950 -0.192 0.000 2.499 147 F HA 0.674 5.615 4.527 0.689 0.000 0.333 147 F C 0.561 176.393 175.800 0.053 0.000 1.138 147 F CA -0.584 57.364 58.000 -0.087 0.000 0.945 147 F CB 2.205 41.243 39.000 0.063 0.000 1.181 147 F HN 0.400 nan 8.300 nan 0.000 0.435 148 G N 1.415 110.231 108.800 0.026 0.000 2.571 148 G HA2 0.390 4.764 3.960 0.690 0.000 0.304 148 G HA3 0.390 4.764 3.960 0.690 0.000 0.304 148 G C -1.770 173.190 174.900 0.100 0.000 1.314 148 G CA -0.765 44.408 45.100 0.120 0.000 0.975 148 G HN 0.466 nan 8.290 nan 0.000 0.485 149 D N 0.607 121.194 120.400 0.311 0.000 2.487 149 D HA 0.038 5.092 4.640 0.690 0.000 0.243 149 D C 1.644 177.991 176.300 0.077 0.000 1.154 149 D CA 0.097 54.129 54.000 0.053 0.000 0.876 149 D CB 0.872 41.812 40.800 0.234 0.000 1.161 149 D HN 0.271 nan 8.370 nan 0.000 0.478 150 K N 1.780 122.146 120.400 -0.058 0.000 2.228 150 K HA -0.178 4.555 4.320 0.690 0.000 0.205 150 K C 1.766 178.377 176.600 0.018 0.000 1.045 150 K CA 1.540 57.814 56.287 -0.023 0.000 0.931 150 K CB -0.225 32.237 32.500 -0.064 0.000 0.727 150 K HN 0.557 nan 8.250 nan 0.000 0.458 151 S N 0.271 115.983 115.700 0.020 0.000 2.470 151 S HA 0.038 4.922 4.470 0.690 0.000 0.225 151 S C 1.159 175.758 174.600 -0.001 0.000 1.006 151 S CA -0.087 58.118 58.200 0.010 0.000 0.934 151 S CB -0.217 62.986 63.200 0.005 0.000 0.778 151 S HN 0.053 nan 8.310 nan 0.000 0.517 152 L N 1.526 122.750 121.223 0.002 0.000 2.468 152 L HA 0.396 5.149 4.340 0.690 0.000 0.254 152 L C -0.036 176.776 176.870 -0.096 0.000 1.171 152 L CA -0.335 54.431 54.840 -0.123 0.000 0.809 152 L CB 0.601 42.457 42.059 -0.338 0.000 1.155 152 L HN -0.006 nan 8.230 nan 0.000 0.473 153 T N 1.114 115.547 114.554 -0.202 0.000 2.842 153 T HA 0.474 5.237 4.350 0.690 0.000 0.308 153 T C -0.486 174.106 174.700 -0.180 0.000 1.041 153 T CA -0.314 61.735 62.100 -0.085 0.000 0.964 153 T CB 0.062 68.895 68.868 -0.059 0.000 0.972 153 T HN 0.071 nan 8.240 nan 0.000 0.460 154 F N 2.410 122.366 119.950 0.010 0.000 2.370 154 F HA 0.344 5.284 4.527 0.690 0.000 0.324 154 F C 1.237 177.064 175.800 0.046 0.000 1.116 154 F CA -1.081 56.938 58.000 0.032 0.000 1.123 154 F CB 0.597 39.644 39.000 0.077 0.000 1.238 154 F HN 0.362 nan 8.300 nan 0.000 0.536 155 N N 2.004 120.851 118.700 0.244 0.000 2.440 155 N HA -0.067 5.086 4.740 0.690 0.000 0.265 155 N C 0.828 176.459 175.510 0.201 0.000 1.239 155 N CA 0.463 53.617 53.050 0.174 0.000 0.909 155 N CB 0.503 39.081 38.487 0.152 0.000 1.066 155 N HN 0.687 nan 8.380 nan 0.000 0.474 156 E N 1.966 122.233 120.200 0.112 0.000 2.051 156 E HA -0.161 4.603 4.350 0.690 0.000 0.192 156 E C 1.115 177.743 176.600 0.046 0.000 0.991 156 E CA 1.756 58.197 56.400 0.067 0.000 0.799 156 E CB 0.081 29.802 29.700 0.035 0.000 0.748 156 E HN 0.687 nan 8.360 nan 0.000 0.449 157 T N 0.547 115.135 114.554 0.056 0.000 2.720 157 T HA -0.221 4.543 4.350 0.690 0.000 0.268 157 T C 1.602 176.327 174.700 0.042 0.000 1.037 157 T CA 1.454 63.576 62.100 0.037 0.000 1.144 157 T CB -0.493 68.401 68.868 0.044 0.000 0.864 157 T HN 0.287 nan 8.240 nan 0.000 0.444 158 Y N 2.112 122.405 120.300 -0.013 0.000 2.128 158 Y HA -0.225 4.738 4.550 0.689 0.000 0.284 158 Y C 2.478 178.350 175.900 -0.047 0.000 1.154 158 Y CA 1.443 59.528 58.100 -0.025 0.000 1.149 158 Y CB -0.602 37.862 38.460 0.007 0.000 0.976 158 Y HN 0.257 nan 8.280 nan 0.000 0.505 159 Q N -0.080 119.590 119.800 -0.215 0.000 2.020 159 Q HA -0.217 4.537 4.340 0.690 0.000 0.202 159 Q C 1.882 177.718 176.000 -0.273 0.000 0.982 159 Q CA 1.774 57.381 55.803 -0.326 0.000 0.838 159 Q CB -0.303 28.353 28.738 -0.137 0.000 0.899 159 Q HN 0.484 nan 8.270 nan 0.000 0.423 160 D N 0.684 120.991 120.400 -0.156 0.000 2.133 160 D HA -0.179 4.875 4.640 0.690 0.000 0.195 160 D C 1.804 178.017 176.300 -0.145 0.000 0.997 160 D CA 1.172 55.097 54.000 -0.125 0.000 0.840 160 D CB -0.250 40.506 40.800 -0.072 0.000 0.947 160 D HN 0.273 nan 8.370 nan 0.000 0.452 161 I N 0.516 120.990 120.570 -0.159 0.000 2.315 161 I HA -0.212 4.372 4.170 0.690 0.000 0.248 161 I C 2.199 178.199 176.117 -0.195 0.000 1.117 161 I CA 0.761 61.967 61.300 -0.157 0.000 1.404 161 I CB -0.190 37.731 38.000 -0.131 0.000 1.071 161 I HN -0.083 nan 8.210 nan 0.000 0.419 162 S N 0.293 115.825 115.700 -0.281 0.000 2.368 162 S HA -0.231 4.653 4.470 0.690 0.000 0.224 162 S C 1.939 176.449 174.600 -0.150 0.000 1.029 162 S CA 1.419 59.491 58.200 -0.212 0.000 0.988 162 S CB -0.304 62.620 63.200 -0.459 0.000 0.838 162 S HN 0.480 nan 8.310 nan 0.000 0.462 163 E N 0.628 120.710 120.200 -0.197 0.000 2.106 163 E HA -0.139 4.625 4.350 0.690 0.000 0.192 163 E C 2.053 178.575 176.600 -0.130 0.000 0.984 163 E CA 0.788 57.093 56.400 -0.158 0.000 0.806 163 E CB -0.109 29.495 29.700 -0.160 0.000 0.750 163 E HN 0.331 nan 8.360 nan 0.000 0.458 164 L N 0.098 121.239 121.223 -0.137 0.000 2.023 164 L HA -0.108 4.646 4.340 0.690 0.000 0.205 164 L C 2.178 178.945 176.870 -0.171 0.000 1.073 164 L CA 1.359 56.122 54.840 -0.127 0.000 0.745 164 L CB -0.290 41.706 42.059 -0.106 0.000 0.900 164 L HN 0.035 nan 8.230 nan 0.000 0.435 165 V N -1.544 118.225 119.914 -0.242 0.000 2.379 165 V HA -0.187 4.346 4.120 0.690 0.000 0.243 165 V C 1.765 177.528 176.094 -0.552 0.000 1.035 165 V CA 1.432 63.475 62.300 -0.428 0.000 1.035 165 V CB -0.671 30.807 31.823 -0.575 0.000 0.673 165 V HN 0.415 nan 8.190 nan 0.000 0.457 166 Y N 0.440 120.648 120.300 -0.154 0.000 2.458 166 Y HA 0.482 5.445 4.550 0.689 0.000 0.256 166 Y C 1.923 177.738 175.900 -0.141 0.000 1.159 166 Y CA 0.118 58.121 58.100 -0.161 0.000 1.261 166 Y CB -0.091 38.246 38.460 -0.206 0.000 1.119 166 Y HN 0.315 nan 8.280 nan 0.000 0.524 167 G N 0.889 109.663 108.800 -0.044 0.000 2.203 167 G HA2 -0.241 4.133 3.960 0.690 0.000 0.263 167 G HA3 -0.241 4.133 3.960 0.690 0.000 0.263 167 G C 0.226 175.085 174.900 -0.068 0.000 1.012 167 G CA 0.264 45.330 45.100 -0.056 0.000 0.749 167 G HN 0.619 nan 8.290 nan 0.000 0.512 168 A N 0.215 122.981 122.820 -0.091 0.000 2.366 168 A HA 0.650 5.384 4.320 0.690 0.000 0.322 168 A C 0.712 178.143 177.584 -0.256 0.000 1.397 168 A CA -0.243 51.687 52.037 -0.178 0.000 0.984 168 A CB 0.394 19.280 19.000 -0.191 0.000 1.149 168 A HN 0.420 nan 8.150 nan 0.000 0.540 169 K N 1.098 121.330 120.400 -0.280 0.000 2.138 169 K HA 0.369 5.103 4.320 0.690 0.000 0.251 169 K C -0.600 175.748 176.600 -0.420 0.000 1.015 169 K CA -0.301 55.805 56.287 -0.302 0.000 0.917 169 K CB 1.110 33.454 32.500 -0.260 0.000 1.021 169 K HN 0.651 nan 8.250 nan 0.000 0.485 170 L N 2.176 123.168 121.223 -0.384 0.000 2.262 170 L HA 0.167 4.921 4.340 0.690 0.000 0.288 170 L C -0.583 176.032 176.870 -0.425 0.000 1.035 170 L CA -0.259 54.314 54.840 -0.445 0.000 0.820 170 L CB 1.001 42.820 42.059 -0.401 0.000 1.204 170 L HN 0.541 nan 8.230 nan 0.000 0.424 171 Q N 7.508 126.976 119.800 -0.553 0.000 2.303 171 Q HA 0.454 5.208 4.340 0.690 0.000 0.257 171 Q C -2.468 173.371 176.000 -0.267 0.000 0.941 171 Q CA -2.020 53.529 55.803 -0.424 0.000 0.931 171 Q CB 1.583 29.978 28.738 -0.573 0.000 1.215 171 Q HN 0.364 nan 8.270 nan 0.000 0.437 172 P HA 0.194 nan 4.420 nan 0.000 0.287 172 P C -1.040 176.156 177.300 -0.173 0.000 1.281 172 P CA 0.011 63.017 63.100 -0.156 0.000 0.781 172 P CB 0.998 32.633 31.700 -0.108 0.000 0.903 173 L N 2.341 123.372 121.223 -0.321 0.000 2.309 173 L HA 0.426 5.180 4.340 0.690 0.000 0.261 173 L C 0.391 176.896 176.870 -0.608 0.000 1.021 173 L CA -0.755 53.813 54.840 -0.454 0.000 0.823 173 L CB 2.027 43.745 42.059 -0.567 0.000 1.366 173 L HN 0.219 nan 8.230 nan 0.000 0.423 174 D N 0.284 120.438 120.400 -0.410 0.000 2.639 174 D HA 0.203 5.257 4.640 0.690 0.000 0.233 174 D C 0.621 176.823 176.300 -0.162 0.000 1.161 174 D CA -0.210 53.639 54.000 -0.252 0.000 1.003 174 D CB 0.262 40.995 40.800 -0.112 0.000 1.034 174 D HN 0.202 nan 8.370 nan 0.000 0.514 175 F N 1.443 121.409 119.950 0.027 0.000 2.146 175 F HA -0.022 4.919 4.527 0.690 0.000 0.298 175 F C 2.363 178.174 175.800 0.018 0.000 1.096 175 F CA 0.566 58.578 58.000 0.019 0.000 1.275 175 F CB -0.653 38.363 39.000 0.028 0.000 1.008 175 F HN 0.228 nan 8.300 nan 0.000 0.480 176 K N 0.453 120.964 120.400 0.185 0.000 2.144 176 K HA -0.227 4.507 4.320 0.690 0.000 0.209 176 K C 1.501 178.145 176.600 0.073 0.000 1.047 176 K CA 2.159 58.511 56.287 0.109 0.000 0.927 176 K CB -0.167 32.373 32.500 0.067 0.000 0.716 176 K HN 0.408 nan 8.250 nan 0.000 0.454 177 E N -2.232 118.000 120.200 0.054 0.000 2.500 177 E HA 0.104 4.868 4.350 0.690 0.000 0.217 177 E C -0.254 176.368 176.600 0.037 0.000 0.848 177 E CA 0.010 56.432 56.400 0.037 0.000 1.217 177 E CB 0.604 30.315 29.700 0.018 0.000 1.217 177 E HN 0.140 nan 8.360 nan 0.000 0.573 178 N N 0.646 119.371 118.700 0.041 0.000 2.696 178 N HA 0.245 5.398 4.740 0.690 0.000 0.308 178 N C 0.240 175.801 175.510 0.085 0.000 1.915 178 N CA 0.035 53.109 53.050 0.040 0.000 0.906 178 N CB 1.065 39.558 38.487 0.010 0.000 1.284 178 N HN 0.072 nan 8.380 nan 0.000 0.488 179 A N 0.306 123.196 122.820 0.116 0.000 1.851 179 A HA -0.228 4.506 4.320 0.690 0.000 0.216 179 A C 2.074 179.724 177.584 0.110 0.000 1.195 179 A CA 1.726 53.861 52.037 0.163 0.000 0.622 179 A CB -0.398 18.666 19.000 0.107 0.000 0.831 179 A HN 0.424 nan 8.150 nan 0.000 0.444 180 E N -0.219 120.014 120.200 0.055 0.000 2.058 180 E HA -0.262 4.502 4.350 0.690 0.000 0.194 180 E C 2.192 178.805 176.600 0.022 0.000 0.997 180 E CA 2.023 58.438 56.400 0.025 0.000 0.801 180 E CB -0.427 29.280 29.700 0.011 0.000 0.746 180 E HN 0.688 nan 8.360 nan 0.000 0.450 181 Q N -0.325 119.491 119.800 0.026 0.000 2.084 181 Q HA -0.146 4.608 4.340 0.690 0.000 0.202 181 Q C 2.173 178.184 176.000 0.018 0.000 0.978 181 Q CA 1.860 57.671 55.803 0.014 0.000 0.844 181 Q CB -0.145 28.597 28.738 0.008 0.000 0.898 181 Q HN 0.273 nan 8.270 nan 0.000 0.426 182 S N 0.551 116.284 115.700 0.055 0.000 2.382 182 S HA -0.188 4.695 4.470 0.690 0.000 0.228 182 S C 1.776 176.412 