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 1kre_1_A DATA FIRST_RESID 36 DATA SEQUENCE SNQAKADAVK EAFQHAWNGY MKYAFPHDEL TPVSNGHADS RNGWGASAVD DATA SEQUENCE ALSTAVIMGK ADVVNAILEH VADIDFSKTS DTVSLFETTI RYLAGMLSGY DATA SEQUENCE DLLQGPAKNL VDNQDLIDGL LDQSRNLADV LKFAFDTPSG VPYNNINITS DATA SEQUENCE HGNDGATTNG LAVTGTLVLE WTRLSDLTGD EEYAKLSQKA ESYLLKPQPS DATA SEQUENCE SSEPFPGLVG SSININDGQF ADSRVSWNGG DDSFYEYLIK MYVYDPKRFE DATA SEQUENCE TYKDRWVLAA ESTIKHLKSH PKSRPDLTFL SSYSNRNYDL SSQHLTcFDG DATA SEQUENCE GSFLLGGTVL DRQDFIDFGL ELVDGcEATY NSTLTKIGPD SWGWDPKKVP DATA SEQUENCE SDQKEFYEKA GFYISSGSYV LRPEVIESFY YAHRVTGKEI YRDWVWNAFV DATA SEQUENCE AINSTCRTDS GFAAVSDVNK ANGGSKYDNQ ESFLFAEVMK YSYLAHSEDA DATA SEQUENCE AWQVQKGGKN TFVYNTEAHP ISVAR 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 36 S HA 0.000 nan 4.470 nan 0.000 0.327 36 S C 0.000 174.506 174.600 -0.156 0.000 1.055 36 S CA 0.000 58.131 58.200 -0.115 0.000 1.107 36 S CB 0.000 63.146 63.200 -0.090 0.000 0.593 37 N N 1.121 119.756 118.700 -0.108 0.000 2.205 37 N HA -0.194 4.545 4.740 -0.003 0.000 0.186 37 N C 1.699 177.162 175.510 -0.078 0.000 1.015 37 N CA 1.378 54.382 53.050 -0.077 0.000 0.862 37 N CB -0.113 38.364 38.487 -0.018 0.000 0.986 37 N HN 0.278 nan 8.380 nan 0.000 0.429 38 Q N 1.402 121.168 119.800 -0.056 0.000 2.050 38 Q HA -0.035 4.303 4.340 -0.003 0.000 0.202 38 Q C 1.922 177.908 176.000 -0.024 0.000 0.980 38 Q CA 1.864 57.652 55.803 -0.025 0.000 0.840 38 Q CB -0.418 28.315 28.738 -0.008 0.000 0.898 38 Q HN 0.344 nan 8.270 nan 0.000 0.424 39 A N 0.453 123.242 122.820 -0.053 0.000 1.902 39 A HA -0.199 4.119 4.320 -0.003 0.000 0.217 39 A C 2.019 179.565 177.584 -0.063 0.000 1.181 39 A CA 1.749 53.764 52.037 -0.037 0.000 0.623 39 A CB -0.462 18.508 19.000 -0.049 0.000 0.818 39 A HN 0.411 nan 8.150 nan 0.000 0.443 40 K N -0.332 119.927 120.400 -0.236 0.000 2.057 40 K HA -0.042 4.276 4.320 -0.003 0.000 0.207 40 K C 2.327 178.842 176.600 -0.142 0.000 1.049 40 K CA 1.079 57.108 56.287 -0.431 0.000 0.931 40 K CB -0.326 31.543 32.500 -1.052 0.000 0.714 40 K HN 0.437 nan 8.250 nan 0.000 0.440 41 A N 1.972 124.741 122.820 -0.085 0.000 1.902 41 A HA -0.216 4.103 4.320 -0.003 0.000 0.217 41 A C 1.675 179.384 177.584 0.209 0.000 1.181 41 A CA 1.897 53.967 52.037 0.056 0.000 0.623 41 A CB -0.433 18.558 19.000 -0.015 0.000 0.818 41 A HN 0.195 nan 8.150 nan 0.000 0.443 42 D N -0.012 120.477 120.400 0.148 0.000 2.178 42 D HA -0.037 4.601 4.640 -0.003 0.000 0.201 42 D C 2.193 178.607 176.300 0.190 0.000 0.980 42 D CA 1.314 55.411 54.000 0.163 0.000 0.842 42 D CB -0.298 40.573 40.800 0.119 0.000 0.948 42 D HN 0.444 nan 8.370 nan 0.000 0.472 43 A N 0.677 123.625 122.820 0.213 0.000 1.933 43 A HA -0.121 4.197 4.320 -0.003 0.000 0.218 43 A C 2.522 180.314 177.584 0.345 0.000 1.175 43 A CA 1.004 53.233 52.037 0.320 0.000 0.628 43 A CB -0.602 18.690 19.000 0.486 0.000 0.814 43 A HN 0.142 nan 8.150 nan 0.000 0.444 44 V N 0.055 120.081 119.914 0.186 0.000 2.427 44 V HA -0.241 3.877 4.120 -0.003 0.000 0.248 44 V C 2.364 178.579 176.094 0.202 0.000 1.051 44 V CA 2.250 64.563 62.300 0.022 0.000 1.048 44 V CB -0.654 31.072 31.823 -0.162 0.000 0.666 44 V HN 0.549 nan 8.190 nan 0.000 0.456 45 K N -0.096 120.407 120.400 0.172 0.000 2.147 45 K HA -0.195 4.123 4.320 -0.003 0.000 0.205 45 K C 2.273 179.034 176.600 0.269 0.000 1.049 45 K CA 1.313 57.670 56.287 0.117 0.000 0.936 45 K CB -0.178 32.339 32.500 0.029 0.000 0.722 45 K HN 0.375 nan 8.250 nan 0.000 0.446 46 E N 1.292 121.661 120.200 0.282 0.000 2.072 46 E HA -0.156 4.192 4.350 -0.003 0.000 0.191 46 E C 1.894 178.738 176.600 0.406 0.000 0.985 46 E CA 1.309 57.892 56.400 0.305 0.000 0.801 46 E CB -0.003 29.852 29.700 0.258 0.000 0.750 46 E HN 0.259 nan 8.360 nan 0.000 0.452 47 A N 0.549 123.660 122.820 0.486 0.000 1.902 47 A HA -0.159 4.159 4.320 -0.003 0.000 0.217 47 A C 2.135 180.113 177.584 0.657 0.000 1.181 47 A CA 1.296 53.713 52.037 0.633 0.000 0.623 47 A CB -0.945 18.499 19.000 0.739 0.000 0.818 47 A HN 0.423 nan 8.150 nan 0.000 0.443 48 F N 0.368 120.544 119.950 0.376 0.000 2.075 48 F HA -0.202 4.324 4.527 -0.002 0.000 0.297 48 F C 2.470 178.533 175.800 0.437 0.000 1.113 48 F CA 2.341 60.553 58.000 0.352 0.000 1.218 48 F CB -0.332 38.784 39.000 0.192 0.000 0.984 48 F HN 0.280 nan 8.300 nan 0.000 0.472 49 Q N -0.111 120.042 119.800 0.589 0.000 2.152 49 Q HA -0.298 4.041 4.340 -0.003 0.000 0.206 49 Q C 2.107 178.332 176.000 0.374 0.000 0.985 49 Q CA 2.297 58.374 55.803 0.457 0.000 0.863 49 Q CB -0.712 28.240 28.738 0.357 0.000 0.904 49 Q HN 0.706 nan 8.270 nan 0.000 0.422 50 H N -0.816 118.425 119.070 0.284 0.000 2.319 50 H HA -0.055 4.500 4.556 -0.002 0.000 0.299 50 H C 1.592 177.024 175.328 0.173 0.000 1.092 50 H CA 2.388 58.550 56.048 0.190 0.000 1.302 50 H CB -0.365 29.488 29.762 0.152 0.000 1.373 50 H HN 0.293 nan 8.280 nan 0.000 0.497 51 A N 0.810 123.725 122.820 0.159 0.000 1.929 51 A HA -0.143 4.175 4.320 -0.003 0.000 0.216 51 A C 2.460 180.220 177.584 0.294 0.000 1.176 51 A CA 1.094 53.192 52.037 0.101 0.000 0.628 51 A CB -1.374 17.702 19.000 0.127 0.000 0.816 51 A HN 0.807 nan 8.150 nan 0.000 0.444 52 W N 1.237 122.641 121.300 0.173 0.000 2.358 52 W HA -0.177 4.481 4.660 -0.002 0.000 0.303 52 W C 1.722 178.279 176.519 0.064 0.000 1.208 52 W CA 1.737 59.135 57.345 0.088 0.000 1.274 52 W CB -0.468 28.928 29.460 -0.107 0.000 1.138 52 W HN 0.544 nan 8.180 nan 0.000 0.515 53 N N -0.353 118.378 118.700 0.052 0.000 2.084 53 N HA -0.155 4.583 4.740 -0.003 0.000 0.190 53 N C 2.045 177.451 175.510 -0.174 0.000 1.030 53 N CA 1.518 54.525 53.050 -0.071 0.000 0.849 53 N CB -0.908 37.586 38.487 0.012 0.000 1.012 53 N HN 0.125 nan 8.380 nan 0.000 0.423 54 G N 0.211 108.933 108.800 -0.129 0.000 2.422 54 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.218 54 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.218 54 G C 1.313 176.232 174.900 0.031 0.000 1.146 54 G CA 0.605 45.680 45.100 -0.042 0.000 0.769 54 G HN 0.358 nan 8.290 nan 0.000 0.547 55 Y N 0.777 120.990 120.300 -0.145 0.000 2.163 55 Y HA -0.058 4.490 4.550 -0.003 0.000 0.288 55 Y C 2.618 178.345 175.900 -0.289 0.000 1.136 55 Y CA 1.987 59.984 58.100 -0.171 0.000 1.147 55 Y CB -0.318 37.996 38.460 -0.244 0.000 0.987 55 Y HN 0.213 nan 8.280 nan 0.000 0.509 56 M N 0.927 120.082 119.600 -0.742 0.000 2.159 56 M HA -0.117 4.361 4.480 -0.003 0.000 0.263 