174.600 0.059 0.000 1.027 182 S CA 1.374 59.624 58.200 0.082 0.000 0.991 182 S CB -0.339 63.002 63.200 0.234 0.000 0.823 182 S HN 0.410 nan 8.310 nan 0.000 0.469 183 R N 1.485 122.012 120.500 0.045 0.000 2.083 183 R HA -0.107 4.647 4.340 0.690 0.000 0.237 183 R C 2.339 178.597 176.300 -0.070 0.000 1.137 183 R CA 1.515 57.592 56.100 -0.038 0.000 0.951 183 R CB -0.580 29.692 30.300 -0.047 0.000 0.851 183 R HN 0.366 nan 8.270 nan 0.000 0.434 184 A N 0.747 123.541 122.820 -0.043 0.000 1.972 184 A HA -0.097 4.637 4.320 0.690 0.000 0.219 184 A C 2.366 179.927 177.584 -0.039 0.000 1.169 184 A CA 1.672 53.685 52.037 -0.041 0.000 0.635 184 A CB -0.695 18.290 19.000 -0.025 0.000 0.810 184 A HN 0.597 nan 8.150 nan 0.000 0.446 185 A N 0.166 122.962 122.820 -0.040 0.000 1.877 185 A HA -0.092 4.642 4.320 0.690 0.000 0.216 185 A C 2.116 179.661 177.584 -0.066 0.000 1.186 185 A CA 1.510 53.533 52.037 -0.024 0.000 0.620 185 A CB -0.626 18.365 19.000 -0.015 0.000 0.822 185 A HN 0.495 nan 8.150 nan 0.000 0.443 186 I N 0.087 120.498 120.570 -0.264 0.000 2.163 186 I HA -0.308 4.275 4.170 0.690 0.000 0.243 186 I C 2.222 178.280 176.117 -0.099 0.000 1.085 186 I CA 1.466 62.468 61.300 -0.498 0.000 1.347 186 I CB -0.574 37.039 38.000 -0.645 0.000 1.044 186 I HN 0.318 nan 8.210 nan 0.000 0.408 187 N N 0.998 119.651 118.700 -0.078 0.000 2.104 187 N HA -0.223 4.931 4.740 0.690 0.000 0.190 187 N C 1.783 177.295 175.510 0.004 0.000 1.024 187 N CA 1.280 54.312 53.050 -0.031 0.000 0.853 187 N CB -0.358 38.094 38.487 -0.058 0.000 1.008 187 N HN 0.346 nan 8.380 nan 0.000 0.424 188 K N -0.540 119.869 120.400 0.016 0.000 2.147 188 K HA -0.169 4.565 4.320 0.690 0.000 0.205 188 K C 2.008 178.645 176.600 0.061 0.000 1.049 188 K CA 0.922 57.221 56.287 0.021 0.000 0.936 188 K CB -0.151 32.365 32.500 0.027 0.000 0.722 188 K HN 0.226 nan 8.250 nan 0.000 0.446 189 W N 0.621 121.910 121.300 -0.019 0.000 2.379 189 W HA -0.169 4.904 4.660 0.689 0.000 0.307 189 W C 1.541 178.066 176.519 0.009 0.000 1.200 189 W CA 1.071 58.437 57.345 0.035 0.000 1.297 189 W CB -0.380 29.186 29.460 0.177 0.000 1.140 189 W HN -0.211 nan 8.180 nan 0.000 0.507 190 V N 0.352 120.287 119.914 0.034 0.000 2.392 190 V HA -0.329 4.205 4.120 0.690 0.000 0.249 190 V C 2.503 178.448 176.094 -0.248 0.000 1.059 190 V CA 2.209 64.412 62.300 -0.162 0.000 1.051 190 V CB -1.373 30.471 31.823 0.035 0.000 0.658 190 V HN 0.354 nan 8.190 nan 0.000 0.455 191 S N 0.138 115.735 115.700 -0.172 0.000 2.368 191 S HA -0.242 4.641 4.470 0.690 0.000 0.224 191 S C 2.106 176.555 174.600 -0.252 0.000 1.029 191 S CA 1.799 59.891 58.200 -0.181 0.000 0.988 191 S CB -0.602 62.521 63.200 -0.127 0.000 0.838 191 S HN 0.718 nan 8.310 nan 0.000 0.462 192 N N 0.972 119.505 118.700 -0.278 0.000 2.069 192 N HA -0.162 4.991 4.740 0.690 0.000 0.191 192 N C 1.361 176.631 175.510 -0.400 0.000 1.031 192 N CA 1.452 54.319 53.050 -0.305 0.000 0.852 192 N CB -0.192 38.125 38.487 -0.283 0.000 1.018 192 N HN 0.319 nan 8.380 nan 0.000 0.423 193 K N 0.098 120.163 120.400 -0.558 0.000 2.103 193 K HA -0.030 4.703 4.320 0.690 0.000 0.204 193 K C 1.694 178.037 176.600 -0.428 0.000 1.052 193 K CA 1.330 57.297 56.287 -0.535 0.000 0.945 193 K CB -1.094 30.960 32.500 -0.742 0.000 0.722 193 K HN 0.448 nan 8.250 nan 0.000 0.443 194 T N -0.892 113.441 114.554 -0.368 0.000 3.312 194 T HA 0.198 4.962 4.350 0.690 0.000 0.251 194 T C -0.265 174.163 174.700 -0.454 0.000 1.012 194 T CA -0.280 61.638 62.100 -0.303 0.000 0.925 194 T CB -0.184 68.628 68.868 -0.094 0.000 1.049 194 T HN 0.057 nan 8.240 nan 0.000 0.583 195 E N 0.564 120.437 120.200 -0.546 0.000 2.360 195 E HA -0.146 4.618 4.350 0.690 0.000 0.238 195 E C 1.157 177.576 176.600 -0.302 0.000 1.186 195 E CA 0.977 57.100 56.400 -0.461 0.000 0.719 195 E CB -1.885 27.436 29.700 -0.632 0.000 1.236 195 E HN 0.989 nan 8.360 nan 0.000 0.386 196 G N -0.864 107.780 108.800 -0.260 0.000 2.187 196 G HA2 -0.440 3.933 3.960 0.690 0.000 0.261 196 G HA3 -0.440 3.933 3.960 0.690 0.000 0.261 196 G C 1.001 175.743 174.900 -0.263 0.000 1.000 196 G CA 0.853 45.823 45.100 -0.216 0.000 0.718 196 G HN 0.307 nan 8.290 nan 0.000 0.519 197 R N -0.581 119.731 120.500 -0.314 0.000 2.128 197 R HA 0.329 5.082 4.340 0.690 0.000 0.211 197 R C 1.309 177.429 176.300 -0.300 0.000 1.067 197 R CA 0.780 56.572 56.100 -0.513 0.000 1.010 197 R CB 0.190 30.151 30.300 -0.564 0.000 0.922 197 R HN 0.434 nan 8.270 nan 0.000 0.457 198 I N 1.606 122.086 120.570 -0.149 0.000 2.328 198 I HA 0.197 4.781 4.170 0.690 0.000 0.287 198 I C 0.490 176.558 176.117 -0.081 0.000 1.012 198 I CA 0.110 61.373 61.300 -0.060 0.000 1.195 198 I CB 1.201 39.194 38.000 -0.013 0.000 1.350 198 I HN 0.176 nan 8.210 nan 0.000 0.464 199 T N -0.567 113.948 114.554 -0.065 0.000 3.004 199 T HA 0.208 4.972 4.350 0.690 0.000 0.266 199 T C 0.427 175.095 174.700 -0.053 0.000 0.986 199 T CA -0.061 62.000 62.100 -0.066 0.000 0.902 199 T CB 0.657 69.484 68.868 -0.069 0.000 1.118 199 T HN 0.479 nan 8.240 nan 0.000 0.522 200 D N 1.067 121.438 120.400 -0.048 0.000 2.714 200 D HA 0.269 5.323 4.640 0.690 0.000 0.264 200 D C 0.843 177.097 176.300 -0.078 0.000 1.231 200 D CA -0.026 53.936 54.000 -0.064 0.000 0.802 200 D CB 1.524 42.291 40.800 -0.056 0.000 1.319 200 D HN 0.046 nan 8.370 nan 0.000 0.528 201 V N 1.037 120.905 119.914 -0.077 0.000 2.407 201 V HA 0.069 4.603 4.120 0.690 0.000 0.245 201 V C 1.408 177.392 176.094 -0.183 0.000 1.041 201 V CA 0.822 63.077 62.300 -0.075 0.000 1.040 201 V CB -0.017 31.793 31.823 -0.021 0.000 0.671 201 V HN 0.447 nan 8.190 nan 0.000 0.455 202 I N 3.604 124.037 120.570 -0.228 0.000 2.325 202 I HA 0.270 4.853 4.170 0.690 0.000 0.291 202 I C -2.176 173.673 176.117 -0.447 0.000 1.019 202 I CA -1.891 59.145 61.300 -0.439 0.000 1.302 202 I CB 1.289 39.147 38.000 -0.236 0.000 1.401 202 I HN 0.132 nan 8.210 nan 0.000 0.485 203 P HA 0.084 nan 4.420 nan 0.000 0.274 203 P C -0.344 176.810 177.300 -0.245 0.000 1.237 203 P CA -0.385 62.486 63.100 -0.382 0.000 0.793 203 P CB 0.751 32.209 31.700 -0.404 0.000 0.977 204 S N 0.093 115.708 115.700 -0.141 0.000 2.563 204 S HA -0.012 4.872 4.470 0.690 0.000 0.284 204 S C 0.549 175.112 174.600 -0.061 0.000 1.331 204 S CA -0.017 58.132 58.200 -0.085 0.000 1.047 204 S CB -0.370 62.797 63.200 -0.054 0.000 0.859 204 S HN 0.511 nan 8.310 nan 0.000 0.514 205 E N -0.562 119.616 120.200 -0.037 0.000 3.547 205 E HA -0.293 4.471 4.350 0.690 0.000 0.300 205 E C 1.133 177.736 176.600 0.006 0.000 0.857 205 E CA 1.135 57.529 56.400 -0.009 0.000 1.039 205 E CB -1.813 27.889 29.700 0.005 0.000 1.524 205 E HN 0.812 nan 8.360 nan 0.000 0.457 206 A N -0.150 122.660 122.820 -0.016 0.000 1.897 206 A HA 0.099 4.833 4.320 0.690 0.000 0.215 206 A C 1.081 178.688 177.584 0.038 0.000 1.181 206 A CA 1.008 53.078 52.037 0.054 0.000 0.620 206 A CB 0.139 19.135 19.000 -0.007 0.000 0.821 206 A HN 0.273 nan 8.150 nan 0.000 0.443 207 I N 1.048 121.599 120.570 -0.032 0.000 2.385 207 I HA 0.273 4.857 4.170 0.690 0.000 0.294 207 I C -0.202 175.891 176.117 -0.040 0.000 0.988 207 I CA -0.635 60.609 61.300 -0.094 0.000 1.265 207 I CB 1.364 39.262 38.000 -0.170 0.000 1.388 207 I HN 0.569 nan 8.210 nan 0.000 0.480 208 N N 3.288 121.966 118.700 -0.036 0.000 3.343 208 N HA 0.221 5.374 4.740 0.690 0.000 0.330 208 N C 0.158 175.697 175.510 0.049 0.000 1.560 208 N CA -0.772 52.289 53.050 0.019 0.000 0.752 208 N CB 0.272 38.776 38.487 0.029 0.000 1.863 208 N HN 0.409 nan 8.380 nan 0.000 0.636 209 E N -0.349 119.888 120.200 0.062 0.000 2.160 209 E HA -0.033 4.731 4.350 0.690 0.000 0.195 209 E C 0.873 177.523 176.600 0.083 0.000 0.991 209 E CA 1.167 57.615 56.400 0.080 0.000 0.810 209 E CB -0.273 29.464 29.700 0.061 0.000 0.742 209 E HN 0.384 nan 8.360 nan 0.000 0.466 210 L N 1.458 122.718 121.223 0.061 0.000 2.645 210 L HA 0.179 4.933 4.340 0.690 0.000 0.234 210 L C 0.010 176.898 176.870 0.031 0.000 1.165 210 L CA 0.441 55.316 54.840 0.058 0.000 0.944 210 L CB -1.475 40.626 42.059 0.069 0.000 1.149 210 L HN 0.007 nan 8.230 nan 0.000 0.446 211 T N -0.244 114.314 114.554 0.007 0.000 2.814 211 T HA 0.271 5.034 4.350 0.690 0.000 0.297 211 T C 1.556 176.283 174.700 0.044 0.000 0.956 211 T CA -0.121 61.914 62.100 -0.108 0.000 1.123 211 T CB 2.552 71.182 68.868 -0.398 0.000 0.902 211 T HN -0.126 nan 8.240 nan 0.000 0.528 212 V N 3.047 122.977 119.914 0.026 0.000 2.490 212 V HA 0.323 4.857 4.120 0.690 0.000 0.238 212 V C 0.321 176.635 176.094 0.367 0.000 1.056 212 V CA 0.490 62.903 62.300 0.188 0.000 1.075 212 V CB -0.016 31.852 31.823 0.074 0.000 0.746 212 V HN 0.626 nan 8.190 nan 0.000 0.479 213 L N -0.853 120.473 121.223 0.172 0.000 2.415 213 L HA 0.750 5.503 4.340 0.690 0.000 0.256 213 L C -1.467 175.404 176.870 0.002 0.000 1.010 213 L CA -0.457 54.498 54.840 0.190 0.000 0.826 213 L CB 2.427 44.606 42.059 0.199 0.000 1.405 213 L HN -0.109 nan 8.230 nan 0.000 0.410 214 V N 4.020 123.973 119.914 0.065 0.000 2.524 214 V HA 0.467 5.001 4.120 0.690 0.000 0.297 214 V C -0.970 175.168 176.094 0.073 0.000 1.035 214 V CA -0.392 61.920 62.300 0.020 0.000 0.867 214 V CB 1.630 33.457 31.823 0.007 0.000 1.004 214 V HN 0.556 nan 8.190 nan 0.000 0.426 215 L N 5.978 127.182 121.223 -0.033 0.000 2.282 215 L HA 0.751 5.505 4.340 0.690 0.000 0.288 215 L C -0.255 176.580 176.870 -0.058 0.000 1.033 215 L CA -0.221 54.567 54.840 -0.086 0.000 0.807 215 L CB 1.682 43.632 42.059 -0.183 0.000 1.209 215 L HN 0.394 nan 8.230 nan 0.000 0.423 216 V N 2.731 122.643 119.914 -0.003 0.000 2.735 216 V HA 0.580 5.114 4.120 0.690 0.000 0.310 216 V C -0.514 175.641 176.094 0.102 0.000 1.061 216 V CA -0.750 61.607 62.300 0.096 0.000 0.913 216 V CB 2.101 34.102 31.823 0.297 0.000 1.005 216 V HN 0.848 nan 8.190 nan 0.000 0.428 217 N N 1.706 120.468 118.700 0.104 0.000 2.265 217 N HA 0.687 5.841 4.740 0.690 0.000 0.300 217 N C -1.243 174.336 175.510 0.115 0.000 1.148 217 N CA -0.116 52.984 53.050 0.084 0.000 0.772 217 N CB 2.876 41.356 38.487 -0.010 0.000 1.434 217 N HN 0.874 nan 8.380 nan 0.000 0.481 218 T N -0.033 114.565 114.554 0.074 0.000 2.952 218 T HA 0.609 5.373 4.350 0.690 0.000 0.305 218 T C -0.522 174.195 174.700 0.028 0.000 1.064 218 T CA -0.666 61.453 62.100 0.033 0.000 1.008 218 T CB 0.711 69.529 68.868 -0.083 0.000 1.078 218 T HN 0.362 nan 8.240 nan 0.000 0.459 219 I N 2.890 123.527 120.570 0.112 0.000 2.545 219 I HA 0.559 5.142 4.170 0.690 0.000 0.292 219 I C -1.566 174.782 176.117 0.386 0.000 1.040 219 I CA -1.218 60.191 61.300 0.180 0.000 1.068 219 I CB 2.418 40.497 38.000 0.133 0.000 1.251 219 I HN 0.803 nan 8.210 nan 0.000 0.424 220 Y N 7.187 127.637 120.300 0.250 0.000 2.354 220 Y HA 0.563 5.528 4.550 0.692 0.000 0.330 220 Y C -1.897 174.202 175.900 0.332 0.000 1.011 220 Y CA -1.070 57.192 58.100 0.270 0.000 1.099 220 Y CB 1.554 40.063 38.460 0.082 0.000 1.179 220 Y HN 0.444 nan 8.280 nan 0.000 0.442 221 F N 6.881 126.588 119.950 -0.404 0.000 2.520 221 F HA 0.727 5.671 4.527 0.696 0.000 0.322 221 F C -1.579 173.772 175.800 -0.748 0.000 1.103 221 F CA -0.789 56.973 58.000 -0.396 0.000 0.926 221 F CB 1.564 40.541 39.000 -0.040 0.000 1.154 221 F HN 0.431 nan 8.300 nan 0.000 0.453 222 K N 4.201 123.659 120.400 -1.569 0.000 2.731 222 K HA 0.605 5.339 4.320 0.690 0.000 0.257 222 K C -1.218 174.661 176.600 -1.201 0.000 1.032 222 K CA -0.261 55.290 56.287 -1.226 0.000 0.983 222 K CB 1.097 33.221 32.500 -0.626 0.000 1.248 222 K HN 0.912 nan 8.250 nan 0.000 0.484 223 G N 2.819 110.746 108.800 -1.457 0.000 2.600 223 G HA2 0.687 5.061 3.960 0.690 0.000 0.303 223 G HA3 0.687 5.061 3.960 0.690 0.000 0.303 223 G C -1.319 173.420 174.900 -0.268 0.000 1.253 223 G CA -0.913 43.696 45.100 -0.819 0.000 0.974 223 G HN 0.403 nan 8.290 nan 0.000 0.483 224 L N 0.040 121.300 121.223 0.061 0.000 2.325 224 L HA 0.407 5.161 4.340 0.690 0.000 0.278 224 L C -0.311 176.797 176.870 0.396 0.000 1.023 224 L CA -0.819 54.111 54.840 0.150 0.000 0.811 224 L CB 1.817 43.944 42.059 0.113 0.000 1.249 224 L HN 0.596 nan 8.230 nan 0.000 0.431 225 W N 2.657 124.136 121.300 0.299 0.000 2.193 225 W HA 0.015 5.085 4.660 0.683 0.000 0.338 225 W C 1.520 178.116 176.519 0.129 0.000 1.310 225 W CA -0.258 57.174 57.345 0.146 0.000 1.243 225 W CB 0.761 30.321 29.460 0.166 0.000 1.165 225 W HN 0.613 nan 8.180 nan 0.000 0.566 226 K N 0.782 121.404 120.400 0.371 0.000 2.062 226 K HA -0.082 4.652 4.320 0.690 0.000 0.205 226 K C 0.267 176.945 176.600 0.130 0.000 1.051 226 K CA 1.145 57.554 56.287 0.204 0.000 0.941 226 K CB -0.054 32.526 32.500 0.134 0.000 0.719 226 K HN 0.303 nan 8.250 nan 0.000 0.440 227 S N 2.428 118.190 115.700 0.103 0.000 2.505 227 S HA 0.170 5.053 4.470 0.690 0.000 0.280 227 S C -1.055 173.549 174.600 0.007 0.000 1.197 227 S CA -1.000 57.190 58.200 -0.018 0.000 1.138 227 S CB 1.180 64.274 63.200 -0.176 0.000 1.010 227 S HN 0.263 nan 8.310 nan 0.000 0.480 228 K N 1.101 121.577 120.400 0.126 0.000 2.187 228 K HA 0.471 5.205 4.320 0.690 0.000 0.247 228 K C -0.803 175.838 176.600 0.068 0.000 1.019 228 K CA -0.151 56.294 56.287 0.264 0.000 0.893 228 K CB 0.138 32.823 32.500 0.309 0.000 1.025 228 K HN 0.228 nan 8.250 nan 0.000 0.500 229 F N -0.039 119.963 119.950 0.087 0.000 2.399 229 F HA 0.339 5.278 4.527 0.686 0.000 0.328 229 F C 0.199 176.043 175.800 0.073 0.000 1.084 229 F CA -0.736 57.284 58.000 0.033 0.000 1.053 229 F CB 1.933 40.947 39.000 0.023 0.000 1.209 229 F HN 0.436 nan 8.300 nan 0.000 0.502 230 S N 3.316 119.151 115.700 0.225 0.000 2.429 230 S HA 0.257 5.141 4.470 0.690 0.000 0.302 230 S C -1.915 172.790 174.600 0.175 0.000 1.115 230 S CA -1.061 57.238 58.200 0.165 0.000 1.095 230 S CB 1.553 64.821 63.200 0.113 0.000 0.987 230 S HN 0.343 nan 8.310 nan 0.000 0.474 231 P HA -0.158 nan 4.420 nan 0.000 0.221 231 P C 1.383 178.743 177.300 0.100 0.000 1.145 231 P CA 0.721 63.892 63.100 0.119 0.000 0.795 231 P CB 0.147 31.904 31.700 0.095 0.000 0.775 232 E N -1.097 119.159 120.200 0.093 0.000 2.511 232 E HA -0.065 4.699 4.350 0.690 0.000 0.196 232 E C 0.571 177.218 176.600 0.078 0.000 1.066 232 E CA 0.813 57.257 56.400 0.073 0.000 0.871 232 E CB -0.662 29.073 29.700 0.059 0.000 0.863 232 E HN 0.213 nan 8.360 nan 0.000 0.520 233 N N 0.324 119.094 118.700 0.117 0.000 2.184 233 N HA 0.054 5.208 4.740 0.690 0.000 0.206 233 N C -0.573 175.032 175.510 0.160 0.000 1.151 233 N CA 0.178 53.309 53.050 0.135 0.000 0.878 233 N CB 0.917 39.547 38.487 0.239 0.000 1.014 233 N HN -0.019 nan 8.380 nan 0.000 0.512 234 T N 2.078 116.721 114.554 0.148 0.000 2.794 234 T HA 0.322 5.086 4.350 0.690 0.000 0.296 234 T C 0.579 175.340 174.700 0.102 0.000 0.949 234 T CA -0.117 62.068 62.100 0.141 0.000 1.101 234 T CB 1.239 70.178 68.868 0.118 0.000 0.905 234 T HN -0.081 nan 8.240 nan 0.000 0.516 235 R N 1.958 122.521 120.500 0.106 0.000 3.055 235 R HA 0.674 5.427 4.340 0.690 0.000 0.231 235 R C -0.375 175.967 176.300 0.070 0.000 1.443 235 R CA -0.975 55.169 56.100 0.074 0.000 1.063 235 R CB 1.087 31.424 30.300 0.062 0.000 1.514 235 R HN 0.496 nan 8.270 nan 0.000 0.510 236 K N 0.835 121.268 120.400 0.054 0.000 2.426 236 K HA 0.322 5.056 4.320 0.690 0.000 0.251 236 K C -1.271 175.358 176.600 0.049 0.000 0.941 236 K CA -0.405 55.914 56.287 0.052 0.000 0.808 236 K CB 1.985 34.511 32.500 0.044 0.000 1.265 236 K HN 0.711 nan 8.250 nan 0.000 0.432 237 E N 3.502 123.737 120.200 0.059 0.000 2.407 237 E HA 0.277 5.041 4.350 0.690 0.000 0.279 237 E C -1.201 175.452 176.600 0.088 0.000 1.012 237 E CA -0.987 55.452 56.400 0.065 0.000 0.800 237 E CB 1.095 30.828 29.700 0.055 0.000 1.276 237 E HN 0.318 nan 8.360 nan 0.000 0.452 238 L N 1.842 123.127 121.223 0.103 0.000 2.331 238 L HA 0.372 5.126 4.340 0.690 0.000 0.278 238 L C -0.550 176.414 176.870 0.156 0.000 1.106 238 L CA -0.626 54.270 54.840 0.093 0.000 0.824 238 L CB 0.284 42.398 42.059 0.092 0.000 1.142 238 L HN 0.503 nan 8.230 nan 0.000 0.443 239 F N 3.354 123.274 119.950 -0.050 0.000 2.415 239 F HA 0.388 5.325 4.527 0.684 0.000 0.348 239 F C -0.683 175.053 175.800 -0.106 0.000 1.119 239 F CA -0.517 57.477 58.000 -0.008 0.000 1.069 239 F CB 0.680 39.647 39.000 -0.055 0.000 1.124 239 F HN 0.179 nan 8.300 nan 0.000 0.472 240 Y N 5.589 125.536 120.300 -0.589 0.000 2.341 240 Y HA 0.364 5.327 4.550 0.688 0.000 0.340 240 Y C 0.207 175.880 175.900 -0.378 0.000 0.997 240 Y CA -0.634 57.260 58.100 -0.344 0.000 1.149 240 Y CB 0.939 39.242 38.460 -0.261 0.000 1.171 240 Y HN 0.462 nan 8.280 nan 0.000 0.494 241 K N 1.505 121.903 120.400 -0.003 0.000 2.126 241 K HA 0.457 5.191 4.320 0.690 0.000 0.257 241 K C 0.974 177.603 176.600 0.048 0.000 1.007 241 K CA 0.043 56.383 56.287 0.089 0.000 0.928 241 K CB 0.977 33.535 32.500 0.098 0.000 1.013 241 K HN 0.787 nan 8.250 nan 0.000 0.473 242 A N 2.041 124.893 122.820 0.053 0.000 1.948 242 A HA -0.238 4.496 4.320 0.690 0.000 0.220 242 A C 1.649 179.253 177.584 0.034 0.000 1.177 242 A CA 2.256 54.314 52.037 0.034 0.000 0.636 242 A CB -0.684 18.338 19.000 0.037 0.000 0.815 242 A HN 0.983 nan 8.150 nan 0.000 0.449 243 D N -2.424 118.000 120.400 0.040 0.000 2.264 243 D HA 0.126 5.180 4.640 0.690 0.000 0.208 243 D C 1.288 177.610 176.300 0.037 0.000 0.966 243 D CA 1.375 55.396 54.000 0.035 0.000 0.864 243 D CB -0.216 40.606 40.800 0.037 0.000 0.933 243 D HN 0.823 nan 8.370 nan 0.000 0.499 244 G N 0.643 109.471 108.800 0.048 0.000 2.296 244 G HA2 -0.200 4.174 3.960 0.690 0.000 0.188 244 G HA3 -0.200 4.174 3.960 0.690 0.000 0.188 244 G C 0.117 175.043 174.900 0.043 0.000 1.000 244 G CA -0.149 44.993 45.100 0.070 0.000 0.672 244 G HN 0.393 nan 8.290 nan 0.000 0.483 245 E N 0.407 120.602 120.200 -0.008 0.000 2.385 245 E HA 0.686 5.450 4.350 0.690 0.000 0.254 245 E C -0.008 176.462 176.600 -0.216 0.000 1.228 245 E CA 0.153 56.507 56.400 -0.076 0.000 0.956 245 E CB 0.964 30.644 29.700 -0.034 0.000 1.116 245 E HN 0.233 nan 8.360 nan 0.000 0.507 246 S N -0.676 114.870 115.700 -0.257 0.000 2.661 246 S HA 0.663 5.547 4.470 0.690 0.000 0.285 246 S C -1.018 173.493 174.600 -0.148 0.000 1.138 246 S CA -0.842 57.140 58.200 -0.363 0.000 0.855 246 S CB 1.275 64.098 63.200 -0.628 0.000 1.136 246 S HN 0.751 nan 8.310 nan 0.000 0.484 247 C N -0.651 118.597 119.300 -0.087 0.000 3.311 247 C HA 0.813 5.687 4.460 0.690 0.000 0.325 247 C C -0.367 174.625 174.990 0.003 0.000 1.352 247 C CA -0.969 58.029 59.018 -0.033 0.000 1.308 247 C CB 0.836 28.552 27.740 -0.040 0.000 1.619 247 C HN 0.669 nan 8.230 nan 0.000 0.469 248 S N 0.822 116.523 115.700 0.003 0.000 2.513 248 S HA 0.726 5.610 4.470 0.690 0.000 0.276 248 S C 0.083 174.700 174.600 0.028 0.000 1.254 248 S CA -0.035 58.179 58.200 0.024 0.000 1.053 248 S CB 0.975 64.186 63.200 0.019 0.000 0.958 248 S HN 1.388 nan 8.310 nan 0.000 0.491 249 A N 2.883 125.737 122.820 0.056 0.000 2.319 249 A HA 0.609 5.343 4.320 0.690 0.000 0.310 249 A C -0.089 177.534 177.584 0.066 0.000 1.152 249 A CA -0.690 51.379 52.037 0.054 0.000 0.783 249 A CB 0.802 19.855 19.000 0.089 0.000 1.184 249 A HN 0.606 nan 8.150 nan 0.000 0.474 250 S N 2.399 118.137 115.700 0.063 0.000 2.416 250 S HA 0.245 5.129 4.470 0.690 0.000 0.302 250 S C 0.005 174.657 174.600 0.086 0.000 1.120 250 S CA -0.032 58.210 58.200 0.070 0.000 1.067 250 S CB -0.348 62.888 63.200 0.060 0.000 1.057 250 S HN 0.670 nan 8.310 nan 0.000 0.518 251 M N 5.223 124.883 119.600 0.100 0.000 2.108 251 M HA 0.341 5.235 4.480 0.690 0.000 0.347 251 M C -0.379 176.030 176.300 0.181 0.000 1.326 251 M CA 0.125 55.504 55.300 0.132 0.000 1.126 251 M CB 0.042 32.716 32.600 0.122 0.000 1.606 251 M HN 0.508 nan 8.290 nan 0.000 0.462 252 M N 4.301 123.984 119.600 0.138 0.000 2.250 252 M HA 0.249 5.142 4.480 0.690 0.000 0.344 252 M C -0.996 175.489 176.300 0.308 0.000 1.150 252 M CA -0.205 55.184 55.300 0.149 0.000 1.147 252 M CB 0.796 33.288 32.600 -0.179 0.000 1.498 252 M HN 0.656 nan 8.290 nan 0.000 0.461 253 Y N 1.644 122.069 120.300 