56 M C 2.196 178.224 176.300 -0.454 0.000 1.063 56 M CA 1.977 56.813 55.300 -0.773 0.000 1.110 56 M CB -0.530 31.606 32.600 -0.773 0.000 1.374 56 M HN 0.234 nan 8.290 nan 0.000 0.411 57 K N -1.340 118.814 120.400 -0.410 0.000 2.057 57 K HA -0.158 4.161 4.320 -0.003 0.000 0.206 57 K C 0.945 177.234 176.600 -0.519 0.000 1.050 57 K CA 1.766 57.753 56.287 -0.500 0.000 0.935 57 K CB -0.094 31.991 32.500 -0.691 0.000 0.715 57 K HN 0.530 nan 8.250 nan 0.000 0.439 58 Y N -2.235 117.999 120.300 -0.109 0.000 2.426 58 Y HA 0.363 4.911 4.550 -0.003 0.000 0.249 58 Y C 1.440 177.339 175.900 -0.002 0.000 1.103 58 Y CA -0.001 58.071 58.100 -0.046 0.000 1.256 58 Y CB 1.075 39.514 38.460 -0.035 0.000 1.208 58 Y HN 0.127 nan 8.280 nan 0.000 0.519 59 A N -0.802 122.045 122.820 0.045 0.000 2.048 59 A HA 0.162 4.481 4.320 -0.003 0.000 0.197 59 A C 0.048 177.557 177.584 -0.125 0.000 1.486 59 A CA -0.371 51.710 52.037 0.073 0.000 1.029 59 A CB -0.460 18.698 19.000 0.264 0.000 1.101 59 A HN 0.187 nan 8.150 nan 0.000 0.470 60 F N 2.991 122.468 119.950 -0.788 0.000 2.635 60 F HA 0.214 4.739 4.527 -0.002 0.000 0.379 60 F C -1.328 174.262 175.800 -0.351 0.000 1.094 60 F CA -0.759 56.772 58.000 -0.781 0.000 1.300 60 F CB 0.947 39.425 39.000 -0.871 0.000 1.035 60 F HN 0.077 nan 8.300 nan 0.000 0.581 61 P HA 0.055 nan 4.420 nan 0.000 0.254 61 P C -0.399 176.529 177.300 -0.620 0.000 1.620 61 P CA 0.058 62.325 63.100 -1.390 0.000 1.050 61 P CB -0.126 30.636 31.700 -1.564 0.000 1.539 62 H N 0.749 119.643 119.070 -0.292 0.000 2.730 62 H HA 0.024 4.579 4.556 -0.003 0.000 0.376 62 H C 1.060 176.441 175.328 0.087 0.000 1.299 62 H CA 0.243 56.225 56.048 -0.109 0.000 1.447 62 H CB 0.922 30.606 29.762 -0.130 0.000 1.493 62 H HN 0.012 nan 8.280 nan 0.000 0.619 63 D N 0.281 120.809 120.400 0.214 0.000 2.123 63 D HA -0.116 4.523 4.640 -0.003 0.000 0.196 63 D C 0.896 177.294 176.300 0.164 0.000 0.992 63 D CA 1.577 55.690 54.000 0.188 0.000 0.833 63 D CB 0.419 41.310 40.800 0.152 0.000 0.954 63 D HN 0.629 nan 8.370 nan 0.000 0.455 64 E N -0.376 119.951 120.200 0.213 0.000 2.430 64 E HA 0.321 4.669 4.350 -0.003 0.000 0.279 64 E C -1.127 175.632 176.600 0.265 0.000 1.003 64 E CA -0.946 55.553 56.400 0.166 0.000 0.801 64 E CB 1.654 31.381 29.700 0.045 0.000 1.313 64 E HN -0.022 nan 8.360 nan 0.000 0.459 65 L N 1.059 122.436 121.223 0.255 0.000 2.350 65 L HA 0.450 4.788 4.340 -0.003 0.000 0.275 65 L C -0.232 176.696 176.870 0.096 0.000 1.099 65 L CA 0.150 55.134 54.840 0.240 0.000 0.808 65 L CB 1.382 43.616 42.059 0.291 0.000 1.149 65 L HN 0.671 nan 8.230 nan 0.000 0.442 66 T N 2.921 117.497 114.554 0.036 0.000 2.832 66 T HA 0.397 4.746 4.350 -0.003 0.000 0.313 66 T C -1.739 172.934 174.700 -0.044 0.000 1.035 66 T CA -1.608 60.482 62.100 -0.016 0.000 0.950 66 T CB 0.826 69.658 68.868 -0.059 0.000 0.984 66 T HN 0.634 nan 8.240 nan 0.000 0.486 67 P HA -0.072 nan 4.420 nan 0.000 0.223 67 P C 1.148 178.408 177.300 -0.067 0.000 1.144 67 P CA 0.411 63.488 63.100 -0.040 0.000 0.783 67 P CB 0.204 31.900 31.700 -0.007 0.000 0.771 68 V N 0.459 120.334 119.914 -0.065 0.000 2.788 68 V HA -0.045 4.073 4.120 -0.003 0.000 0.241 68 V C 2.639 178.663 176.094 -0.117 0.000 1.083 68 V CA 1.860 64.117 62.300 -0.072 0.000 1.103 68 V CB -0.950 30.850 31.823 -0.040 0.000 0.800 68 V HN 0.239 nan 8.190 nan 0.000 0.476 69 S N -0.807 114.813 115.700 -0.133 0.000 2.558 69 S HA 0.024 4.493 4.470 -0.003 0.000 0.217 69 S C 0.710 175.150 174.600 -0.268 0.000 0.975 69 S CA 0.114 58.213 58.200 -0.168 0.000 0.912 69 S CB -0.323 62.791 63.200 -0.143 0.000 0.776 69 S HN 0.571 nan 8.310 nan 0.000 0.526 70 N N 1.716 120.220 118.700 -0.326 0.000 2.708 70 N HA -0.095 4.643 4.740 -0.003 0.000 0.255 70 N C 0.079 175.332 175.510 -0.428 0.000 1.046 70 N CA 0.937 53.628 53.050 -0.599 0.000 0.715 70 N CB -1.495 36.293 38.487 -1.166 0.000 0.895 70 N HN 0.716 nan 8.380 nan 0.000 0.545 71 G N -0.806 107.855 108.800 -0.232 0.000 3.252 71 G HA2 0.725 4.684 3.960 -0.003 0.000 0.181 71 G HA3 0.725 4.684 3.960 -0.003 0.000 0.181 71 G C -0.579 174.242 174.900 -0.130 0.000 1.187 71 G CA -0.177 44.780 45.100 -0.239 0.000 0.886 71 G HN 0.565 nan 8.290 nan 0.000 0.615 72 H N -2.300 116.708 119.070 -0.103 0.000 3.016 72 H HA 0.859 5.414 4.556 -0.003 0.000 0.362 72 H C -0.620 174.636 175.328 -0.120 0.000 1.233 72 H CA -0.740 55.244 56.048 -0.108 0.000 1.124 72 H CB 1.436 31.033 29.762 -0.275 0.000 1.850 72 H HN 0.941 nan 8.280 nan 0.000 0.549 73 A N 0.597 123.520 122.820 0.172 0.000 2.594 73 A HA 0.553 4.872 4.320 -0.003 0.000 0.291 73 A C -1.597 176.076 177.584 0.148 0.000 1.105 73 A CA -0.816 51.295 52.037 0.123 0.000 0.694 73 A CB 1.498 20.532 19.000 0.057 0.000 1.291 73 A HN 0.802 nan 8.150 nan 0.000 0.410 74 D N 1.953 122.420 120.400 0.113 0.000 2.443 74 D HA 0.216 4.854 4.640 -0.003 0.000 0.281 74 D C 0.650 176.979 176.300 0.047 0.000 1.210 74 D CA 0.374 54.430 54.000 0.093 0.000 0.875 74 D CB 1.127 41.978 40.800 0.085 0.000 1.125 74 D HN 0.542 nan 8.370 nan 0.000 0.503 75 S N 0.377 116.112 115.700 0.057 0.000 2.593 75 S HA 0.058 4.527 4.470 -0.003 0.000 0.217 75 S C 1.032 175.673 174.600 0.069 0.000 0.966 75 S CA -0.116 58.115 58.200 0.051 0.000 0.914 75 S CB 0.411 63.642 63.200 0.051 0.000 0.776 75 S HN 0.166 nan 8.310 nan 0.000 0.523 76 R N 1.242 121.792 120.500 0.083 0.000 2.881 76 R HA 0.323 4.662 4.340 -0.003 0.000 0.331 76 R C -0.614 175.689 176.300 0.005 0.000 1.207 76 R CA -0.034 56.163 56.100 0.160 0.000 1.265 76 R CB -0.663 29.814 30.300 0.295 0.000 1.351 76 R HN 0.446 nan 8.270 nan 0.000 0.613 77 N N -0.038 118.534 118.700 -0.213 0.000 2.863 77 N HA -0.228 4.510 4.740 -0.003 0.000 0.245 77 N C 0.727 175.728 175.510 -0.848 0.000 1.001 77 N CA 1.136 53.798 53.050 -0.645 0.000 0.901 77 N CB -0.815 37.056 38.487 -1.027 0.000 1.124 77 N HN 0.650 nan 8.380 nan 0.000 0.582 78 G N -1.573 106.987 108.800 -0.400 0.000 2.153 78 G HA2 -0.311 3.648 3.960 -0.003 0.000 0.252 78 G HA3 -0.311 3.648 3.960 -0.003 0.000 0.252 78 G C 0.402 175.231 174.900 -0.118 0.000 0.994 78 G CA 0.530 45.488 45.100 -0.236 0.000 0.698 78 G HN 0.597 nan 8.290 nan 0.000 0.521 79 W N -0.279 121.058 121.300 0.063 0.000 3.290 79 W HA 0.496 5.155 4.660 -0.002 0.000 0.287 79 W C 1.503 178.184 176.519 0.271 0.000 1.288 79 W CA -0.201 57.150 57.345 0.009 0.000 1.725 79 W CB 0.047 29.365 29.460 -0.236 0.000 1.103 79 W HN 1.236 nan 8.180 nan 0.000 0.670 80 G N 0.834 109.888 108.800 0.422 0.000 2.414 80 G HA2 -0.085 3.873 3.960 -0.003 0.000 0.256 80 G HA3 -0.085 3.873 3.960 -0.003 0.000 0.256 80 G C 1.015 176.146 174.900 0.386 0.000 1.128 80 G CA -0.167 45.103 45.100 0.284 0.000 0.944 80 G HN 0.480 nan 8.290 nan 0.000 0.500 81 A N 0.239 123.269 122.820 0.351 0.000 1.892 81 A HA 0.023 4.342 4.320 -0.003 0.000 0.218 81 A C 2.722 180.294 177.584 -0.021 0.000 1.188 81 A CA 2.843 54.901 52.037 0.034 0.000 0.631 81 A CB -0.633 18.365 19.000 -0.003 0.000 0.822 81 A HN 1.272 nan 8.150 nan 0.000 0.447 82 S N -0.603 115.055 115.700 -0.069 0.000 2.419 82 S HA 0.029 4.498 4.470 -0.003 0.000 0.233 82 S C 2.161 176.620 174.600 -0.235 0.000 1.016 82 S CA 1.058 59.095 58.200 -0.272 0.000 0.974 82 S CB -0.347 62.388 63.200 -0.775 0.000 0.786 82 S HN 0.803 nan 8.310 nan 0.000 0.492 83 A N 0.864 123.730 122.820 0.077 0.000 1.874 83 A HA 0.045 4.364 4.320 -0.003 0.000 0.214 83 A C 2.285 180.029 177.584 0.267 0.000 1.189 83 A CA 1.087 53.357 52.037 0.388 0.000 0.615 83 A CB -0.710 18.613 19.000 0.539 0.000 0.830 83 A HN 0.336 nan 8.150 nan 0.000 0.443 84 V N 0.462 120.514 119.914 0.230 0.000 2.358 84 V HA -0.201 3.917 4.120 -0.003 0.000 0.246 84 V C 2.193 178.325 176.094 0.064 0.000 1.047 84 V CA 2.300 64.701 62.300 0.169 0.000 1.035 84 V CB -0.751 31.210 31.823 0.229 0.000 0.658 84 V HN 0.469 nan 8.190 nan 0.000 0.452 85 D N 0.169 120.616 120.400 0.078 0.000 2.219 85 D HA -0.065 4.574 4.640 -0.003 0.000 0.205 85 D C 2.058 178.525 176.300 0.278 0.000 0.970 85 D CA 1.323 55.452 54.000 0.215 0.000 0.851 85 D CB -0.069 40.849 40.800 0.197 0.000 0.943 85 D HN 0.419 nan 8.370 nan 0.000 0.488 86 A N 0.098 123.020 122.820 0.171 0.000 2.119 86 A HA 0.017 4.336 4.320 -0.003 0.000 0.216 86 A C 2.151 179.796 177.584 0.102 0.000 1.152 86 A CA 0.136 52.294 52.037 0.202 0.000 0.708 86 A CB -0.442 18.548 19.000 -0.017 0.000 0.805 86 A HN 0.277 nan 8.150 nan 0.000 0.460 87 L N 0.533 121.775 121.223 0.031 0.000 1.956 87 L HA -0.260 4.079 4.340 -0.003 0.000 0.216 87 L C 3.005 179.819 176.870 -0.093 0.000 1.073 87 L CA 2.437 57.247 54.840 -0.049 0.000 0.762 87 L CB -0.451 41.586 42.059 -0.037 0.000 0.889 87 L HN 0.612 nan 8.230 nan 0.000 0.433 88 S N -2.046 113.620 115.700 -0.057 0.000 2.400 88 S HA -0.194 4.274 4.470 -0.003 0.000 0.232 88 S C 1.745 176.224 174.600 -0.202 0.000 1.025 88 S CA 1.742 59.882 58.200 -0.101 0.000 0.993 88 S CB -0.908 62.316 63.200 0.040 0.000 0.808 88 S HN 0.489 nan 8.310 nan 0.000 0.478 89 T N 2.621 117.089 114.554 -0.143 0.000 2.770 89 T HA 0.162 4.511 4.350 -0.003 0.000 0.263 89 T C 2.286 176.653 174.700 -0.554 0.000 1.039 89 T CA 1.249 63.165 62.100 -0.306 0.000 1.142 89 T CB -0.821 67.967 68.868 -0.134 0.000 0.868 89 T HN 0.618 nan 8.240 nan 0.000 0.435 90 A N 1.130 123.667 122.820 -0.472 0.000 1.908 90 A HA -0.071 4.247 4.320 -0.003 0.000 0.218 90 A C 2.581 179.905 177.584 -0.433 0.000 1.181 90 A CA 1.438 53.153 52.037 -0.536 0.000 0.627 90 A CB -1.113 17.677 19.000 -0.350 0.000 0.818 90 A HN 0.344 nan 8.150 nan 0.000 0.445 91 V N 0.178 119.881 119.914 -0.353 0.000 2.295 91 V HA -0.278 3.840 4.120 -0.003 0.000 0.246 91 V C 2.409 178.237 176.094 -0.444 0.000 1.049 91 V CA 2.083 64.190 62.300 -0.322 0.000 1.024 91 V CB -0.647 31.017 31.823 -0.266 0.000 0.648 91 V HN 0.582 nan 8.190 nan 0.000 0.447 92 I N -0.728 119.465 120.570 -0.629 0.000 2.361 92 I HA -0.260 3.908 4.170 -0.003 0.000 0.251 92 I C 2.258 178.063 176.117 -0.520 0.000 1.133 92 I CA 1.638 62.402 61.300 -0.893 0.000 1.413 92 I CB -0.192 37.212 38.000 -0.993 0.000 1.073 92 I HN 0.297 nan 8.210 nan 0.000 0.424 93 M N -0.052 119.191 119.600 -0.596 0.000 2.618 93 M HA 0.124 4.603 4.480 -0.003 0.000 0.240 93 M C 1.314 177.422 176.300 -0.319 0.000 1.123 93 M CA 0.685 55.605 55.300 -0.632 0.000 1.060 93 M CB 0.066 32.136 32.600 -0.883 0.000 1.535 93 M HN 0.413 nan 8.290 nan 0.000 0.507 94 G N 1.978 110.627 108.800 -0.252 0.000 2.198 94 G HA2 -0.270 3.689 3.960 -0.003 0.000 0.260 94 G HA3 -0.270 3.689 3.960 -0.003 0.000 0.260 94 G C -0.163 174.652 174.900 -0.142 0.000 1.025 94 G CA 0.059 45.077 45.100 -0.137 0.000 0.769 94 G HN 0.471 nan 8.290 nan 0.000 0.507 95 K N 0.399 120.674 120.400 -0.208 0.000 2.184 95 K HA 0.576 4.894 4.320 -0.003 0.000 0.259 95 K C 1.717 178.225 176.600 -0.153 0.000 1.119 95 K CA 0.126 56.311 56.287 -0.169 0.000 0.991 95 K CB 0.720 33.095 32.500 -0.209 0.000 1.522 95 K HN 0.339 nan 8.250 nan 0.000 0.405 96 A N 2.740 125.500 122.820 -0.101 0.000 1.908 96 A HA -0.217 4.101 4.320 -0.003 0.000 0.218 96 A C 1.492 179.028 177.584 -0.080 0.000 1.181 96 A CA 1.621 53.609 52.037 -0.082 0.000 0.627 96 A CB -0.138 18.833 19.000 -0.049 0.000 0.818 96 A HN 0.592 nan 8.150 nan 0.000 0.445 97 D N -0.276 120.083 120.400 -0.068 0.000 2.123 97 D HA -0.115 4.524 4.640 -0.003 0.000 0.196 97 D C 2.081 178.326 176.300 -0.093 0.000 0.992 97 D CA 1.545 55.514 54.000 -0.052 0.000 0.833 97 D CB -0.475 40.313 40.800 -0.021 0.000 0.954 97 D HN 0.237 nan 8.370 nan 0.000 0.455 98 V N 0.634 120.432 119.914 -0.193 0.000 2.307 98 V HA -0.196 3.923 4.120 -0.003 0.000 0.245 98 V C 2.680 178.589 176.094 -0.309 0.000 1.045 98 V CA 0.962 63.016 62.300 -0.410 0.000 1.024 98 V CB -0.481 30.922 31.823 -0.700 0.000 0.651 98 V HN 0.048 nan 8.190 nan 0.000 0.449 99 V N 0.663 120.445 119.914 -0.220 0.000 2.255 99 V HA -0.283 3.836 4.120 -0.003 0.000 0.247 99 V C 2.380 178.436 176.094 -0.064 0.000 1.051 99 V CA 2.297 64.511 62.300 -0.143 0.000 1.018 99 V CB -0.890 30.860 31.823 -0.122 0.000 0.641 99 V HN 0.566 nan 8.190 nan 0.000 0.445 100 N N 0.357 119.029 118.700 -0.047 0.000 2.104 100 N HA -0.162 4.577 4.740 -0.003 0.000 0.190 100 N C 1.916 177.445 175.510 0.031 0.000 1.024 100 N CA 1.779 54.826 53.050 -0.005 0.000 0.853 100 N CB -0.442 38.041 38.487 -0.007 0.000 1.008 100 N HN 0.512 nan 8.380 nan 0.000 0.424 101 A N 1.238 124.072 122.820 0.024 0.000 1.902 101 A HA -0.083 4.235 4.320 -0.003 0.000 0.217 101 A C 2.349 180.040 177.584 0.179 0.000 1.181 101 A CA 0.974 53.050 52.037 0.066 0.000 0.623 101 A CB -0.624 18.389 19.000 0.022 0.000 0.818 101 A HN 0.225 nan 8.150 nan 0.000 0.443 102 I N -0.341 120.329 120.570 0.166 0.000 2.252 102 I HA -0.226 3.942 4.170 -0.003 0.000 0.245 102 I C 2.295 178.559 176.117 0.244 0.000 1.102 102 I CA 0.903 62.370 61.300 0.279 0.000 1.385 102 I CB -0.278 37.820 38.000 0.163 0.000 