0.209 0.000 2.499 253 Y HA 0.559 5.523 4.550 0.691 0.000 0.347 253 Y C -0.963 174.939 175.900 0.003 0.000 0.987 253 Y CA -0.490 57.596 58.100 -0.024 0.000 1.044 253 Y CB 1.659 40.069 38.460 -0.083 0.000 1.245 253 Y HN 0.720 nan 8.280 nan 0.000 0.461 254 Q N 3.322 122.431 119.800 -1.153 0.000 2.633 254 Q HA 0.318 5.072 4.340 0.690 0.000 0.289 254 Q C -2.168 173.220 176.000 -1.021 0.000 0.940 254 Q CA -0.904 54.308 55.803 -0.985 0.000 0.785 254 Q CB 2.553 30.649 28.738 -1.070 0.000 1.467 254 Q HN 0.850 nan 8.270 nan 0.000 0.401 255 E N 0.400 120.257 120.200 -0.572 0.000 2.287 255 E HA 0.671 5.435 4.350 0.690 0.000 0.274 255 E C -1.396 175.111 176.600 -0.156 0.000 0.896 255 E CA -0.371 55.833 56.400 -0.327 0.000 0.788 255 E CB 1.629 31.200 29.700 -0.216 0.000 1.244 255 E HN 0.798 nan 8.360 nan 0.000 0.408 256 G N 2.898 111.674 108.800 -0.041 0.000 2.349 256 G HA2 0.189 4.563 3.960 0.690 0.000 0.294 256 G HA3 0.189 4.563 3.960 0.690 0.000 0.294 256 G C -1.456 173.383 174.900 -0.103 0.000 1.380 256 G CA -0.965 44.072 45.100 -0.106 0.000 0.811 256 G HN 0.344 nan 8.290 nan 0.000 0.519 257 K N -0.229 119.986 120.400 -0.308 0.000 2.298 257 K HA 0.597 5.331 4.320 0.690 0.000 0.280 257 K C -1.344 174.944 176.600 -0.521 0.000 1.032 257 K CA 0.239 56.374 56.287 -0.254 0.000 0.958 257 K CB 0.806 33.182 32.500 -0.207 0.000 0.978 257 K HN 0.284 nan 8.250 nan 0.000 0.472 258 F N 0.256 120.162 119.950 -0.073 0.000 2.641 258 F HA 0.295 5.238 4.527 0.693 0.000 0.308 258 F C 0.000 175.810 175.800 0.016 0.000 1.105 258 F CA -1.068 56.903 58.000 -0.047 0.000 0.964 258 F CB 1.572 40.525 39.000 -0.079 0.000 1.294 258 F HN 0.194 nan 8.300 nan 0.000 0.442 259 R N 2.062 122.697 120.500 0.225 0.000 2.343 259 R HA 0.247 5.001 4.340 0.690 0.000 0.326 259 R C -1.370 175.053 176.300 0.204 0.000 1.055 259 R CA -0.045 56.153 56.100 0.163 0.000 0.961 259 R CB 0.313 30.681 30.300 0.114 0.000 0.978 259 R HN 0.629 nan 8.270 nan 0.000 0.443 260 Y N 1.906 122.232 120.300 0.043 0.000 2.605 260 Y HA 0.602 5.573 4.550 0.702 0.000 0.343 260 Y C -1.074 174.820 175.900 -0.010 0.000 1.036 260 Y CA -1.405 56.699 58.100 0.006 0.000 1.065 260 Y CB 1.894 40.352 38.460 -0.003 0.000 1.288 260 Y HN 0.424 nan 8.280 nan 0.000 0.481 261 R N 3.015 122.933 120.500 -0.970 0.000 2.678 261 R HA 0.291 5.045 4.340 0.690 0.000 0.267 261 R C -2.171 173.622 176.300 -0.845 0.000 1.173 261 R CA -0.608 55.098 56.100 -0.658 0.000 1.061 261 R CB 0.966 31.089 30.300 -0.296 0.000 1.262 261 R HN 0.836 nan 8.270 nan 0.000 0.427 262 R N 4.496 124.670 120.500 -0.542 0.000 2.202 262 R HA 0.468 5.221 4.340 0.690 0.000 0.334 262 R C 0.120 176.291 176.300 -0.216 0.000 1.036 262 R CA -0.420 55.486 56.100 -0.322 0.000 0.878 262 R CB 0.574 30.838 30.300 -0.061 0.000 1.067 262 R HN 0.517 nan 8.270 nan 0.000 0.457 263 V N 1.841 121.605 119.914 -0.251 0.000 3.842 263 V HA 0.701 5.234 4.120 0.690 0.000 0.281 263 V C 0.414 176.457 176.094 -0.085 0.000 1.228 263 V CA -0.632 61.569 62.300 -0.166 0.000 0.897 263 V CB 0.349 32.020 31.823 -0.252 0.000 1.257 263 V HN 0.833 nan 8.190 nan 0.000 0.451 264 A N -0.268 122.541 122.820 -0.018 0.000 2.587 264 A HA 0.227 4.961 4.320 0.690 0.000 0.235 264 A C 0.797 178.379 177.584 -0.004 0.000 1.044 264 A CA 0.940 52.987 52.037 0.016 0.000 0.754 264 A CB -1.258 17.785 19.000 0.071 0.000 0.968 264 A HN 1.283 nan 8.150 nan 0.000 0.509 265 E N 0.535 120.736 120.200 0.002 0.000 2.722 265 E HA -0.272 4.492 4.350 0.690 0.000 0.265 265 E C 0.924 177.513 176.600 -0.017 0.000 1.081 265 E CA 1.077 57.477 56.400 -0.001 0.000 0.781 265 E CB -2.048 27.659 29.700 0.011 0.000 1.372 265 E HN 2.327 nan 8.360 nan 0.000 0.423 266 G N -0.189 108.592 108.800 -0.031 0.000 2.160 266 G HA2 -0.347 4.026 3.960 0.690 0.000 0.251 266 G HA3 -0.347 4.026 3.960 0.690 0.000 0.251 266 G C 0.248 175.108 174.900 -0.067 0.000 1.008 266 G CA 0.531 45.608 45.100 -0.038 0.000 0.724 266 G HN 0.269 nan 8.290 nan 0.000 0.514 267 T N 1.482 115.967 114.554 -0.114 0.000 2.779 267 T HA 0.427 5.191 4.350 0.690 0.000 0.296 267 T C 0.597 175.141 174.700 -0.261 0.000 0.938 267 T CA 0.163 62.156 62.100 -0.178 0.000 1.119 267 T CB 1.019 69.738 68.868 -0.248 0.000 0.891 267 T HN 0.473 nan 8.240 nan 0.000 0.526 268 Q N 1.824 121.506 119.800 -0.197 0.000 2.259 268 Q HA 0.543 5.297 4.340 0.690 0.000 0.249 268 Q C -0.774 175.041 176.000 -0.309 0.000 0.914 268 Q CA -0.704 54.960 55.803 -0.231 0.000 0.904 268 Q CB 1.451 30.210 28.738 0.035 0.000 1.213 268 Q HN 0.383 nan 8.270 nan 0.000 0.428 269 V N 3.616 123.263 119.914 -0.444 0.000 2.443 269 V HA 0.377 4.911 4.120 0.690 0.000 0.293 269 V C -1.074 174.909 176.094 -0.186 0.000 1.021 269 V CA -0.725 61.382 62.300 -0.321 0.000 0.848 269 V CB 1.463 33.041 31.823 -0.407 0.000 0.998 269 V HN 0.538 nan 8.190 nan 0.000 0.424 270 L N 3.890 125.105 121.223 -0.013 0.000 2.362 270 L HA 0.722 5.476 4.340 0.690 0.000 0.271 270 L C -0.426 176.484 176.870 0.066 0.000 1.002 270 L CA -0.067 54.816 54.840 0.071 0.000 0.818 270 L CB 2.006 44.091 42.059 0.044 0.000 1.298 270 L HN 0.786 nan 8.230 nan 0.000 0.420 271 E N 4.164 124.421 120.200 0.094 0.000 2.187 271 E HA 0.503 5.267 4.350 0.690 0.000 0.268 271 E C -1.682 175.003 176.600 0.140 0.000 0.896 271 E CA -0.600 55.877 56.400 0.128 0.000 0.766 271 E CB 1.263 31.048 29.700 0.143 0.000 1.142 271 E HN 0.705 nan 8.360 nan 0.000 0.408 272 L N 6.555 127.846 121.223 0.113 0.000 2.356 272 L HA 0.408 5.162 4.340 0.690 0.000 0.264 272 L C -2.377 174.572 176.870 0.131 0.000 1.029 272 L CA -2.025 52.846 54.840 0.052 0.000 0.897 272 L CB 1.242 43.162 42.059 -0.232 0.000 1.256 272 L HN 0.356 nan 8.230 nan 0.000 0.444 273 P HA 0.145 nan 4.420 nan 0.000 0.271 273 P C -0.514 176.903 177.300 0.195 0.000 1.216 273 P CA 0.039 63.253 63.100 0.190 0.000 0.771 273 P CB 0.533 32.333 31.700 0.168 0.000 0.864 274 F N 1.244 121.419 119.950 0.376 0.000 2.348 274 F HA 0.324 5.263 4.527 0.686 0.000 0.308 274 F C 1.376 177.323 175.800 0.245 0.000 1.175 274 F CA -0.335 57.876 58.000 0.351 0.000 1.080 274 F CB 0.299 39.489 39.000 0.317 0.000 1.341 274 F HN 0.071 nan 8.300 nan 0.000 0.518 275 K N 0.636 121.283 120.400 0.411 0.000 2.472 275 K HA 0.347 5.081 4.320 0.690 0.000 0.280 275 K C 0.631 177.363 176.600 0.220 0.000 1.028 275 K CA 1.054 57.492 56.287 0.251 0.000 1.045 275 K CB -0.232 32.384 32.500 0.194 0.000 0.902 275 K HN 0.707 nan 8.250 nan 0.000 0.478 276 G N 3.395 112.296 108.800 0.168 0.000 2.232 276 G HA2 -0.287 4.087 3.960 0.690 0.000 0.226 276 G HA3 -0.287 4.087 3.960 0.690 0.000 0.226 276 G C 0.415 175.402 174.900 0.145 0.000 0.996 276 G CA 0.312 45.497 45.100 0.141 0.000 0.626 276 G HN 0.762 nan 8.290 nan 0.000 0.509 277 D N 0.283 120.794 120.400 0.184 0.000 3.006 277 D HA -0.212 4.842 4.640 0.690 0.000 0.208 277 D C 1.341 177.744 176.300 0.172 0.000 1.116 277 D CA 2.087 56.192 54.000 0.174 0.000 0.998 277 D CB -0.919 39.952 40.800 0.119 0.000 1.124 277 D HN 0.699 nan 8.370 nan 0.000 0.413 278 D N 0.342 120.845 120.400 0.171 0.000 2.178 278 D HA -0.092 4.962 4.640 0.690 0.000 0.202 278 D C 0.885 177.286 176.300 0.167 0.000 0.974 278 D CA 0.985 55.073 54.000 0.146 0.000 0.841 278 D CB 0.066 40.942 40.800 0.127 0.000 0.953 278 D HN 0.406 nan 8.370 nan 0.000 0.478 279 I N 0.013 120.728 120.570 0.240 0.000 2.545 279 I HA 0.372 4.956 4.170 0.690 0.000 0.292 279 I C -0.410 175.979 176.117 0.454 0.000 1.040 279 I CA -0.732 60.727 61.300 0.265 0.000 1.068 279 I CB 2.396 40.508 38.000 0.186 0.000 1.251 279 I HN -0.071 nan 8.210 nan 0.000 0.424 280 T N 2.773 117.565 114.554 0.396 0.000 2.883 280 T HA 0.591 5.354 4.350 0.690 0.000 0.301 280 T C -0.822 174.121 174.700 0.404 0.000 1.158 280 T CA -0.858 61.482 62.100 0.399 0.000 1.007 280 T CB 2.121 71.143 68.868 0.256 0.000 1.186 280 T HN 0.586 nan 8.240 nan 0.000 0.499 281 M N 3.038 122.865 119.600 0.380 0.000 2.205 281 M HA 0.624 5.518 4.480 0.690 0.000 0.344 281 M C -1.588 174.908 176.300 0.327 0.000 1.085 281 M CA -0.730 54.821 55.300 0.417 0.000 1.001 281 M CB 1.040 33.947 32.600 0.512 0.000 1.626 281 M HN 0.620 nan 8.290 nan 0.000 0.442 282 V N 6.528 126.659 119.914 0.362 0.000 2.472 282 V HA 0.493 5.027 4.120 0.690 0.000 0.290 282 V C -0.378 175.953 176.094 0.394 0.000 1.037 282 V CA -0.668 61.812 62.300 0.300 0.000 0.908 282 V CB 1.538 33.478 31.823 0.196 0.000 0.985 282 V HN 0.803 nan 8.190 nan 0.000 0.454 283 L N 5.550 126.940 121.223 0.278 0.000 2.356 283 L HA 0.603 5.357 4.340 0.690 0.000 0.277 283 L C -0.919 176.068 176.870 0.196 0.000 0.996 283 L CA -0.488 54.532 54.840 0.300 0.000 0.822 283 L CB 1.933 44.109 42.059 0.194 0.000 1.256 283 L HN 0.409 nan 8.230 nan 0.000 0.413 284 I N 5.000 125.719 120.570 0.248 0.000 2.382 284 I HA 0.376 4.960 4.170 0.690 0.000 0.286 284 I C -0.752 175.426 176.117 0.102 0.000 1.002 284 I CA -0.524 60.825 61.300 0.083 0.000 1.135 284 I CB 1.610 39.682 38.000 0.120 0.000 1.288 284 I HN 0.374 nan 8.210 nan 0.000 0.448 285 L N 8.882 130.108 121.223 0.005 0.000 2.319 285 L HA 0.542 5.295 4.340 0.690 0.000 0.281 285 L C -2.122 174.735 176.870 -0.022 0.000 1.005 285 L CA -1.428 53.428 54.840 0.028 0.000 0.828 285 L CB 1.302 43.353 42.059 -0.014 0.000 1.227 285 L HN 0.324 nan 8.230 nan 0.000 0.415 286 P HA 0.039 nan 4.420 nan 0.000 0.273 286 P C -0.523 176.771 177.300 -0.009 0.000 1.250 286 P CA -0.724 62.370 63.100 -0.009 0.000 0.793 286 P CB 0.803 32.519 31.700 0.027 0.000 1.011 287 K N 1.547 121.939 120.400 -0.013 0.000 2.530 287 K HA -0.058 4.675 4.320 0.690 0.000 0.280 287 K C -1.401 175.197 176.600 -0.004 0.000 1.004 287 K CA -0.604 55.677 56.287 -0.010 0.000 1.071 287 K CB -0.400 32.095 32.500 -0.008 0.000 0.876 287 K HN 0.211 nan 8.250 nan 0.000 0.487 288 P HA -0.228 nan 4.420 nan 0.000 0.223 288 P C -0.567 176.726 177.300 -0.012 0.000 1.153 288 P CA 1.624 64.717 63.100 -0.012 0.000 0.853 288 P CB 0.145 31.835 31.700 -0.017 0.000 0.777 289 E N -1.547 118.647 120.200 -0.009 