1.064 102 I HN 0.288 nan 8.210 nan 0.000 0.414 103 L N 0.304 121.608 121.223 0.134 0.000 2.083 103 L HA -0.200 4.139 4.340 -0.003 0.000 0.209 103 L C 2.460 179.394 176.870 0.106 0.000 1.083 103 L CA 1.452 56.353 54.840 0.101 0.000 0.752 103 L CB -0.644 41.448 42.059 0.055 0.000 0.899 103 L HN 0.313 nan 8.230 nan 0.000 0.433 104 E N -1.083 119.194 120.200 0.128 0.000 2.208 104 E HA -0.225 4.124 4.350 -0.003 0.000 0.193 104 E C 1.967 178.654 176.600 0.145 0.000 0.988 104 E CA 0.763 57.233 56.400 0.116 0.000 0.828 104 E CB -0.174 29.595 29.700 0.116 0.000 0.763 104 E HN 0.584 nan 8.360 nan 0.000 0.478 105 H N 0.881 120.054 119.070 0.171 0.000 2.436 105 H HA 0.001 4.555 4.556 -0.003 0.000 0.294 105 H C 1.987 177.358 175.328 0.072 0.000 1.048 105 H CA 0.784 56.928 56.048 0.159 0.000 1.353 105 H CB 0.376 30.325 29.762 0.311 0.000 1.414 105 H HN -0.038 nan 8.280 nan 0.000 0.536 106 V N 1.520 121.399 119.914 -0.058 0.000 2.490 106 V HA -0.206 3.912 4.120 -0.003 0.000 0.250 106 V C 2.978 178.981 176.094 -0.151 0.000 1.061 106 V CA 1.370 63.606 62.300 -0.106 0.000 1.064 106 V CB -1.013 30.851 31.823 0.067 0.000 0.670 106 V HN 0.567 nan 8.190 nan 0.000 0.461 107 A N 0.876 123.641 122.820 -0.092 0.000 2.015 107 A HA -0.176 4.142 4.320 -0.003 0.000 0.219 107 A C 1.834 179.343 177.584 -0.125 0.000 1.163 107 A CA 1.583 53.574 52.037 -0.076 0.000 0.646 107 A CB -0.346 18.639 19.000 -0.025 0.000 0.806 107 A HN 0.750 nan 8.150 nan 0.000 0.448 108 D N -0.972 119.314 120.400 -0.191 0.000 2.402 108 D HA 0.154 4.792 4.640 -0.003 0.000 0.216 108 D C 0.206 176.337 176.300 -0.281 0.000 1.128 108 D CA -0.246 53.642 54.000 -0.187 0.000 0.833 108 D CB -0.153 40.572 40.800 -0.126 0.000 0.971 108 D HN 0.405 nan 8.370 nan 0.000 0.503 109 I N 1.492 121.810 120.570 -0.421 0.000 2.496 109 I HA 0.024 4.192 4.170 -0.003 0.000 0.285 109 I C 0.070 175.880 176.117 -0.512 0.000 1.080 109 I CA -0.056 60.905 61.300 -0.566 0.000 1.404 109 I CB 0.896 38.341 38.000 -0.926 0.000 1.403 109 I HN -0.180 nan 8.210 nan 0.000 0.539 110 D N 6.469 126.640 120.400 -0.381 0.000 2.477 110 D HA 0.186 4.824 4.640 -0.003 0.000 0.239 110 D C 0.473 176.628 176.300 -0.242 0.000 1.102 110 D CA -0.397 53.466 54.000 -0.229 0.000 0.901 110 D CB 0.372 41.126 40.800 -0.076 0.000 1.026 110 D HN 0.303 nan 8.370 nan 0.000 0.515 111 F N 1.241 120.997 119.950 -0.323 0.000 2.664 111 F HA -0.112 4.414 4.527 -0.002 0.000 0.297 111 F C 2.432 178.065 175.800 -0.277 0.000 1.164 111 F CA 0.556 58.104 58.000 -0.753 0.000 1.472 111 F CB 0.160 38.677 39.000 -0.805 0.000 1.108 111 F HN 0.333 nan 8.300 nan 0.000 0.596 112 S N -1.151 114.618 115.700 0.115 0.000 2.558 112 S HA 0.094 4.562 4.470 -0.003 0.000 0.217 112 S C 0.472 175.217 174.600 0.242 0.000 0.975 112 S CA -0.221 58.085 58.200 0.176 0.000 0.912 112 S CB -0.118 63.146 63.200 0.106 0.000 0.776 112 S HN 0.149 nan 8.310 nan 0.000 0.526 113 K N 1.089 121.683 120.400 0.324 0.000 2.323 113 K HA 0.621 4.940 4.320 -0.003 0.000 0.259 113 K C -1.174 175.559 176.600 0.222 0.000 0.947 113 K CA -0.305 56.125 56.287 0.239 0.000 0.819 113 K CB 1.941 34.512 32.500 0.118 0.000 1.109 113 K HN 0.123 nan 8.250 nan 0.000 0.429 114 T N -0.305 114.274 114.554 0.042 0.000 2.957 114 T HA 0.103 4.452 4.350 -0.003 0.000 0.336 114 T C 0.113 174.757 174.700 -0.093 0.000 1.462 114 T CA -0.550 61.439 62.100 -0.185 0.000 1.073 114 T CB 1.162 69.760 68.868 -0.451 0.000 1.319 114 T HN 0.523 nan 8.240 nan 0.000 0.485 115 S N 1.847 117.478 115.700 -0.115 0.000 2.556 115 S HA 0.320 4.789 4.470 -0.003 0.000 0.216 115 S C 0.195 174.763 174.600 -0.053 0.000 0.970 115 S CA -0.261 57.901 58.200 -0.063 0.000 0.912 115 S CB 0.100 63.267 63.200 -0.054 0.000 0.790 115 S HN 0.652 nan 8.310 nan 0.000 0.504 116 D N 1.444 121.798 120.400 -0.076 0.000 2.374 116 D HA 0.312 4.950 4.640 -0.003 0.000 0.239 116 D C -0.387 175.910 176.300 -0.005 0.000 0.991 116 D CA -0.186 53.789 54.000 -0.042 0.000 0.960 116 D CB 2.131 42.898 40.800 -0.056 0.000 1.284 116 D HN 0.119 nan 8.370 nan 0.000 0.512 117 T N -0.509 114.060 114.554 0.025 0.000 2.900 117 T HA 0.296 4.644 4.350 -0.003 0.000 0.307 117 T C -0.254 174.497 174.700 0.084 0.000 1.065 117 T CA -0.410 61.727 62.100 0.062 0.000 1.105 117 T CB 0.637 69.539 68.868 0.057 0.000 0.979 117 T HN 0.181 nan 8.240 nan 0.000 0.544 118 V N 2.933 122.926 119.914 0.131 0.000 2.628 118 V HA 0.739 4.857 4.120 -0.003 0.000 0.306 118 V C -0.103 176.084 176.094 0.155 0.000 1.045 118 V CA -0.667 61.734 62.300 0.167 0.000 0.905 118 V CB 1.840 33.815 31.823 0.253 0.000 0.997 118 V HN 0.952 nan 8.190 nan 0.000 0.436 119 S N 4.788 120.593 115.700 0.176 0.000 2.430 119 S HA 0.301 4.770 4.470 -0.003 0.000 0.289 119 S C 0.705 175.419 174.600 0.190 0.000 1.143 119 S CA -0.385 57.920 58.200 0.176 0.000 1.067 119 S CB 0.799 64.127 63.200 0.213 0.000 0.964 119 S HN 1.075 nan 8.310 nan 0.000 0.485 120 L N 6.816 128.118 121.223 0.132 0.000 2.042 120 L HA 0.038 4.376 4.340 -0.003 0.000 0.210 120 L C 1.697 178.692 176.870 0.209 0.000 1.076 120 L CA 2.082 56.990 54.840 0.113 0.000 0.749 120 L CB -0.946 41.078 42.059 -0.059 0.000 0.893 120 L HN 0.867 nan 8.230 nan 0.000 0.432 121 F N 0.120 120.101 119.950 0.052 0.000 2.084 121 F HA -0.167 4.359 4.527 -0.003 0.000 0.296 121 F C 2.347 178.223 175.800 0.126 0.000 1.111 121 F CA 1.762 59.803 58.000 0.068 0.000 1.224 121 F CB -0.215 38.794 39.000 0.013 0.000 0.991 121 F HN 0.086 nan 8.300 nan 0.000 0.471 122 E N 0.120 120.344 120.200 0.041 0.000 2.077 122 E HA -0.166 4.183 4.350 -0.003 0.000 0.193 122 E C 2.237 178.885 176.600 0.080 0.000 0.989 122 E CA 1.882 58.245 56.400 -0.062 0.000 0.800 122 E CB -0.866 28.928 29.700 0.157 0.000 0.746 122 E HN 0.440 nan 8.360 nan 0.000 0.452 123 T N 0.806 115.497 114.554 0.227 0.000 2.821 123 T HA -0.087 4.262 4.350 -0.003 0.000 0.267 123 T C 1.969 176.809 174.700 0.235 0.000 1.046 123 T CA 1.635 63.954 62.100 0.365 0.000 1.139 123 T CB -0.264 68.799 68.868 0.325 0.000 0.871 123 T HN 0.165 nan 8.240 nan 0.000 0.454 124 T N 2.818 117.475 114.554 0.172 0.000 2.701 124 T HA 0.007 4.355 4.350 -0.003 0.000 0.263 124 T C 2.069 176.826 174.700 0.094 0.000 1.040 124 T CA 1.368 63.576 62.100 0.180 0.000 1.147 124 T CB -0.397 68.689 68.868 0.362 0.000 0.865 124 T HN 0.644 nan 8.240 nan 0.000 0.426 125 I N -0.740 119.816 120.570 -0.023 0.000 2.676 125 I HA 0.031 4.199 4.170 -0.003 0.000 0.259 125 I C 2.287 178.453 176.117 0.082 0.000 1.194 125 I CA 1.110 62.401 61.300 -0.015 0.000 1.473 125 I CB -0.214 37.643 38.000 -0.237 0.000 1.096 125 I HN 0.051 nan 8.210 nan 0.000 0.443 126 R N 0.120 120.648 120.500 0.048 0.000 2.056 126 R HA 0.141 4.480 4.340 -0.003 0.000 0.215 126 R C 2.222 178.514 176.300 -0.014 0.000 1.205 126 R CA 0.905 57.033 56.100 0.047 0.000 1.020 126 R CB -0.813 29.416 30.300 -0.119 0.000 0.911 126 R HN 0.269 nan 8.270 nan 0.000 0.451 127 Y N 1.660 122.007 120.300 0.078 0.000 2.109 127 Y HA -0.152 4.396 4.550 -0.003 0.000 0.285 127 Y C 2.507 178.325 175.900 -0.135 0.000 1.131 127 Y CA 1.165 59.264 58.100 -0.000 0.000 1.121 127 Y CB -0.337 38.108 38.460 -0.025 0.000 0.987 127 Y HN 0.001 nan 8.280 nan 0.000 0.495 128 L N -0.508 120.708 121.223 -0.011 0.000 1.970 128 L HA -0.276 4.062 4.340 -0.003 0.000 0.212 128 L C 2.579 179.374 176.870 -0.124 0.000 1.071 128 L CA 1.570 56.308 54.840 -0.169 0.000 0.751 128 L CB -0.639 41.283 42.059 -0.229 0.000 0.889 128 L HN 0.321 nan 8.230 nan 0.000 0.432 129 A N -0.424 122.374 122.820 -0.036 0.000 1.933 129 A HA -0.132 4.186 4.320 -0.003 0.000 0.218 129 A C 2.265 179.752 177.584 -0.160 0.000 1.175 129 A CA 1.549 53.585 52.037 -0.002 0.000 0.628 129 A CB -1.267 17.836 19.000 0.171 0.000 0.814 129 A HN 0.550 nan 8.150 nan 0.000 0.444 130 G N -0.448 108.151 108.800 -0.336 0.000 2.446 130 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.217 130 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.217 130 G C 1.652 176.376 174.900 -0.294 0.000 1.168 130 G CA 1.295 45.978 45.100 -0.695 0.000 0.771 130 G HN 0.480 nan 8.290 nan 0.000 0.551 131 M N -0.582 118.938 119.600 -0.134 0.000 2.156 131 M HA 0.089 4.567 4.480 -0.003 0.000 0.264 131 M C 2.421 178.699 176.300 -0.037 0.000 1.067 131 M CA 0.663 55.929 55.300 -0.056 0.000 1.131 131 M CB -0.264 32.312 32.600 -0.040 0.000 1.368 131 M HN 0.134 nan 8.290 nan 0.000 0.416 132 L N -0.176 121.001 121.223 -0.076 0.000 2.046 132 L HA -0.146 4.192 4.340 -0.003 0.000 0.208 132 L C 2.753 179.659 176.870 0.060 0.000 1.077 132 L CA 1.746 56.568 54.840 -0.031 0.000 0.747 132 L CB -1.027 40.982 42.059 -0.083 0.000 0.896 132 L HN 0.271 nan 8.230 nan 0.000 0.432 133 S N -0.750 114.951 115.700 0.002 0.000 2.356 133 S HA -0.148 4.321 4.470 -0.003 0.000 0.223 133 S C 2.130 176.755 174.600 0.040 0.000 1.032 133 S CA 1.359 59.580 58.200 0.035 0.000 1.005 133 S CB -0.646 62.538 63.200 -0.025 0.000 0.867 133 S HN 0.526 nan 8.310 nan 0.000 0.449 134 G N -0.481 108.315 108.800 -0.007 0.000 2.440 134 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.218 134 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.218 134 G C 1.303 176.238 174.900 0.057 0.000 1.154 134 G CA 1.082 46.181 45.100 -0.002 0.000 0.767 134 G HN 0.639 nan 8.290 nan 0.000 0.552 135 Y N 1.586 121.877 120.300 -0.015 0.000 2.114 135 Y HA -0.142 4.407 4.550 -0.003 0.000 0.284 135 Y C 2.568 178.494 175.900 0.043 0.000 1.143 135 Y CA 2.111 60.214 58.100 0.004 0.000 1.135 135 Y CB -0.082 38.370 38.460 -0.013 0.000 0.980 135 Y HN 0.168 nan 8.280 nan 0.000 0.499 136 D N 0.135 120.668 120.400 0.222 0.000 2.149 136 D HA -0.186 4.452 4.640 -0.003 0.000 0.198 136 D C 2.254 178.679 176.300 0.208 0.000 0.990 136 D CA 1.508 55.627 54.000 0.199 0.000 0.839 136 D CB -0.309 40.663 40.800 0.286 0.000 0.948 136 D HN 0.412 nan 8.370 nan 0.000 0.460 137 L N -0.058 121.262 121.223 0.162 0.000 2.044 137 L HA -0.073 4.265 4.340 -0.003 0.000 0.205 137 L C 2.440 179.333 176.870 0.039 0.000 1.075 137 L CA 0.617 55.517 54.840 0.100 0.000 0.747 137 L CB -0.256 41.777 42.059 -0.043 0.000 0.903 137 L HN 0.016 nan 8.230 nan 0.000 0.435 138 L N -0.765 120.436 121.223 -0.037 0.000 2.376 138 L HA -0.147 4.191 4.340 -0.003 0.000 0.219 138 L C 2.212 179.017 176.870 -0.109 0.000 1.133 138 L CA 0.505 55.304 54.840 -0.068 0.000 0.816 138 L CB -0.183 41.826 42.059 -0.083 0.000 0.933 138 L HN 0.287 nan 8.230 nan 0.000 0.449 139 Q N -0.527 119.167 119.800 -0.177 0.000 2.408 139 Q HA 0.105 4.444 4.340 -0.003 0.000 0.205 139 Q C 1.131 177.089 176.000 -0.071 0.000 0.919 139 Q CA 0.701 56.373 55.803 -0.218 0.000 0.932 139 Q CB 0.622 29.082 28.738 -0.464 0.000 1.058 139 Q HN 0.378 nan 8.270 nan 0.000 0.517 140 G N -0.256 108.556 108.800 0.021 0.000 3.069 140 G HA2 0.138 4.097 3.960 -0.003 0.000 0.205 140 G HA3 0.138 4.097 3.960 -0.003 0.000 0.205 140 G C -1.734 173.233 174.900 0.112 0.000 1.771 140 G CA 0.041 45.196 45.100 0.092 0.000 0.739 140 G HN 0.104 nan 8.290 nan 0.000 0.784 141 P HA -0.003 nan 4.420 nan 0.000 0.222 141 P C 0.759 178.168 177.300 0.181 0.000 1.142 141 P CA 1.896 65.087 63.100 0.152 0.000 0.788 141 P CB 0.157 31.956 31.700 0.166 0.000 0.767 142 A N -0.986 121.935 122.820 0.168 0.000 2.637 142 A HA 0.232 4.550 4.320 -0.003 0.000 0.293 142 A C 1.760 179.370 177.584 0.043 0.000 1.216 142 A CA -0.374 51.735 52.037 0.121 0.000 0.956 142 A CB -0.378 18.673 19.000 0.086 0.000 1.174 142 A HN -0.042 nan 8.150 nan 0.000 0.525 143 K N 0.209 120.628 120.400 0.032 0.000 2.211 143 K HA -0.133 4.185 4.320 -0.003 0.000 0.204 143 K C 0.796 177.395 176.600 -0.002 0.000 1.047 143 K CA 1.557 57.844 56.287 -0.000 0.000 0.935 143 K CB -0.132 32.366 32.500 -0.003 0.000 0.728 143 K HN 0.635 nan 8.250 nan 0.000 0.452 144 N N 0.325 119.031 118.700 0.011 0.000 2.314 144 N HA -0.017 4.721 4.740 -0.003 0.000 0.200 144 N C 0.936 176.447 175.510 0.003 0.000 1.135 144 N CA -0.303 52.750 53.050 0.006 0.000 0.835 144 N CB 0.302 38.796 38.487 0.012 0.000 0.989 144 N HN 0.006 nan 8.380 nan 0.000 0.478 145 L N 0.121 121.342 121.223 -0.003 0.000 2.249 145 L HA 0.200 4.539 4.340 -0.003 0.000 0.207 145 L C 0.134 176.991 176.870 -0.022 0.000 1.090 145 L CA 0.858 55.689 54.840 -0.014 0.000 0.802 145 L CB 0.510 42.553 42.059 -0.027 0.000 0.947 145 L HN -0.206 nan 8.230 nan 0.000 0.453 146 V N -0.300 119.600 119.914 -0.022 0.000 2.769 146 V HA 0.297 4.416 4.120 -0.003 0.000 0.312 146 V C 0.161 176.247 176.094 -0.013 0.000 1.061 146 V CA -0.742 61.546 62.300 -0.020 0.000 0.931 146 V CB 1.826 33.635 31.823 -0.023 0.000 1.010 146 V HN 0.064 nan 8.190 nan 0.000 0.433 147 D N 0.911 121.306 120.400 -0.008 0.000 2.290 147 D HA -0.015 4.623 4.640 -0.003 0.000 0.224 147 D C 0.916 177.214 176.300 -0.002 0.000 0.967 147 D CA 0.576 54.573 54.000 -0.005 0.000 0.893 147 D CB 0.060 40.859 40.800 -0.002 0.000 1.037 147 D HN 0.488 nan 8.370 nan 