0.000 3.832 289 E HA 0.155 4.919 4.350 0.690 0.000 0.250 289 E C -0.594 176.004 176.600 -0.002 0.000 1.215 289 E CA -0.351 56.043 56.400 -0.010 0.000 1.179 289 E CB 0.085 29.774 29.700 -0.018 0.000 1.270 289 E HN -0.147 nan 8.360 nan 0.000 0.405 290 K N 0.236 120.639 120.400 0.006 0.000 2.482 290 K HA 0.372 5.106 4.320 0.690 0.000 0.257 290 K C -0.609 176.003 176.600 0.021 0.000 0.969 290 K CA -0.715 55.579 56.287 0.011 0.000 0.842 290 K CB 2.036 34.542 32.500 0.011 0.000 1.359 290 K HN 0.340 nan 8.250 nan 0.000 0.441 291 S N 1.152 116.867 115.700 0.024 0.000 2.537 291 S HA 0.144 5.028 4.470 0.690 0.000 0.275 291 S C 1.019 175.647 174.600 0.047 0.000 1.272 291 S CA -0.564 57.656 58.200 0.033 0.000 1.050 291 S CB 0.907 64.123 63.200 0.026 0.000 0.961 291 S HN 0.558 nan 8.310 nan 0.000 0.496 292 L N 3.453 124.711 121.223 0.060 0.000 2.291 292 L HA 0.175 4.929 4.340 0.690 0.000 0.214 292 L C 2.473 179.398 176.870 0.091 0.000 1.120 292 L CA 1.773 56.663 54.840 0.083 0.000 0.799 292 L CB -1.418 40.699 42.059 0.096 0.000 0.925 292 L HN 0.974 nan 8.230 nan 0.000 0.446 293 A N -0.498 122.362 122.820 0.067 0.000 1.958 293 A HA -0.331 4.402 4.320 0.690 0.000 0.221 293 A C 2.457 180.079 177.584 0.062 0.000 1.178 293 A CA 2.226 54.297 52.037 0.057 0.000 0.642 293 A CB -0.578 18.439 19.000 0.029 0.000 0.816 293 A HN 0.495 nan 8.150 nan 0.000 0.453 294 K N -0.578 119.859 120.400 0.063 0.000 2.025 294 K HA -0.076 4.658 4.320 0.690 0.000 0.207 294 K C 1.879 178.540 176.600 0.101 0.000 1.049 294 K CA 1.492 57.819 56.287 0.066 0.000 0.933 294 K CB -0.275 32.260 32.500 0.059 0.000 0.714 294 K HN 0.263 nan 8.250 nan 0.000 0.438 295 V N 1.814 121.810 119.914 0.135 0.000 2.233 295 V HA -0.279 4.255 4.120 0.690 0.000 0.247 295 V C 2.009 178.224 176.094 0.201 0.000 1.050 295 V CA 2.124 64.555 62.300 0.218 0.000 1.010 295 V CB -0.548 31.417 31.823 0.237 0.000 0.637 295 V HN 0.414 nan 8.190 nan 0.000 0.444 296 E N -0.250 120.056 120.200 0.176 0.000 2.070 296 E HA -0.265 4.499 4.350 0.690 0.000 0.197 296 E C 2.346 179.022 176.600 0.125 0.000 1.004 296 E CA 1.181 57.690 56.400 0.182 0.000 0.805 296 E CB -0.230 29.604 29.700 0.223 0.000 0.744 296 E HN 0.316 nan 8.360 nan 0.000 0.451 297 K N 1.027 121.477 120.400 0.082 0.000 2.097 297 K HA -0.169 4.565 4.320 0.690 0.000 0.206 297 K C 1.568 178.185 176.600 0.029 0.000 1.049 297 K CA 1.407 57.717 56.287 0.038 0.000 0.933 297 K CB -0.061 32.451 32.500 0.019 0.000 0.717 297 K HN 0.229 nan 8.250 nan 0.000 0.442 298 E N 0.446 120.671 120.200 0.043 0.000 2.368 298 E HA 0.018 4.781 4.350 0.690 0.000 0.188 298 E C -0.080 176.500 176.600 -0.033 0.000 1.061 298 E CA -0.160 56.246 56.400 0.010 0.000 0.933 298 E CB -0.316 29.400 29.700 0.027 0.000 1.091 298 E HN -0.085 nan 8.360 nan 0.000 0.458 299 L N 2.480 123.701 121.223 -0.004 0.000 2.407 299 L HA 0.278 5.032 4.340 0.690 0.000 0.282 299 L C -0.404 176.423 176.870 -0.071 0.000 1.110 299 L CA 0.499 55.316 54.840 -0.038 0.000 0.863 299 L CB 0.275 42.364 42.059 0.051 0.000 1.207 299 L HN 0.341 nan 8.230 nan 0.000 0.454 300 T N 1.823 116.286 114.554 -0.151 0.000 2.909 300 T HA 0.536 5.300 4.350 0.690 0.000 0.299 300 T C -2.197 172.399 174.700 -0.173 0.000 1.073 300 T CA -1.776 60.246 62.100 -0.131 0.000 0.999 300 T CB 1.888 70.680 68.868 -0.125 0.000 1.098 300 T HN 0.247 nan 8.240 nan 0.000 0.477 301 P HA -0.035 nan 4.420 nan 0.000 0.219 301 P C 1.051 178.257 177.300 -0.156 0.000 1.146 301 P CA 0.953 63.976 63.100 -0.129 0.000 0.808 301 P CB 0.163 31.807 31.700 -0.094 0.000 0.779 302 E N -0.802 119.309 120.200 -0.150 0.000 2.051 302 E HA -0.118 4.646 4.350 0.690 0.000 0.192 302 E C 2.017 178.480 176.600 -0.228 0.000 0.991 302 E CA 1.020 57.333 56.400 -0.144 0.000 0.799 302 E CB -1.251 28.383 29.700 -0.111 0.000 0.748 302 E HN 0.008 nan 8.360 nan 0.000 0.449 303 V N 0.752 120.466 119.914 -0.333 0.000 2.358 303 V HA -0.225 4.309 4.120 0.690 0.000 0.246 303 V C 2.293 177.884 176.094 -0.838 0.000 1.047 303 V CA 1.382 63.333 62.300 -0.582 0.000 1.035 303 V CB -0.455 30.964 31.823 -0.673 0.000 0.658 303 V HN 0.235 nan 8.190 nan 0.000 0.452 304 L N -0.436 120.388 121.223 -0.665 0.000 2.042 304 L HA -0.266 4.488 4.340 0.690 0.000 0.210 304 L C 2.679 179.392 176.870 -0.261 0.000 1.076 304 L CA 1.725 56.258 54.840 -0.512 0.000 0.749 304 L CB -0.351 41.487 42.059 -0.368 0.000 0.893 304 L HN 0.357 nan 8.230 nan 0.000 0.432 305 Q N -0.046 119.630 119.800 -0.206 0.000 2.079 305 Q HA -0.243 4.511 4.340 0.690 0.000 0.200 305 Q C 1.987 177.952 176.000 -0.059 0.000 0.974 305 Q CA 1.775 57.522 55.803 -0.092 0.000 0.840 305 Q CB -0.080 28.621 28.738 -0.061 0.000 0.898 305 Q HN 0.441 nan 8.270 nan 0.000 0.430 306 E N -1.184 118.945 120.200 -0.119 0.000 2.038 306 E HA -0.209 4.555 4.350 0.690 0.000 0.195 306 E C 1.390 178.042 176.600 0.086 0.000 1.000 306 E CA 1.394 57.766 56.400 -0.048 0.000 0.803 306 E CB -0.216 29.420 29.700 -0.107 0.000 0.750 306 E HN 0.433 nan 8.360 nan 0.000 0.448 307 W N 0.886 122.150 121.300 -0.059 0.000 2.315 307 W HA -0.194 4.534 4.660 0.113 0.000 0.323 307 W C 2.355 178.833 176.519 -0.067 0.000 1.233 307 W CA 0.801 58.102 57.345 -0.073 0.000 1.267 307 W CB -1.250 28.152 29.460 -0.095 0.000 1.160 307 W HN 0.203 nan 8.180 nan 0.000 0.474 308 L N -0.180 121.156 121.223 0.188 0.000 2.131 308 L HA -0.219 4.534 4.340 0.690 0.000 0.210 308 L C 1.914 178.826 176.870 0.071 0.000 1.092 308 L CA 1.439 56.337 54.840 0.096 0.000 0.759 308 L CB -0.872 41.223 42.059 0.060 0.000 0.903 308 L HN -0.130 nan 8.230 nan 0.000 0.435 309 D N -0.156 120.282 120.400 0.065 0.000 2.224 309 D HA -0.133 4.920 4.640 0.690 0.000 0.205 309 D C 2.027 178.356 176.300 0.048 0.000 0.965 309 D CA 0.894 54.922 54.000 0.048 0.000 0.852 309 D CB 0.051 40.873 40.800 0.036 0.000 0.947 309 D HN 0.400 nan 8.370 nan 0.000 0.494 310 E N -0.142 120.095 120.200 0.061 0.000 2.318 310 E HA 0.065 4.829 4.350 0.690 0.000 0.193 310 E C 0.444 177.058 176.600 0.024 0.000 0.998 310 E CA -0.148 56.279 56.400 0.045 0.000 0.859 310 E CB 0.344 30.079 29.700 0.059 0.000 0.812 310 E HN 0.247 nan 8.360 nan 0.000 0.492 311 L N 2.058 123.296 121.223 0.025 0.000 2.559 311 L HA -0.002 4.752 4.340 0.690 0.000 0.282 311 L C 0.134 177.025 176.870 0.035 0.000 1.232 311 L CA 0.604 55.453 54.840 0.015 0.000 0.885 311 L CB -0.004 42.075 42.059 0.033 0.000 1.131 311 L HN 0.018 nan 8.230 nan 0.000 0.498 312 E N 2.110 122.339 120.200 0.049 0.000 2.246 312 E HA 0.134 4.898 4.350 0.690 0.000 0.266 312 E C -0.852 175.794 176.600 0.078 0.000 0.880 312 E CA -0.685 55.748 56.400 0.056 0.000 0.762 312 E CB 1.135 30.865 29.700 0.050 0.000 1.180 312 E HN 0.386 nan 8.360 nan 0.000 0.416 313 E N 5.143 125.377 120.200 0.057 0.000 2.606 313 E HA -0.052 4.711 4.350 0.690 0.000 0.248 313 E C -0.398 176.229 176.600 0.045 0.000 1.005 313 E CA 0.451 56.879 56.400 0.047 0.000 0.946 313 E CB 0.409 30.114 29.700 0.009 0.000 0.928 313 E HN 0.539 nan 8.360 nan 0.000 0.494 314 M N 3.242 122.880 119.600 0.063 0.000 2.575 314 M HA 0.343 5.237 4.480 0.690 0.000 0.284 314 M C -1.224 175.083 176.300 0.011 0.000 1.253 314 M CA -0.937 54.387 55.300 0.040 0.000 0.861 314 M CB 2.329 34.972 32.600 0.072 0.000 1.733 314 M HN 0.361 nan 8.290 nan 0.000 0.462 315 M N 4.437 124.025 119.600 -0.022 0.000 2.146 315 M HA 0.469 5.363 4.480 0.690 0.000 0.357 315 M C -1.284 174.979 176.300 -0.063 0.000 1.261 315 M CA -0.299 54.978 55.300 -0.038 0.000 1.106 315 M CB 0.437 33.009 32.600 -0.047 0.000 1.612 315 M HN 0.654 nan 8.290 nan 0.000 0.470 316 L N 2.618 123.806 121.223 -0.059 0.000 2.765 316 L HA 0.723 5.477 4.340 0.690 0.000 0.263 316 L C -1.091 175.680 176.870 -0.164 0.000 1.068 316 L CA -1.029 53.727 54.840 -0.141 0.000 0.903 316 L CB 0.846 42.745 42.059 -0.265 0.000 1.512 316 L HN 0.230 nan 8.230 nan 0.000 0.404 317 V N 1.286 121.075 119.914 -0.209 0.000 2.370 317 V HA 0.637 5.171 4.120 0.690 0.000 0.279 317 V C -0.223 175.662 176.094 -0.349 0.000 1.029 317 V CA -0.539 61.589 62.300 -0.288 0.000 0.870 317 V CB 1.413 33.163 31.823 -0.123 0.000 0.984 317 V HN 0.556 nan 8.190 nan 0.000 0.451 318 V N 5.143 124.753 119.914 -0.506 0.000 2.427 318 V HA 0.447 4.981 4.120 0.690 0.000 0.286 318 V C -0.552 175.333 176.094 -0.348 0.000 1.034 318 V CA -0.525 61.520 62.300 -0.425 0.000 0.893 318 V CB 1.427 32.906 31.823 -0.573 0.000 0.982 318 V HN 0.905 nan 8.190 nan 0.000 0.452 319 H N 4.592 123.608 119.070 -0.090 0.000 2.609 319 H HA 0.752 5.720 4.556 0.687 0.000 0.344 319 H C -0.389 174.897 175.328 -0.071 0.000 1.040 319 H CA -0.376 55.670 56.048 -0.002 0.000 1.216 319 H CB 1.731 31.500 29.762 0.013 0.000 1.529 319 H HN 0.654 nan 8.280 nan 0.000 0.519 320 M N 5.444 125.088 119.600 0.072 0.000 2.365 320 M HA 0.381 5.275 4.480 0.690 0.000 0.288 320 M C -3.126 173.188 176.300 0.024 0.000 1.152 320 M CA -1.845 53.434 55.300 -0.034 0.000 0.948 320 M CB 2.708 35.239 32.600 -0.114 0.000 1.729 320 M HN 0.308 nan 8.290 nan 0.000 0.487 321 P HA 0.165 nan 4.420 nan 0.000 0.279 321 P C -1.596 175.877 177.300 0.289 0.000 1.239 321 P CA -0.208 63.002 63.100 0.184 0.000 0.789 321 P CB 0.742 32.539 31.700 0.161 0.000 0.933 322 R N 4.229 124.816 120.500 0.146 0.000 2.248 322 R HA 0.352 5.106 4.340 0.690 0.000 0.337 322 R C -0.574 175.807 176.300 0.134 0.000 1.085 322 R CA -0.223 55.912 56.100 0.060 0.000 0.934 322 R CB -0.555 29.758 30.300 0.020 0.000 1.034 322 R HN 0.483 nan 8.270 nan 0.000 0.465 323 F N 1.090 121.010 119.950 -0.050 0.000 2.790 323 F HA 0.653 5.594 4.527 0.689 0.000 0.337 323 F C -1.420 174.295 175.800 -0.141 0.000 1.163 323 F CA -1.525 56.423 58.000 -0.087 0.000 0.997 323 F CB 1.242 40.183 39.000 -0.099 0.000 1.437 323 F HN 0.330 nan 8.300 nan 0.000 0.512 324 R N 1.895 122.418 120.500 0.038 0.000 2.515 324 R HA 0.691 5.444 4.340 0.690 0.000 0.278 324 R C -2.069 174.202 176.300 -0.050 0.000 1.107 324 R CA -0.621 55.351 56.100 -0.213 0.000 0.945 324 R CB 2.170 32.351 