0.000 0.477 148 N N 2.253 120.954 118.700 0.001 0.000 2.399 148 N HA -0.098 4.640 4.740 -0.003 0.000 0.284 148 N C 0.940 176.454 175.510 0.006 0.000 1.283 148 N CA 0.226 53.280 53.050 0.006 0.000 0.972 148 N CB 1.112 39.605 38.487 0.010 0.000 1.328 148 N HN -0.016 nan 8.380 nan 0.000 0.486 149 Q N 2.713 122.517 119.800 0.006 0.000 2.291 149 Q HA -0.096 4.242 4.340 -0.003 0.000 0.205 149 Q C 0.357 176.370 176.000 0.022 0.000 0.970 149 Q CA 1.647 57.454 55.803 0.007 0.000 0.876 149 Q CB 0.197 28.939 28.738 0.005 0.000 0.935 149 Q HN 0.540 nan 8.270 nan 0.000 0.455 150 D N -0.706 119.707 120.400 0.022 0.000 2.183 150 D HA -0.077 4.562 4.640 -0.003 0.000 0.203 150 D C 1.363 177.683 176.300 0.034 0.000 0.969 150 D CA 0.835 54.851 54.000 0.028 0.000 0.842 150 D CB 0.064 40.876 40.800 0.020 0.000 0.957 150 D HN 0.277 nan 8.370 nan 0.000 0.484 151 L N 0.165 121.406 121.223 0.030 0.000 2.240 151 L HA 0.010 4.348 4.340 -0.003 0.000 0.211 151 L C 2.061 178.962 176.870 0.052 0.000 1.106 151 L CA 0.500 55.361 54.840 0.036 0.000 0.793 151 L CB -0.126 41.952 42.059 0.031 0.000 0.927 151 L HN 0.113 nan 8.230 nan 0.000 0.446 152 I N -0.271 120.329 120.570 0.051 0.000 2.233 152 I HA -0.245 3.923 4.170 -0.003 0.000 0.243 152 I C 2.002 178.225 176.117 0.177 0.000 1.093 152 I CA 1.115 62.458 61.300 0.071 0.000 1.380 152 I CB -0.314 37.684 38.000 -0.003 0.000 1.067 152 I HN 0.229 nan 8.210 nan 0.000 0.413 153 D N 1.103 121.597 120.400 0.156 0.000 2.218 153 D HA -0.126 4.513 4.640 -0.003 0.000 0.204 153 D C 2.142 178.513 176.300 0.119 0.000 0.976 153 D CA 1.437 55.564 54.000 0.212 0.000 0.853 153 D CB -0.374 40.504 40.800 0.130 0.000 0.939 153 D HN 0.416 nan 8.370 nan 0.000 0.481 154 G N 0.826 109.673 108.800 0.079 0.000 2.470 154 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.220 154 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.220 154 G C 1.788 176.705 174.900 0.028 0.000 1.121 154 G CA 0.131 45.253 45.100 0.037 0.000 0.766 154 G HN 0.256 nan 8.290 nan 0.000 0.553 155 L N -0.664 120.602 121.223 0.072 0.000 2.046 155 L HA -0.022 4.316 4.340 -0.003 0.000 0.208 155 L C 2.658 179.480 176.870 -0.080 0.000 1.077 155 L CA 0.483 55.352 54.840 0.048 0.000 0.747 155 L CB -0.345 41.806 42.059 0.153 0.000 0.896 155 L HN 0.227 nan 8.230 nan 0.000 0.432 156 L N -0.256 120.854 121.223 -0.188 0.000 2.072 156 L HA -0.155 4.183 4.340 -0.003 0.000 0.205 156 L C 2.030 178.758 176.870 -0.236 0.000 1.079 156 L CA 1.749 56.361 54.840 -0.380 0.000 0.752 156 L CB -0.619 41.044 42.059 -0.659 0.000 0.906 156 L HN 0.159 nan 8.230 nan 0.000 0.436 157 D N -0.760 119.557 120.400 -0.139 0.000 2.104 157 D HA -0.194 4.444 4.640 -0.003 0.000 0.194 157 D C 2.154 178.394 176.300 -0.101 0.000 0.994 157 D CA 1.077 55.018 54.000 -0.097 0.000 0.830 157 D CB -0.088 40.684 40.800 -0.046 0.000 0.959 157 D HN 0.370 nan 8.370 nan 0.000 0.452 158 Q N 0.264 120.021 119.800 -0.072 0.000 2.167 158 Q HA -0.024 4.315 4.340 -0.003 0.000 0.202 158 Q C 2.295 178.184 176.000 -0.185 0.000 0.970 158 Q CA 0.595 56.378 55.803 -0.033 0.000 0.855 158 Q CB -0.225 28.564 28.738 0.086 0.000 0.911 158 Q HN 0.169 nan 8.270 nan 0.000 0.438 159 S N 0.605 116.155 115.700 -0.249 0.000 2.368 159 S HA -0.144 4.324 4.470 -0.003 0.000 0.225 159 S C 1.894 176.213 174.600 -0.469 0.000 1.030 159 S CA 1.184 59.151 58.200 -0.388 0.000 0.999 159 S CB -0.111 62.871 63.200 -0.363 0.000 0.844 159 S HN 0.325 nan 8.310 nan 0.000 0.459 160 R N 1.460 121.736 120.500 -0.373 0.000 2.075 160 R HA -0.022 4.316 4.340 -0.003 0.000 0.232 160 R C 1.816 177.963 176.300 -0.255 0.000 1.126 160 R CA 1.340 57.222 56.100 -0.363 0.000 0.963 160 R CB -0.183 29.997 30.300 -0.201 0.000 0.858 160 R HN 0.286 nan 8.270 nan 0.000 0.435 161 N N 0.881 119.472 118.700 -0.181 0.000 2.120 161 N HA -0.186 4.553 4.740 -0.003 0.000 0.188 161 N C 1.660 177.066 175.510 -0.173 0.000 1.024 161 N CA 0.972 53.960 53.050 -0.104 0.000 0.852 161 N CB -0.329 38.140 38.487 -0.029 0.000 1.003 161 N HN 0.178 nan 8.380 nan 0.000 0.424 162 L N 1.222 122.216 121.223 -0.383 0.000 2.017 162 L HA -0.003 4.336 4.340 -0.003 0.000 0.208 162 L C 2.118 178.763 176.870 -0.375 0.000 1.073 162 L CA 1.616 56.110 54.840 -0.577 0.000 0.745 162 L CB -1.049 40.378 42.059 -1.053 0.000 0.894 162 L HN 0.125 nan 8.230 nan 0.000 0.432 163 A N -0.864 121.666 122.820 -0.483 0.000 1.933 163 A HA -0.218 4.100 4.320 -0.003 0.000 0.218 163 A C 1.982 179.567 177.584 0.002 0.000 1.175 163 A CA 1.840 53.574 52.037 -0.505 0.000 0.628 163 A CB -0.867 17.470 19.000 -1.106 0.000 0.814 163 A HN 0.542 nan 8.150 nan 0.000 0.444 164 D N -0.730 119.687 120.400 0.028 0.000 2.178 164 D HA -0.105 4.533 4.640 -0.003 0.000 0.201 164 D C 1.858 178.284 176.300 0.211 0.000 0.980 164 D CA 1.360 55.469 54.000 0.181 0.000 0.842 164 D CB -0.276 40.601 40.800 0.129 0.000 0.948 164 D HN 0.261 nan 8.370 nan 0.000 0.472 165 V N -0.039 119.970 119.914 0.158 0.000 2.951 165 V HA -0.030 4.088 4.120 -0.003 0.000 0.255 165 V C 1.776 178.095 176.094 0.376 0.000 1.088 165 V CA 0.870 63.322 62.300 0.253 0.000 1.109 165 V CB -0.004 31.921 31.823 0.170 0.000 0.724 165 V HN 0.111 nan 8.190 nan 0.000 0.471 166 L N 0.185 121.562 121.223 0.258 0.000 2.463 166 L HA 0.107 4.445 4.340 -0.003 0.000 0.219 166 L C 2.466 179.400 176.870 0.106 0.000 1.088 166 L CA 0.838 55.769 54.840 0.152 0.000 0.849 166 L CB -0.419 41.785 42.059 0.243 0.000 1.012 166 L HN 0.336 nan 8.230 nan 0.000 0.468 167 K N 1.274 121.927 120.400 0.422 0.000 2.281 167 K HA -0.209 4.110 4.320 -0.003 0.000 0.203 167 K C 1.887 178.663 176.600 0.293 0.000 1.046 167 K CA 1.730 58.315 56.287 0.496 0.000 0.938 167 K CB -0.710 32.117 32.500 0.546 0.000 0.737 167 K HN 0.399 nan 8.250 nan 0.000 0.458 168 F N 0.781 120.854 119.950 0.205 0.000 2.451 168 F HA 0.180 4.705 4.527 -0.003 0.000 0.299 168 F C 2.159 178.027 175.800 0.114 0.000 1.101 168 F CA 0.259 58.319 58.000 0.099 0.000 1.436 168 F CB -0.516 38.459 39.000 -0.042 0.000 1.074 168 F HN 0.013 nan 8.300 nan 0.000 0.553 169 A N 0.768 123.229 122.820 -0.599 0.000 1.978 169 A HA -0.113 4.206 4.320 -0.003 0.000 0.220 169 A C 1.829 179.277 177.584 -0.227 0.000 1.170 169 A CA 1.435 53.188 52.037 -0.473 0.000 0.636 169 A CB -1.546 17.053 19.000 -0.668 0.000 0.810 169 A HN 0.483 nan 8.150 nan 0.000 0.448 170 F N -0.186 119.698 119.950 -0.110 0.000 2.748 170 F HA 0.044 4.569 4.527 -0.002 0.000 0.299 170 F C 0.773 176.567 175.800 -0.010 0.000 1.154 170 F CA 0.313 58.259 58.000 -0.090 0.000 1.446 170 F CB 0.099 39.017 39.000 -0.136 0.000 1.112 170 F HN 0.073 nan 8.300 nan 0.000 0.584 171 D N 1.401 121.929 120.400 0.213 0.000 2.688 171 D HA 0.046 4.684 4.640 -0.003 0.000 0.228 171 D C 0.411 176.809 176.300 0.163 0.000 1.116 171 D CA 0.212 54.319 54.000 0.177 0.000 1.023 171 D CB -0.256 40.654 40.800 0.182 0.000 1.100 171 D HN 0.174 nan 8.370 nan 0.000 0.487 172 T N -1.702 112.917 114.554 0.109 0.000 2.883 172 T HA 0.516 4.865 4.350 -0.003 0.000 0.284 172 T C -1.620 173.096 174.700 0.027 0.000 1.041 172 T CA -1.488 60.649 62.100 0.061 0.000 1.007 172 T CB 1.421 70.233 68.868 -0.093 0.000 1.220 172 T HN -0.235 nan 8.240 nan 0.000 0.552 173 P HA -0.079 nan 4.420 nan 0.000 0.215 173 P C 1.770 179.065 177.300 -0.008 0.000 1.153 173 P CA 1.551 64.647 63.100 -0.006 0.000 0.853 173 P CB -0.000 31.683 31.700 -0.027 0.000 0.788 174 S N -2.904 112.756 115.700 -0.067 0.000 2.456 174 S HA 0.280 4.749 4.470 -0.003 0.000 0.224 174 S C 1.747 176.412 174.600 0.107 0.000 1.035 174 S CA 0.874 59.037 58.200 -0.062 0.000 0.940 174 S CB -0.423 62.526 63.200 -0.418 0.000 0.799 174 S HN 0.277 nan 8.310 nan 0.000 0.508 175 G N 0.265 109.096 108.800 0.051 0.000 2.255 175 G HA2 -0.171 3.788 3.960 -0.003 0.000 0.196 175 G HA3 -0.171 3.788 3.960 -0.003 0.000 0.196 175 G C -0.032 174.946 174.900 0.130 0.000 0.998 175 G CA -0.172 45.016 45.100 0.147 0.000 0.656 175 G HN 0.619 nan 8.290 nan 0.000 0.490 176 V N 4.523 124.409 119.914 -0.046 0.000 2.470 176 V HA 0.375 4.493 4.120 -0.003 0.000 0.276 176 V C -0.830 175.117 176.094 -0.245 0.000 1.040 176 V CA -0.691 61.519 62.300 -0.150 0.000 1.008 176 V CB 1.105 32.736 31.823 -0.321 0.000 0.990 176 V HN 0.324 nan 8.190 nan 0.000 0.477 177 P HA 0.176 nan 4.420 nan 0.000 0.276 177 P C -1.175 175.882 177.300 -0.405 0.000 1.261 177 P CA -0.438 62.402 63.100 -0.433 0.000 0.800 177 P CB 0.759 31.942 31.700 -0.861 0.000 1.066 178 Y N 0.203 120.348 120.300 -0.258 0.000 2.313 178 Y HA 0.148 4.697 4.550 -0.002 0.000 0.332 178 Y C 1.948 177.728 175.900 -0.200 0.000 1.071 178 Y CA 0.178 58.175 58.100 -0.171 0.000 1.169 178 Y CB 0.673 39.076 38.460 -0.096 0.000 1.192 178 Y HN 0.366 nan 8.280 nan 0.000 0.487 179 N N 2.028 120.723 118.700 -0.008 0.000 2.290 179 N HA -0.084 4.654 4.740 -0.003 0.000 0.179 179 N C -0.722 174.807 175.510 0.031 0.000 1.016 179 N CA 0.684 53.717 53.050 -0.028 0.000 0.871 179 N CB 0.116 38.583 38.487 -0.032 0.000 0.987 179 N HN 0.655 nan 8.380 nan 0.000 0.431 180 N N 0.634 119.372 118.700 0.063 0.000 2.485 180 N HA 0.309 5.048 4.740 -0.003 0.000 0.243 180 N C -0.857 174.697 175.510 0.074 0.000 0.987 180 N CA -0.438 52.655 53.050 0.071 0.000 0.940 180 N CB 1.243 39.767 38.487 0.062 0.000 1.122 180 N HN 0.270 nan 8.380 nan 0.000 0.509 181 I N -1.538 119.089 120.570 0.094 0.000 3.067 181 I HA 0.586 4.755 4.170 -0.003 0.000 0.312 181 I C -0.772 175.467 176.117 0.202 0.000 1.073 181 I CA -1.102 60.290 61.300 0.154 0.000 1.016 181 I CB 2.103 40.201 38.000 0.163 0.000 1.227 181 I HN 0.230 nan 8.210 nan 0.000 0.456 182 N N 3.132 121.982 118.700 0.251 0.000 2.518 182 N HA 0.351 5.089 4.740 -0.003 0.000 0.254 182 N C 0.434 176.099 175.510 0.258 0.000 0.979 182 N CA -0.706 52.451 53.050 0.179 0.000 0.930 182 N CB 1.401 39.930 38.487 0.070 0.000 1.152 182 N HN 0.873 nan 8.380 nan 0.000 0.505 183 I N 0.891 121.650 120.570 0.316 0.000 2.916 183 I HA -0.065 4.103 4.170 -0.003 0.000 0.267 183 I C 1.448 177.608 176.117 0.071 0.000 1.263 183 I CA 0.927 62.444 61.300 0.362 0.000 1.471 183 I CB -0.373 37.880 38.000 0.422 0.000 1.089 183 I HN 0.381 nan 8.210 nan 0.000 0.468 184 T N -0.987 113.553 114.554 -0.024 0.000 2.901 184 T HA -0.006 4.343 4.350 -0.003 0.000 0.252 184 T C 1.918 176.402 174.700 -0.360 0.000 1.035 184 T CA 0.982 62.997 62.100 -0.142 0.000 1.142 184 T CB -0.592 68.236 68.868 -0.066 0.000 0.869 184 T HN 0.511 nan 8.240 nan 0.000 0.442 185 S N 0.263 115.793 115.700 -0.282 0.000 2.524 185 S HA 0.113 4.582 4.470 -0.003 0.000 0.216 185 S C 0.719 175.093 174.600 -0.376 0.000 0.987 185 S CA 0.496 58.505 58.200 -0.319 0.000 0.909 185 S CB -0.835 62.277 63.200 -0.147 0.000 0.781 185 S HN 0.816 nan 8.310 nan 0.000 0.521 186 H N -0.537 118.328 119.070 -0.342 0.000 3.237 186 H HA -0.121 4.434 4.556 -0.002 0.000 0.231 186 H C 0.838 176.048 175.328 -0.195 0.000 1.148 186 H CA -0.040 55.609 56.048 -0.665 0.000 1.155 186 H CB -1.730 27.654 29.762 -0.631 0.000 1.210 186 H HN 0.632 nan 8.280 nan 0.000 0.317 187 G N 0.326 109.125 108.800 -0.000 0.000 2.621 187 G HA2 0.420 4.379 3.960 -0.003 0.000 0.271 187 G HA3 0.420 4.379 3.960 -0.003 0.000 0.271 187 G C 0.296 175.200 174.900 0.006 0.000 1.236 187 G CA 0.183 45.276 45.100 -0.011 0.000 0.958 187 G HN 0.483 nan 8.290 nan 0.000 0.512 188 N N -2.763 115.872 118.700 -0.109 0.000 3.316 188 N HA 0.215 4.953 4.740 -0.003 0.000 0.300 188 N C 0.202 175.647 175.510 -0.109 0.000 1.567 188 N CA -0.493 52.462 53.050 -0.159 0.000 0.821 188 N CB 0.745 38.905 38.487 -0.544 0.000 1.748 188 N HN 0.229 nan 8.380 nan 0.000 0.603 189 D N -1.758 118.604 120.400 -0.063 0.000 2.178 189 D HA 0.085 4.723 4.640 -0.003 0.000 0.201 189 D C 1.231 177.532 176.300 0.000 0.000 0.980 189 D CA 2.344 56.344 54.000 0.001 0.000 0.842 189 D CB -0.490 40.343 40.800 0.055 0.000 0.948 189 D HN 0.918 nan 8.370 nan 0.000 0.472 190 G N -0.988 107.803 108.800 -0.015 0.000 2.176 190 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.253 190 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.253 190 G C 0.499 175.454 174.900 0.092 0.000 0.979 190 G CA 0.501 45.613 45.100 0.021 0.000 0.641 190 G HN 0.673 nan 8.290 nan 0.000 0.530 191 A N 0.195 123.099 122.820 0.139 0.000 2.483 191 A HA 0.609 4.927 4.320 -0.003 0.000 0.238 191 A C 1.632 179.280 177.584 0.108 0.000 1.070 191 A CA 1.686 53.789 52.037 0.110 0.000 0.770 191 A CB 0.277 19.334 19.000 0.096 0.000 1.008 191 A HN 1.501 nan 8.150 nan 0.000 0.497 192 T N -1.639 112.923 114.554 0.013 0.000 3.015 192 T HA 0.248 4.597 4.350 -0.003 0.000 0.250 192 T C 0.702 175.333 174.700 -0.114 0.000 1.057 192 T CA 0.876 62.954 62.100 -0.036 0.000 1.066 192 T CB -0.435 68.413 68.868 -0.033 0.000 0.959 192 T HN 1.136 nan 8.240 nan 0.000 0.488 193 T N 0.069 114.554 114.554 -0.115 0.000 2.916 193 T HA 0.696 5.044 4.350 -0.003 0.000 0.292 193 T C -1.321 173.271 