30.300 -0.199 0.000 1.219 324 R HN 1.002 nan 8.270 nan 0.000 0.434 325 I N -0.667 119.779 120.570 -0.208 0.000 2.934 325 I HA 0.670 5.254 4.170 0.690 0.000 0.306 325 I C -1.271 174.744 176.117 -0.170 0.000 1.110 325 I CA -0.886 60.355 61.300 -0.097 0.000 1.019 325 I CB 2.797 40.776 38.000 -0.035 0.000 1.227 325 I HN 0.614 nan 8.210 nan 0.000 0.434 326 E N 1.814 122.041 120.200 0.045 0.000 2.343 326 E HA 0.484 5.248 4.350 0.690 0.000 0.278 326 E C -1.913 174.830 176.600 0.238 0.000 0.910 326 E CA -0.732 55.773 56.400 0.175 0.000 0.757 326 E CB 2.603 32.429 29.700 0.210 0.000 1.218 326 E HN 0.628 nan 8.360 nan 0.000 0.435 327 D N 0.885 121.491 120.400 0.343 0.000 2.970 327 D HA 0.501 5.555 4.640 0.690 0.000 0.230 327 D C -1.310 175.261 176.300 0.452 0.000 1.276 327 D CA -0.335 53.897 54.000 0.387 0.000 0.910 327 D CB 1.896 42.969 40.800 0.455 0.000 1.590 327 D HN 0.540 nan 8.370 nan 0.000 0.551 328 G N 1.562 110.612 108.800 0.417 0.000 2.591 328 G HA2 0.771 5.145 3.960 0.690 0.000 0.306 328 G HA3 0.771 5.145 3.960 0.690 0.000 0.306 328 G C -1.226 173.953 174.900 0.465 0.000 1.334 328 G CA -0.800 44.482 45.100 0.304 0.000 0.981 328 G HN 0.390 nan 8.290 nan 0.000 0.491 329 F N -0.656 119.450 119.950 0.259 0.000 2.807 329 F HA 0.788 5.730 4.527 0.693 0.000 0.316 329 F C -0.439 175.566 175.800 0.341 0.000 1.162 329 F CA -1.521 56.630 58.000 0.252 0.000 0.910 329 F CB 1.174 40.291 39.000 0.195 0.000 1.314 329 F HN 0.598 nan 8.300 nan 0.000 0.454 330 S N 0.353 116.310 115.700 0.428 0.000 2.610 330 S HA 0.611 5.494 4.470 0.690 0.000 0.273 330 S C 0.234 175.016 174.600 0.303 0.000 1.274 330 S CA -0.711 57.639 58.200 0.249 0.000 1.023 330 S CB 0.874 64.171 63.200 0.161 0.000 0.962 330 S HN 0.738 nan 8.310 nan 0.000 0.523 331 L N 3.523 124.861 121.223 0.191 0.000 2.556 331 L HA 0.248 5.002 4.340 0.690 0.000 0.226 331 L C 2.391 179.353 176.870 0.154 0.000 1.089 331 L CA 0.007 55.036 54.840 0.315 0.000 0.864 331 L CB -0.375 41.883 42.059 0.332 0.000 1.067 331 L HN 0.727 nan 8.230 nan 0.000 0.477 332 K N 1.433 121.797 120.400 -0.061 0.000 2.015 332 K HA -0.313 4.421 4.320 0.690 0.000 0.216 332 K C 1.987 178.389 176.600 -0.330 0.000 1.052 332 K CA 2.362 58.364 56.287 -0.474 0.000 0.937 332 K CB -0.053 32.115 32.500 -0.553 0.000 0.719 332 K HN 0.275 nan 8.250 nan 0.000 0.446 333 E N -0.121 119.991 120.200 -0.147 0.000 2.049 333 E HA -0.293 4.471 4.350 0.690 0.000 0.198 333 E C 2.151 178.728 176.600 -0.039 0.000 1.007 333 E CA 1.782 58.130 56.400 -0.087 0.000 0.809 333 E CB 0.021 29.699 29.700 -0.038 0.000 0.749 333 E HN 0.291 nan 8.360 nan 0.000 0.450 334 Q N 0.518 120.329 119.800 0.018 0.000 2.002 334 Q HA -0.127 4.627 4.340 0.690 0.000 0.204 334 Q C 2.341 178.363 176.000 0.036 0.000 0.988 334 Q CA 1.538 57.361 55.803 0.033 0.000 0.843 334 Q CB -0.380 28.391 28.738 0.054 0.000 0.908 334 Q HN 0.360 nan 8.270 nan 0.000 0.420 335 L N 0.206 121.491 121.223 0.104 0.000 2.042 335 L HA -0.291 4.462 4.340 0.690 0.000 0.210 335 L C 2.454 179.353 176.870 0.049 0.000 1.076 335 L CA 1.477 56.357 54.840 0.067 0.000 0.749 335 L CB -0.543 41.604 42.059 0.147 0.000 0.893 335 L HN 0.352 nan 8.230 nan 0.000 0.432 336 Q N -0.151 119.666 119.800 0.028 0.000 2.050 336 Q HA -0.205 4.548 4.340 0.690 0.000 0.202 336 Q C 1.582 177.598 176.000 0.026 0.000 0.980 336 Q CA 1.554 57.383 55.803 0.042 0.000 0.840 336 Q CB -0.154 28.566 28.738 -0.031 0.000 0.898 336 Q HN 0.475 nan 8.270 nan 0.000 0.424 337 D N -0.240 120.168 120.400 0.014 0.000 2.392 337 D HA -0.084 4.970 4.640 0.690 0.000 0.228 337 D C 1.155 177.476 176.300 0.035 0.000 1.003 337 D CA 0.879 54.912 54.000 0.055 0.000 0.917 337 D CB 0.093 40.958 40.800 0.108 0.000 0.890 337 D HN 0.251 nan 8.370 nan 0.000 0.532 338 M N -1.366 118.177 119.600 -0.095 0.000 2.333 338 M HA 0.199 5.093 4.480 0.690 0.000 0.257 338 M C 0.935 177.178 176.300 -0.096 0.000 1.078 338 M CA 0.265 55.424 55.300 -0.236 0.000 1.005 338 M CB 1.027 33.386 32.600 -0.401 0.000 1.444 338 M HN 0.134 nan 8.290 nan 0.000 0.496 339 G N 0.650 109.440 108.800 -0.017 0.000 2.545 339 G HA2 -0.147 4.227 3.960 0.690 0.000 0.195 339 G HA3 -0.147 4.227 3.960 0.690 0.000 0.195 339 G C -0.074 174.862 174.900 0.061 0.000 1.009 339 G CA -0.610 44.501 45.100 0.018 0.000 0.703 339 G HN 0.266 nan 8.290 nan 0.000 0.479 340 L N 2.757 124.031 121.223 0.085 0.000 2.454 340 L HA 0.394 5.148 4.340 0.690 0.000 0.284 340 L C 1.522 178.552 176.870 0.267 0.000 1.139 340 L CA -0.255 54.691 54.840 0.176 0.000 0.911 340 L CB 0.963 43.166 42.059 0.239 0.000 1.262 340 L HN 0.128 nan 8.230 nan 0.000 0.453 341 V N 2.452 122.487 119.914 0.201 0.000 2.735 341 V HA -0.053 4.481 4.120 0.690 0.000 0.234 341 V C 1.560 177.786 176.094 0.220 0.000 1.121 341 V CA 0.528 62.955 62.300 0.211 0.000 1.160 341 V CB -0.175 31.723 31.823 0.125 0.000 0.908 341 V HN 0.602 nan 8.190 nan 0.000 0.495 342 D N 0.771 121.253 120.400 0.136 0.000 2.133 342 D HA -0.223 4.831 4.640 0.690 0.000 0.192 342 D C 1.902 178.249 176.300 0.079 0.000 1.001 342 D CA 1.470 55.531 54.000 0.100 0.000 0.844 342 D CB -0.438 40.406 40.800 0.072 0.000 0.944 342 D HN 0.253 nan 8.370 nan 0.000 0.447 343 L N -0.535 120.687 121.223 -0.001 0.000 2.137 343 L HA -0.181 4.573 4.340 0.690 0.000 0.213 343 L C 1.372 178.109 176.870 -0.222 0.000 1.085 343 L CA 1.604 56.334 54.840 -0.183 0.000 0.760 343 L CB -0.332 41.494 42.059 -0.388 0.000 0.893 343 L HN 0.011 nan 8.230 nan 0.000 0.434 344 F N -2.176 117.869 119.950 0.158 0.000 2.695 344 F HA 0.292 5.232 4.527 0.689 0.000 0.303 344 F C 1.326 177.234 175.800 0.180 0.000 1.091 344 F CA 0.012 58.131 58.000 0.198 0.000 1.300 344 F CB -0.261 38.823 39.000 0.140 0.000 1.071 344 F HN -0.055 nan 8.300 nan 0.000 0.578 345 S N 1.627 117.472 115.700 0.242 0.000 2.422 345 S HA 0.267 5.151 4.470 0.690 0.000 0.298 345 S C -1.815 172.775 174.600 -0.017 0.000 1.118 345 S CA -1.539 56.711 58.200 0.083 0.000 1.083 345 S CB 0.930 64.175 63.200 0.075 0.000 0.971 345 S HN -0.131 nan 8.310 nan 0.000 0.478 346 P HA 0.032 nan 4.420 nan 0.000 0.231 346 P C 0.316 177.537 177.300 -0.131 0.000 1.158 346 P CA 0.746 63.604 63.100 -0.404 0.000 0.763 346 P CB 0.261 31.523 31.700 -0.731 0.000 0.805 347 E N -1.203 118.951 120.200 -0.077 0.000 2.330 347 E HA 0.087 4.851 4.350 0.690 0.000 0.200 347 E C 1.363 177.963 176.600 -0.000 0.000 0.922 347 E CA 0.701 57.081 56.400 -0.032 0.000 0.935 347 E CB -0.017 29.665 29.700 -0.031 0.000 0.917 347 E HN 0.156 nan 8.360 nan 0.000 0.491 348 K N -0.064 120.345 120.400 0.015 0.000 2.374 348 K HA 0.272 5.005 4.320 0.690 0.000 0.202 348 K C 0.501 177.127 176.600 0.044 0.000 1.040 348 K CA -0.066 56.240 56.287 0.031 0.000 1.085 348 K CB 1.094 33.616 32.500 0.038 0.000 0.873 348 K HN -0.108 nan 8.250 nan 0.000 0.539 349 S N 1.513 117.247 115.700 0.057 0.000 2.579 349 S HA 0.123 5.007 4.470 0.690 0.000 0.275 349 S C -0.349 174.277 174.600 0.044 0.000 1.345 349 S CA 0.040 58.278 58.200 0.063 0.000 1.031 349 S CB 0.375 63.643 63.200 0.114 0.000 0.892 349 S HN -0.015 nan 8.310 nan 0.000 0.529 350 K N 4.370 124.787 120.400 0.029 0.000 2.656 350 K HA 0.359 5.093 4.320 0.690 0.000 0.241 350 K C -1.306 175.292 176.600 -0.002 0.000 0.967 350 K CA -0.092 56.205 56.287 0.017 0.000 0.946 350 K CB 1.067 33.581 32.500 0.023 0.000 1.164 350 K HN 0.594 nan 8.250 nan 0.000 0.459 351 L N 4.590 125.800 121.223 -0.021 0.000 2.678 351 L HA 0.233 4.987 4.340 0.690 0.000 0.250 351 L C -1.336 175.488 176.870 -0.076 0.000 1.455 351 L CA -1.182 53.624 54.840 -0.057 0.000 0.823 351 L CB 1.409 43.419 42.059 -0.081 0.000 1.107 351 L HN 0.202 nan 8.230 nan 0.000 0.514 352 P HA -0.083 nan 4.420 nan 0.000 0.223 352 P C 1.116 178.367 177.300 -0.083 0.000 1.151 352 P CA 0.809 63.875 63.100 -0.057 0.000 0.787 352 P CB 0.385 32.069 31.700 -0.028 0.000 0.788 353 G N -0.320 108.418 108.800 -0.104 0.000 3.440 353 G HA2 0.145 4.519 3.960 0.690 0.000 0.263 353 G HA3 0.145 4.519 3.960 0.690 0.000 0.263 353 G C 1.045 175.748 174.900 -0.329 0.000 1.236 353 G CA -0.155 44.870 45.100 -0.126 0.000 0.927 353 G HN 0.119 nan 8.290 nan 0.000 0.530 354 I N 0.221 120.575 120.570 -0.360 0.000 3.098 354 I HA 0.110 4.693 4.170 0.690 0.000 0.241 354 I C 1.172 177.182 176.117 -0.178 0.000 1.081 354 I CA 0.638 61.618 61.300 -0.534 0.000 1.487 354 I CB -0.605 37.176 38.000 -0.365 0.000 1.366 354 I HN 0.040 nan 8.210 nan 0.000 0.463 355 V N -0.194 119.596 119.914 -0.207 0.000 2.481 355 V HA 0.698 5.232 4.120 0.690 0.000 0.286 355 V C 1.237 177.232 176.094 -0.165 0.000 1.042 355 V CA -0.412 61.707 62.300 -0.302 0.000 0.928 355 V CB 1.103 32.642 31.823 -0.473 0.000 0.986 355 V HN 0.309 nan 8.190 nan 0.000 0.462 356 A N 2.469 125.219 122.820 -0.117 0.000 1.978 356 A HA -0.111 4.623 4.320 0.690 0.000 0.220 356 A C 1.677 179.216 177.584 -0.074 0.000 1.170 356 A CA 1.643 53.644 52.037 -0.061 0.000 0.636 356 A CB -0.741 18.242 19.000 -0.027 0.000 0.810 356 A HN 0.981 nan 8.150 nan 0.000 0.448 357 E N -0.679 119.455 120.200 -0.109 0.000 2.527 357 E HA 0.135 4.899 4.350 0.690 0.000 0.204 357 E C 1.155 177.711 176.600 -0.073 0.000 1.132 357 E CA 0.206 56.552 56.400 -0.090 0.000 0.905 357 E CB -0.586 29.047 29.700 -0.113 0.000 0.875 357 E HN 0.753 nan 8.360 nan 0.000 0.548 358 G N 2.178 110.936 108.800 -0.070 0.000 2.187 358 G HA2 -0.390 3.984 3.960 0.690 0.000 0.261 358 G HA3 -0.390 3.984 3.960 0.690 0.000 0.261 358 G C 0.145 175.012 174.900 -0.055 0.000 1.000 358 G CA 0.083 45.150 45.100 -0.054 0.000 0.718 358 G HN 0.282 nan 8.290 nan 0.000 0.519 359 R N 0.827 121.281 120.500 -0.076 0.000 2.459 359 R HA 0.167 4.921 4.340 0.690 0.000 0.301 359 R C -0.447 175.821 176.300 -0.053 0.000 1.286 359 R CA 0.047 56.108 56.100 -0.065 0.000 1.046 359 R CB 0.147 30.395 30.300 -0.087 0.000 1.071 359 R HN 0.162 nan 8.270 nan 0.000 0.512 360 D N 1.972 122.353 120.400 -0.031 0.000 3.071 360 D HA -0.017 5.037 4.640 0.690 0.000 0.259 360 D C 0.517 176.819 176.300 0.003 0.000 1.331 360 D CA 0.249 54.237 54.000 -0.019 0.000 0.861 360 D CB 0.345 41.135 40.800 -0.016 0.000 1.059 360 D HN 0.581 nan 8.370 nan 0.000 0.486 361 D N -0.706 119.702 120.400 0.014 0.000 2.469 361 D HA -0.017 5.037 4.640 0.690 0.000 0.213 361 D C 0.587 176.952 176.300 0.109 0.000 1.135 361 D CA -0.256 53.773 54.000 0.049 0.000 0.834 361 D CB 0.742 41.567 40.800 0.041 0.000 1.009 361 D HN 0.143 nan 8.370 nan 0.000 0.507 362 L N 1.626 122.887 121.223 0.063 0.000 2.456 362 L HA 0.201 4.955 4.340 0.690 0.000 0.272 362 L C -0.337 176.603 176.870 0.116 0.000 1.189 362 L CA -0.173 54.697 54.840 0.051 0.000 0.846 362 L CB 0.131 42.165 42.059 -0.043 0.000 1.111 362 L HN 0.149 nan 8.230 nan 0.000 0.475 363 Y N 0.116 120.399 120.300 -0.028 0.000 2.571 363 Y HA 0.591 5.555 4.550 0.689 0.000 0.341 363 Y C -1.006 174.873 175.900 -0.034 0.000 1.076 363 Y CA -1.488 56.594 58.100 -0.029 0.000 1.029 363 Y CB 0.935 39.400 38.460 0.007 0.000 1.308 363 Y HN 0.094 nan 8.280 nan 0.000 0.461 364 V N 3.328 123.133 119.914 -0.182 0.000 2.408 364 V HA 0.124 4.658 4.120 0.690 0.000 0.267 364 V C 1.127 177.216 176.094 -0.009 0.000 1.047 364 V CA 0.695 62.857 62.300 -0.229 0.000 0.937 364 V CB 0.609 32.278 31.823 -0.257 0.000 0.999 364 V HN 1.075 nan 8.190 nan 0.000 0.472 365 S N 3.452 119.030 115.700 -0.203 0.000 2.348 365 S HA -0.084 4.800 4.470 0.690 0.000 0.221 365 S C 0.608 175.333 174.600 0.208 0.000 1.033 365 S CA 1.688 59.944 58.200 0.095 0.000 1.010 365 S CB 0.040 63.218 63.200 -0.036 0.000 0.891 365 S HN 0.922 nan 8.310 nan 0.000 0.442 366 D N -1.800 118.646 120.400 0.077 0.000 2.648 366 D HA 0.643 5.697 4.640 0.690 0.000 0.244 366 D C -1.634 174.507 176.300 -0.264 0.000 1.244 366 D CA 0.136 54.092 54.000 -0.074 0.000 0.772 366 D CB 1.702 42.363 40.800 -0.233 0.000 1.379 366 D HN 0.369 nan 8.370 nan 0.000 0.428 367 A N 1.055 123.643 122.820 -0.386 0.000 2.401 367 A HA 0.819 5.553 4.320 0.690 0.000 0.310 367 A C -1.523 175.703 177.584 -0.597 0.000 1.075 367 A CA -0.507 51.356 52.037 -0.289 0.000 0.746 367 A CB 0.774 19.933 19.000 0.265 0.000 1.277 367 A HN 0.299 nan 8.150 nan 0.000 0.425 368 F N -0.260 119.755 119.950 0.109 0.000 2.603 368 F HA 0.706 5.646 4.527 0.688 0.000 0.317 368 F C -0.015 175.800 175.800 0.025 0.000 1.066 368 F CA -0.321 57.705 58.000 0.042 0.000 0.941 368 F CB 2.287 41.291 39.000 0.006 0.000 1.291 368 F HN 0.784 nan 8.300 nan 0.000 0.472 369 H N 0.854 119.887 119.070 -0.060 0.000 2.996 369 H HA 0.583 5.553 4.556 0.690 0.000 0.368 369 H C -1.637 173.565 175.328 -0.210 0.000 1.185 369 H CA -0.996 54.931 56.048 -0.201 0.000 1.160 369 H CB 2.043 31.540 29.762 -0.442 0.000 1.820 369 H HN 0.635 nan 8.280 nan 0.000 0.547 370 K N 3.549 123.668 120.400 -0.468 0.000 2.565 370 K HA 0.756 5.490 4.320 0.690 0.000 0.251 370 K C -1.981 174.574 176.600 -0.075 0.000 0.956 370 K CA -0.563 55.647 56.287 -0.128 0.000 0.809 370 K CB 1.487 33.973 32.500 -0.024 0.000 1.267 370 K HN 0.627 nan 8.250 nan 0.000 0.438 371 A N 3.276 126.226 122.820 0.218 0.000 2.386 371 A HA 0.846 5.580 4.320 0.690 0.000 0.308 371 A C -1.810 176.127 177.584 0.589 0.000 1.128 371 A CA -0.677 51.624 52.037 0.440 0.000 0.789 371 A CB 0.932 20.255 19.000 0.538 0.000 1.325 371 A HN 0.651 nan 8.150 nan 0.000 0.437 372 F N 0.738 120.953 119.950 0.442 0.000 2.569 372 F HA 0.699 5.642 4.527 0.693 0.000 0.312 372 F C -1.603 174.239 175.800 0.071 0.000 1.109 372 F CA -0.913 57.218 58.000 0.218 0.000 0.919 372 F CB 1.924 40.999 39.000 0.125 0.000 1.211 372 F HN 0.582 nan 8.300 nan 0.000 0.446 373 L N 5.033 125.751 121.223 -0.841 0.000 2.431 373 L HA 0.645 5.399 4.340 0.690 0.000 0.266 373 L C -1.691 174.582 176.870 -0.995 0.000 0.978 373 L CA -0.276 54.033 54.840 -0.885 0.000 0.822 373 L CB 2.100 43.356 42.059 -1.339 0.000 1.310 373 L HN 0.764 nan 8.230 nan 0.000 0.409 374 E N 3.223 122.993 120.200 -0.716 0.000 2.304 374 E HA 0.672 5.435 4.350 0.690 0.000 0.277 374 E C -1.964 174.315 176.600 -0.536 0.000 0.898 374 E CA -0.749 55.271 56.400 -0.634 0.000 0.764 374 E CB 2.173 31.675 29.700 -0.330 0.000 1.216 374 E HN 0.639 nan 8.360 nan 0.000 0.419 375 V N 2.214 121.731 119.914 -0.662 0.000 2.789 375 V HA 0.821 5.355 4.120 0.690 0.000 0.311 375 V C -1.117 174.847 176.094 -0.218 0.000 1.073 375 V CA -0.402 61.663 62.300 -0.392 0.000 0.921 375 V CB 1.632 33.258 31.823 -0.328 0.000 1.009 375 V HN 0.894 nan 8.190 nan 0.000 0.426 376 N N 1.887 120.552 118.700 -0.059 0.000 3.418 376 N HA 0.446 5.600 4.740 0.690 0.000 0.316 376 N C 0.196 175.796 175.510 0.149 0.000 1.601 376 N CA -0.348 52.704 53.050 0.003 0.000 0.805 376 N CB 0.764 39.248 38.487 -0.006 0.000 1.873 376 N HN 0.460 nan 8.380 nan 0.000 0.615 377 E N -0.506 119.788 120.200 0.158 0.000 2.268 377 E HA -0.038 4.726 4.350 0.690 0.000 0.195 377 E C 0.590 177.481 176.600 0.485 0.000 0.995 377 E CA 1.187 57.786 56.400 0.331 0.000 0.836 377 E CB -0.047 29.814 29.700 0.268 0.000 0.763 377 E HN 0.578 nan 8.360 nan 0.000 0.491 378 E N -0.596 119.772 120.200 0.280 0.000 2.060 378 E HA 0.216 4.980 4.350 0.690 0.000 0.189 378 E C 1.052 177.685 176.600 0.056 0.000 0.974 378 E CA 1.046 57.565 56.400 0.199 0.000 0.808 378 E CB 0.122 29.868 29.700 0.075 0.000 0.768 378 E HN 0.220 nan 8.360 nan 0.000 0.453 379 G N -1.448 107.185 108.800 -0.277 0.000 2.512 379 G HA2 0.440 4.814 3.960 0.690 0.000 0.186 379 G HA3 0.440 4.814 3.960 0.690 0.000 0.186 379 G C -1.168 173.307 174.900 -0.709 0.000 1.189 379 G CA -0.340 44.222 45.100 -0.897 0.000 0.994 379 G HN -0.006 nan 8.290 nan 0.000 0.506 380 S N -0.212 115.232 115.700 -0.427 0.000 2.548 380 S HA 0.642 5.525 4.470 0.690 0.000 0.276 380 S C -1.060 173.371 174.600 -0.282 0.000 1.129 380 S CA -0.587 57.465 58.200 -0.245 0.000 0.931 380 S CB 2.383 65.586 63.200 0.005 0.000 1.068 380 S HN 0.713 nan 8.310 nan 0.000 0.480 381 E N 1.127 121.189 120.200 -0.230 0.000 2.227 381 E HA 0.794 5.558 4.350 0.690 0.000 0.268 381 E C -1.226 175.301 176.600 -0.123 0.000 0.907 381 E CA -0.851 55.407 56.400 -0.237 0.000 0.786 381 E CB 1.561 31.211 29.700 -0.083 0.000 1.191 381 E HN 0.784 nan 8.360 nan 0.000 0.411 382 A N 1.810 124.533 122.820 -0.163 0.000 2.577 382 A HA 0.769 5.503 4.320 0.690 0.000 0.297 382 A C -1.682 175.876 177.584 -0.043 0.000 1.060 382 A CA -0.066 51.844 52.037 -0.212 0.000 0.697 382 A CB 1.567 20.041 19.000 -0.876 0.000 1.281 382 A HN 0.661 nan 8.150 nan 0.000 0.402 383 A N 0.222 123.220 122.820 0.296 0.000 2.556 383 A HA 1.099 5.833 4.320 0.690 0.000 0.294 383 A C -0.378 177.563 177.584 0.596 0.000 1.091 383 A CA -0.073 52.267 52.037 0.505 0.000 0.704 383 A CB 1.502 20.736 19.000 0.390 0.000 1.300 383 A HN 2.742 nan 8.150 nan 0.000 0.406 384 A N -0.161 122.934 122.820 0.457 0.000 2.608 384 A HA 0.901 5.635 4.320 0.690 0.000 0.292 384 A C -0.621 177.013 177.584 0.082 0.000 1.066 384 A CA 0.180 52.373 52.037 0.261 0.000 0.676 384 A CB 1.199 20.393 19.000 0.323 0.000 1.277 384 A HN 2.066 nan 8.150 nan 0.000 0.413 385 S N -0.869 114.774 115.700 -0.095 0.000 2.570 385 S HA 0.872 5.755 4.470 0.690 0.000 0.270 385 S C -1.324 173.240 174.600 -0.061 0.000 1.149 385 S CA -0.106 58.072 58.200 -0.036 0.000 0.837 385 S CB 1.921 65.119 63.200 -0.002 0.000 1.124 385 S HN 1.188 nan 8.310 nan 0.000 0.465 386 T N 2.271 116.872 114.554 0.078 0.000 3.031 386 T HA 0.673 5.437 4.350 0.690 0.000 0.305 386 T C -0.964 173.781 174.700 0.075 0.000 0.985 386 T CA -0.380 61.808 62.100 0.147 0.000 1.008 386 T CB 1.288 70.286 68.868 0.217 0.000 1.005 386 T HN 0.831 nan 8.240 nan 0.000 0.444 387 A N 3.110 125.992 122.820 0.104 0.000 2.273 387 A HA 0.741 5.475 4.320 0.690 0.000 0.315 387 A C -0.316 177.283 177.584 0.025 0.000 1.256 387 A CA -0.599 51.489 52.037 0.085 0.000 0.851 387 A CB 0.604 19.697 19.000 0.156 0.000 1.172 387 A HN 0.678 nan 8.150 nan 0.000 0.508 388 V N 4.347 124.199 119.914 -0.104 0.000 2.328 388 V HA 0.390 4.924 4.120 0.690 0.000 0.278 388 V C 0.193 176.204 176.094 -0.138 0.000 1.021 388 V CA -0.504 61.678 62.300 -0.198 0.000 0.838 388 V CB 1.232 32.800 31.823 -0.425 0.000 0.999 388 V HN 0.879 nan 8.190 nan 0.000 0.447 389 V N 5.133 124.981 119.914 -0.109 0.000 2.383 389 V HA 0.568 5.102 4.120 0.690 0.000 0.275 389 V C -0.150 175.827 176.094 -0.194 0.000 1.036 389 V CA -0.456 61.765 62.300 -0.132 0.000 0.889 389 V CB 1.288 33.063 31.823 -0.079 0.000 0.985 389 V HN 0.579 nan 8.190 nan 0.000 0.459 390 I N 5.258 125.700 120.570 -0.212 0.000 2.322 390 I HA 0.597 5.180 4.170 0.690 0.000 0.292 390 I C 0.851 176.769 176.117 -0.331 0.000 1.060 390 I CA 0.558 61.696 61.300 -0.269 0.000 1.309 390 I CB 0.156 38.058 38.000 -0.163 0.000 1.415 390 I HN 1.274 nan 8.210 nan 0.000 0.492 391 A N 4.591 127.048 122.820 -0.604 0.000 2.109 391 A HA 0.236 4.970 4.320 0.690 0.000 0.556 391 A C 0.446 177.891 177.584 -0.232 0.000 0.434 391 A CA 0.476 52.187 52.037 -0.543 0.000 0.334 391 A CB -1.484 17.372 19.000 -0.241 0.000 3.228 391 A HN 1.411 nan 8.150 nan 0.000 0.445 392 G N 1.147 109.892 108.800 -0.092 0.000 2.565 392 G HA2 0.628 5.002 3.960 0.690 0.000 0.142 392 G HA3 0.628 5.002 3.960 0.690 0.000 0.142 392 G C -0.659 174.293 174.900 0.087 0.000 1.181 392 G CA 0.131 45.226 45.100 -0.008 0.000 1.066 392 G HN 1.616 nan 8.290 nan 0.000 0.530 393 R N 0.967 121.519 120.500 0.085 0.000 2.246 393 R HA 0.629 5.383 4.340 0.690 0.000 0.332 393 R C -0.494 175.890 176.300 0.140 0.000 0.974 393 R CA -0.143 56.023 56.100 0.109 0.000 0.837 393 R CB 0.977 31.329 30.300 0.086 0.000 1.145 393 R HN 0.303 nan 8.270 nan 0.000 0.467 394 S N 6.154 121.939 115.700 0.142 0.000 3.919 394 S HA 0.159 5.043 4.470 0.690 0.000 0.245 394 S C -0.086 174.578 174.600 0.107 0.000 1.344 394 S CA -0.632 57.648 58.200 0.132 0.000 0.896 394 S CB -0.840 62.441 63.200 0.135 0.000 1.557 394 S HN 0.495 nan 8.310 nan 0.000 0.468 395 L N 0.822 122.125 121.223 0.134 0.000 2.431 395 L HA 0.702 5.456 4.340 0.690 0.000 0.260 395 L C -0.050 176.893 176.870 0.122 0.000 1.098 395 L CA -0.791 54.121 54.840 0.119 0.000 0.800 395 L CB 0.408 42.544 42.059 0.128 0.000 1.210 395 L HN 0.396 nan 8.230 nan 0.000 0.465 396 N N -1.438 117.321 118.700 0.099 0.000 2.564 396 N HA 0.610 5.763 4.740 0.690 0.000 0.248 396 N C -2.627 172.945 175.510 0.102 0.000 0.986 396 N CA -1.321 51.785 53.050 0.093 0.000 0.921 396 N CB 0.818 39.340 38.487 0.057 0.000 1.136 396 N HN 0.526 nan 8.380 nan 0.000 0.509 397 P HA -0.023 nan 4.420 nan 0.000 0.273 397 P C -0.280 177.076 177.300 0.094 0.000 1.252 397 P CA -0.360 62.820 63.100 0.134 0.000 0.809 397 P CB 0.381 32.208 31.700 0.211 0.000 1.017 398 N N 0.432 119.179 118.700 0.077 0.000 2.219 398 N HA -0.145 5.009 4.740 0.690 0.000 0.263 398 N C 0.519 176.062 175.510 0.053 0.000 1.269 398 N CA 0.442 53.523 53.050 0.052 0.000 0.831 398 N CB 0.294 38.804 38.487 0.038 0.000 1.059 398 N HN 0.182 nan 8.380 nan 0.000 0.475 399 R N 2.551 123.070 120.500 0.032 0.000 2.509 399 R HA 0.276 5.030 4.340 0.690 0.000 0.300 399 R C -1.143 175.163 176.300 0.009 0.000 0.985 399 R CA -0.041 56.072 56.100 0.022 0.000 1.092 399 R CB -0.158 30.153 30.300 0.019 0.000 1.237 399 R HN 0.397 nan 8.270 nan 0.000 0.546 400 V N -3.083 116.832 119.914 0.003 0.000 2.851 400 V HA 0.789 5.322 4.120 0.690 0.000 0.307 400 V C -0.889 175.184 176.094 -0.035 0.000 1.129 400 V CA -0.565 61.731 62.300 -0.007 0.000 0.932 400 V CB 2.093 33.914 31.823 -0.003 0.000 1.024 400 V HN 0.017 nan 8.190 nan 0.000 0.426 401 T N 3.991 118.524 114.554 -0.035 0.000 2.853 401 T HA 0.644 5.407 4.350 0.690 0.000 0.311 401 T C -0.690 174.023 174.700 0.021 0.000 1.307 401 T CA -0.494 61.538 62.100 -0.114 0.000 1.019 401 T CB 1.536 70.326 68.868 -0.129 0.000 1.264 401 T HN 1.256 nan 8.240 nan 0.000 0.497 402 F N 0.747 120.701 119.950 0.006 0.000 2.563 402 F HA 0.617 5.557 4.527 0.688 0.000 0.363 402 F C 0.004 175.804 175.800 0.000 0.000 1.123 402 F CA -1.431 56.571 58.000 0.003 0.000 1.307 402 F CB -0.390 38.610 39.000 -0.000 0.000 1.115 402 F HN 0.227 nan 8.300 nan 0.000 0.592 403 K N 3.277 123.821 120.400 0.240 0.000 2.478 403 K HA 0.629 5.362 4.320 0.690 0.000 0.236 403 K C 0.423 177.055 176.600 0.053 0.000 1.021 403 K CA -0.171 56.187 56.287 0.118 0.000 1.010 403 K CB 1.220 33.771 32.500 0.084 0.000 1.331 403 K HN 0.767 nan 8.250 nan 0.000 0.470 404 A N 2.547 125.353 122.820 -0.023 0.000 2.773 404 A HA 0.211 4.944 4.320 0.690 0.000 0.185 404 A C 0.389 178.066 177.584 0.156 0.000 1.559 404 A CA 0.898 52.954 52.037 0.030 0.000 0.663 404 A CB -0.147 18.778 19.000 -0.125 0.000 1.098 404 A HN 0.641 nan 8.150 nan 0.000 0.495 405 N N -3.185 115.674 118.700 0.266 0.000 3.545 405 N HA 0.170 5.324 4.740 0.690 0.000 0.227 405 N C -1.581 174.105 175.510 0.293 0.000 1.380 405 N CA -0.263 52.913 53.050 0.210 0.000 0.892 405 N CB 0.475 39.016 38.487 0.091 0.000 1.441 405 N HN 0.458 nan 8.380 nan 0.000 0.497 406 R N -0.751 119.840 120.500 0.152 0.000 3.022 406 R HA -0.129 4.625 4.340 0.690 0.000 0.248 406 R C -2.221 174.205 176.300 0.210 0.000 0.874 406 R CA 0.650 56.843 56.100 0.155 0.000 0.626 406 R CB -1.589 28.781 30.300 0.118 0.000 1.255 406 R HN 0.448 nan 8.270 nan 0.000 0.496 407 P HA 0.274 nan 4.420 nan 0.000 0.284 407 P C -0.561 176.840 177.300 0.168 0.000 1.258 407 P CA -0.463 62.688 63.100 0.085 0.000 0.824 407 P CB 0.811 32.511 31.700 -0.000 0.000 1.038 408 F N 0.183 120.131 119.950 -0.002 0.000 2.561 408 F HA 0.634 5.560 4.527 0.664 0.000 0.321 408 F C -0.877 174.942 175.800 0.033 0.000 1.065 408 F CA -1.730 56.281 58.000 0.019 0.000 0.934 408 F CB 0.659 39.667 39.000 0.013 0.000 1.215 408 F HN 0.018 nan 8.300 nan 0.000 0.471 409 L N 3.011 124.339 121.223 0.175 0.000 2.312 409 L HA 0.664 5.418 4.340 0.690 0.000 0.281 409 L C -0.301 176.659 176.870 0.149 0.000 1.070 409 L CA -1.117 53.752 54.840 0.049 0.000 0.805 409 L CB 1.503 43.628 42.059 0.109 0.000 1.174 409 L HN 0.702 nan 8.230 nan 0.000 0.434 410 V N 3.723 123.619 119.914 -0.030 0.000 2.680 410 V HA 0.608 5.141 4.120 0.690 0.000 0.309 410 V C -1.235 174.836 176.094 -0.038 0.000 1.052 410 V CA -0.347 62.050 62.300 0.161 0.000 0.908 410 V CB 1.980 33.933 31.823 0.217 0.000 1.001 410 V HN 0.505 nan 8.190 nan 0.000 0.431 411 F N 5.529 125.639 119.950 0.266 0.000 2.574 411 F HA 0.600 5.463 4.527 0.560 0.000 0.313 411 F C -0.100 175.862 175.800 0.270 0.000 1.130 411 F CA -0.499 57.642 58.000 0.235 0.000 0.936 411 F CB 2.113 41.218 39.000 0.175 0.000 1.219 411 F HN 0.243 nan 8.300 nan 0.000 0.445 412 I N 4.747 125.573 120.570 0.427 0.000 2.428 412 I HA 0.379 4.962 4.170 0.690 0.000 0.279 412 I C -0.464 175.784 176.117 0.218 0.000 1.040 412 I CA -0.542 60.942 61.300 0.307 0.000 1.171 412 I CB 0.794 38.930 38.000 0.227 0.000 1.312 412 I HN 0.616 nan 8.210 nan 0.000 0.470 413 R N 4.333 124.963 120.500 0.216 0.000 2.720 413 R HA 0.587 5.341 4.340 0.690 0.000 0.272 413 R C -0.580 175.787 176.300 0.111 0.000 0.991 413 R CA -0.834 55.357 56.100 0.153 0.000 1.010 413 R CB 1.972 32.364 30.300 0.153 0.000 1.141 413 R HN 0.343 nan 8.270 nan 0.000 0.494 414 E N 1.995 122.245 120.200 0.083 0.000 2.113 414 E HA 0.110 4.874 4.350 0.690 0.000 0.273 414 E C 0.639 177.292 176.600 0.088 0.000 0.924 414 E CA -0.569 55.878 56.400 0.078 0.000 0.764 414 E CB 1.708 31.435 29.700 0.045 0.000 1.104 414 E HN 0.570 nan 8.360 nan 0.000 0.406 415 V N 6.544 126.520 119.914 0.104 0.000 2.220 415 V HA -0.245 4.289 4.120 0.690 0.000 0.250 415 V C -0.917 175.229 176.094 0.087 0.000 1.056 415 V CA 2.130 64.488 62.300 0.097 0.000 1.016 415 V CB -1.465 30.421 31.823 0.104 0.000 0.639 415 V HN 0.685 nan 8.190 nan 0.000 0.446 416 P HA -0.164 nan 4.420 nan 0.000 0.212 416 P C 1.809 179.167 177.300 0.098 0.000 1.178 416 P CA 1.610 64.757 63.100 0.078 0.000 0.915 416 P CB -0.159 31.581 31.700 0.067 0.000 0.788 417 L N -2.085 119.193 121.223 0.092 0.000 2.551 417 L HA 0.020 4.773 4.340 0.690 0.000 0.228 417 L C 0.766 177.700 176.870 0.105 0.000 1.153 417 L CA 0.468 55.373 54.840 0.108 0.000 0.851 417 L CB -0.946 41.154 42.059 0.068 0.000 0.959 417 L HN 0.161 nan 8.230 nan 0.000 0.451 418 N N 1.091 119.847 118.700 0.092 0.000 2.725 418 N HA -0.142 5.012 4.740 0.690 0.000 0.249 418 N C 0.091 175.630 175.510 0.049 0.000 1.103 418 N CA 1.140 54.236 53.050 0.076 0.000 0.707 418 N CB -0.615 37.928 38.487 0.093 0.000 1.043 418 N HN 0.511 nan 8.380 nan 0.000 0.553 419 T N -1.011 113.573 114.554 0.050 0.000 2.845 419 T HA 0.586 5.349 4.350 0.690 0.000 0.288 419 T C 0.891 175.631 174.700 0.066 0.000 0.980 419 T CA -0.687 61.438 62.100 0.042 0.000 1.071 419 T CB 1.523 70.408 68.868 0.029 0.000 0.941 419 T HN 0.174 nan 8.240 nan 0.000 0.487 420 I N 4.149 124.768 120.570 0.082 0.000 2.308 420 I HA 0.186 4.770 4.170 0.690 0.000 0.293 420 I C 1.135 177.293 176.117 0.069 0.000 1.078 420 I CA -0.526 60.850 61.300 0.126 0.000 1.292 420 I CB 0.421 38.525 38.000 0.173 0.000 1.423 420 I HN 0.708 nan 8.210 nan 0.000 0.493 421 I N 5.348 125.945 120.570 0.046 0.000 2.235 421 I HA -0.014 4.569 4.170 0.690 0.000 0.241 421 I C 0.253 176.172 176.117 -0.330 0.000 1.085 421 I CA 1.264 62.503 61.300 -0.101 0.000 1.378 421 I CB 0.040 38.017 38.000 -0.038 0.000 1.076 421 I HN 0.298 nan 8.210 nan 0.000 0.415 422 F N 0.579 120.553 119.950 0.040 0.000 2.577 422 F HA 0.624 5.561 4.527 0.683 0.000 0.318 422 F C -0.121 175.654 175.800 -0.040 0.000 1.065 422 F CA -0.885 57.082 58.000 -0.056 0.000 0.929 422 F CB 1.929 40.938 39.000 0.014 0.000 1.237 422 F HN -0.162 nan 8.300 nan 0.000 0.468 423 M N 1.323 120.914 119.600 -0.015 0.000 2.471 423 M HA 0.906 5.800 4.480 0.690 0.000 0.284 423 M C -1.117 175.137 176.300 -0.077 0.000 1.203 423 M CA -0.302 54.916 55.300 -0.137 0.000 0.915 423 M CB 2.491 34.958 32.600 -0.221 0.000 1.734 423 M HN 0.763 nan 8.290 nan 0.000 0.485 424 G N 1.469 110.213 108.800 -0.093 0.000 2.428 424 G HA2 0.543 4.916 3.960 0.690 0.000 0.305 424 G HA3 0.543 4.916 3.960 0.690 0.000 0.305 424 G C -2.335 172.589 174.900 0.039 0.000 1.260 424 G CA -0.942 44.271 45.100 0.189 0.000 0.853 424 G HN 0.889 nan 8.290 nan 0.000 0.480 425 R N 0.054 120.622 120.500 0.113 0.000 2.510 425 R HA 0.515 5.269 4.340 0.690 0.000 0.294 425 R C -1.587 174.608 176.300 -0.176 0.000 1.056 425 R CA -0.416 55.659 56.100 -0.042 0.000 0.918 425 R CB 1.890 32.251 30.300 0.101 0.000 1.187 425 R HN 0.398 nan 8.270 nan 0.000 0.437 426 V N 4.901 124.511 119.914 -0.506 0.000 2.339 426 V HA 0.263 4.796 4.120 0.690 0.000 0.261 426 V C 1.045 176.838 176.094 -0.502 0.000 1.058 426 V CA 0.205 62.118 62.300 -0.644 0.000 0.897 426 V CB 0.803 31.903 31.823 -1.205 0.000 1.052 426 V HN 0.924 nan 8.190 nan 0.000 0.480 427 A N 4.471 127.118 122.820 -0.289 0.000 2.063 427 A HA 0.165 4.899 4.320 0.690 0.000 0.211 427 A C 1.003 178.407 177.584 -0.300 0.000 1.177 427 A CA 0.343 52.273 52.037 -0.179 0.000 0.759 427 A CB -0.094 18.859 19.000 -0.078 0.000 0.857 427 A HN 0.711 nan 8.150 nan 0.000 0.468 428 N N 0.099 118.531 118.700 -0.447 0.000 2.573 428 N HA 0.334 5.488 4.740 0.690 0.000 0.262 428 N C -2.221 172.908 175.510 -0.636 0.000 1.029 428 N CA -1.513 51.129 53.050 -0.680 0.000 0.882 428 N CB 1.923 39.905 38.487 -0.842 0.000 1.204 428 N HN -0.042 nan 8.380 nan 0.000 0.519 429 P HA 0.134 nan 4.420 nan 0.000 0.245 429 P C -0.257 176.860 177.300 -0.304 0.000 1.203 429 P CA -0.028 62.749 63.100 -0.538 0.000 0.792 429 P CB 0.236 31.668 31.700 -0.446 0.000 0.997 430 C N 0.553 119.609 119.300 -0.406 0.000 2.604 430 C HA 0.471 5.344 4.460 0.690 0.000 0.396 430 C C 0.908 175.832 174.990 -0.110 0.000 1.282 430 C CA 0.068 58.958 59.018 -0.213 0.000 2.292 430 C CB 0.598 28.202 27.740 -0.228 0.000 2.633 430 C HN 0.060 nan 8.230 nan 0.000 0.620 431 V N 0.000 119.895 119.914 -0.032 0.000 2.409 431 V HA 0.000 4.534 4.120 0.690 0.000 0.244 431 V CA 0.000 62.308 62.300 0.014 0.000 1.235 431 V CB 0.000 31.845 31.823 0.036 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556