174.700 -0.179 0.000 1.064 193 T CA -0.929 61.069 62.100 -0.169 0.000 1.011 193 T CB 2.078 70.860 68.868 -0.143 0.000 1.152 193 T HN 0.083 nan 8.240 nan 0.000 0.510 194 N N -0.609 117.952 118.700 -0.232 0.000 2.238 194 N HA 0.624 5.362 4.740 -0.003 0.000 0.302 194 N C 0.204 175.573 175.510 -0.234 0.000 1.072 194 N CA -0.222 52.693 53.050 -0.225 0.000 0.792 194 N CB 1.869 40.196 38.487 -0.266 0.000 1.425 194 N HN 1.080 nan 8.380 nan 0.000 0.478 195 G N 1.621 110.297 108.800 -0.208 0.000 2.614 195 G HA2 0.070 4.028 3.960 -0.003 0.000 0.239 195 G HA3 0.070 4.028 3.960 -0.003 0.000 0.239 195 G C 1.125 175.872 174.900 -0.254 0.000 1.240 195 G CA -0.409 44.563 45.100 -0.212 0.000 0.842 195 G HN 0.644 nan 8.290 nan 0.000 0.584 196 L N 1.388 122.469 121.223 -0.237 0.000 1.976 196 L HA -0.125 4.214 4.340 -0.003 0.000 0.209 196 L C 3.060 179.777 176.870 -0.255 0.000 1.071 196 L CA 2.164 56.833 54.840 -0.284 0.000 0.746 196 L CB -0.525 41.394 42.059 -0.233 0.000 0.890 196 L HN 0.638 nan 8.230 nan 0.000 0.432 197 A N -0.394 122.287 122.820 -0.231 0.000 1.898 197 A HA -0.175 4.144 4.320 -0.003 0.000 0.216 197 A C 2.137 179.504 177.584 -0.362 0.000 1.181 197 A CA 1.897 53.783 52.037 -0.250 0.000 0.620 197 A CB -0.995 17.824 19.000 -0.301 0.000 0.819 197 A HN 0.480 nan 8.150 nan 0.000 0.442 198 V N -2.890 116.727 119.914 -0.496 0.000 2.720 198 V HA -0.136 3.982 4.120 -0.003 0.000 0.256 198 V C 1.980 177.970 176.094 -0.174 0.000 1.082 198 V CA 2.577 64.596 62.300 -0.467 0.000 1.101 198 V CB -1.490 30.085 31.823 -0.413 0.000 0.693 198 V HN 0.410 nan 8.190 nan 0.000 0.479 199 T N 0.927 115.372 114.554 -0.181 0.000 2.976 199 T HA 0.199 4.548 4.350 -0.003 0.000 0.257 199 T C 1.643 176.330 174.700 -0.022 0.000 1.051 199 T CA 1.154 63.179 62.100 -0.124 0.000 1.141 199 T CB -0.164 68.589 68.868 -0.191 0.000 0.881 199 T HN 0.655 nan 8.240 nan 0.000 0.461 200 G N 0.892 109.691 108.800 -0.002 0.000 3.284 200 G HA2 0.157 4.116 3.960 -0.003 0.000 0.236 200 G HA3 0.157 4.116 3.960 -0.003 0.000 0.236 200 G C 0.505 175.466 174.900 0.101 0.000 1.158 200 G CA 0.008 45.208 45.100 0.167 0.000 0.774 200 G HN 0.411 nan 8.290 nan 0.000 0.545 201 T N 0.980 115.541 114.554 0.012 0.000 3.374 201 T HA 0.367 4.716 4.350 -0.003 0.000 0.267 201 T C 1.105 175.860 174.700 0.091 0.000 0.996 201 T CA -0.252 61.722 62.100 -0.210 0.000 0.977 201 T CB 0.142 68.912 68.868 -0.163 0.000 1.149 201 T HN 0.143 nan 8.240 nan 0.000 0.517 202 L N -0.969 120.398 121.223 0.241 0.000 2.854 202 L HA 0.309 4.647 4.340 -0.003 0.000 0.249 202 L C 2.298 179.395 176.870 0.379 0.000 1.091 202 L CA 0.037 55.068 54.840 0.319 0.000 0.935 202 L CB -0.220 41.923 42.059 0.140 0.000 1.367 202 L HN 0.199 nan 8.230 nan 0.000 0.524 203 V N 1.015 121.113 119.914 0.306 0.000 2.453 203 V HA -0.285 3.833 4.120 -0.003 0.000 0.252 203 V C 2.264 178.402 176.094 0.073 0.000 1.068 203 V CA 1.974 64.398 62.300 0.207 0.000 1.070 203 V CB 0.035 31.974 31.823 0.194 0.000 0.664 203 V HN 0.375 nan 8.190 nan 0.000 0.461 204 L N 0.337 121.590 121.223 0.050 0.000 2.005 204 L HA -0.117 4.222 4.340 -0.003 0.000 0.207 204 L C 2.816 179.578 176.870 -0.180 0.000 1.072 204 L CA 2.411 57.086 54.840 -0.276 0.000 0.744 204 L CB -0.504 41.239 42.059 -0.526 0.000 0.895 204 L HN 0.540 nan 8.230 nan 0.000 0.433 205 E N -1.122 119.114 120.200 0.060 0.000 2.158 205 E HA -0.225 4.124 4.350 -0.003 0.000 0.191 205 E C 1.929 178.522 176.600 -0.012 0.000 0.982 205 E CA 0.935 57.343 56.400 0.015 0.000 0.823 205 E CB -0.722 29.017 29.700 0.065 0.000 0.766 205 E HN 0.539 nan 8.360 nan 0.000 0.468 206 W N 2.174 123.458 121.300 -0.026 0.000 2.436 206 W HA 0.038 4.697 4.660 -0.003 0.000 0.284 206 W C 2.286 178.806 176.519 0.001 0.000 1.225 206 W CA 1.572 58.912 57.345 -0.008 0.000 1.271 206 W CB -0.441 29.051 29.460 0.053 0.000 1.114 206 W HN 0.015 nan 8.180 nan 0.000 0.559 207 T N -0.328 114.316 114.554 0.150 0.000 2.896 207 T HA -0.144 4.205 4.350 -0.003 0.000 0.263 207 T C 1.806 176.521 174.700 0.025 0.000 1.050 207 T CA 1.291 63.445 62.100 0.090 0.000 1.140 207 T CB -0.126 68.750 68.868 0.015 0.000 0.877 207 T HN -0.114 nan 8.240 nan 0.000 0.457 208 R N 1.191 121.624 120.500 -0.111 0.000 2.096 208 R HA 0.047 4.386 4.340 -0.003 0.000 0.235 208 R C 2.102 178.381 176.300 -0.035 0.000 1.127 208 R CA 1.004 57.063 56.100 -0.068 0.000 0.968 208 R CB -1.012 29.205 30.300 -0.139 0.000 0.861 208 R HN 0.311 nan 8.270 nan 0.000 0.440 209 L N -0.038 121.120 121.223 -0.108 0.000 2.093 209 L HA -0.034 4.305 4.340 -0.003 0.000 0.208 209 L C 1.918 178.778 176.870 -0.017 0.000 1.085 209 L CA 1.844 56.570 54.840 -0.190 0.000 0.755 209 L CB -0.714 41.058 42.059 -0.478 0.000 0.904 209 L HN 0.149 nan 8.230 nan 0.000 0.435 210 S N -0.336 115.439 115.700 0.126 0.000 2.355 210 S HA -0.166 4.303 4.470 -0.003 0.000 0.222 210 S C 1.542 176.210 174.600 0.114 0.000 1.031 210 S CA 1.352 59.669 58.200 0.195 0.000 0.993 210 S CB -0.413 62.904 63.200 0.195 0.000 0.859 210 S HN 0.537 nan 8.310 nan 0.000 0.453 211 D N 1.206 121.673 120.400 0.113 0.000 2.218 211 D HA -0.022 4.616 4.640 -0.003 0.000 0.204 211 D C 1.656 177.995 176.300 0.065 0.000 0.976 211 D CA 0.725 54.788 54.000 0.106 0.000 0.853 211 D CB -0.154 40.751 40.800 0.174 0.000 0.939 211 D HN 0.342 nan 8.370 nan 0.000 0.481 212 L N 0.138 121.381 121.223 0.035 0.000 2.354 212 L HA -0.004 4.335 4.340 -0.003 0.000 0.212 212 L C 2.322 179.178 176.870 -0.024 0.000 1.091 212 L CA 1.088 55.925 54.840 -0.005 0.000 0.828 212 L CB -0.115 41.895 42.059 -0.083 0.000 0.973 212 L HN 0.082 nan 8.230 nan 0.000 0.461 213 T N -4.685 109.866 114.554 -0.005 0.000 3.037 213 T HA 0.197 4.545 4.350 -0.003 0.000 0.252 213 T C 1.543 176.264 174.700 0.035 0.000 1.073 213 T CA 0.633 62.739 62.100 0.011 0.000 1.091 213 T CB 0.669 69.569 68.868 0.053 0.000 0.935 213 T HN 0.365 nan 8.240 nan 0.000 0.488 214 G N 1.482 110.309 108.800 0.045 0.000 2.176 214 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.253 214 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.253 214 G C -0.199 174.718 174.900 0.030 0.000 0.979 214 G CA 0.116 45.236 45.100 0.034 0.000 0.641 214 G HN 0.739 nan 8.290 nan 0.000 0.530 215 D N 0.796 121.227 120.400 0.050 0.000 2.396 215 D HA 0.430 5.068 4.640 -0.003 0.000 0.225 215 D C 1.448 177.733 176.300 -0.025 0.000 1.121 215 D CA -0.566 53.432 54.000 -0.003 0.000 0.853 215 D CB 0.564 41.363 40.800 -0.002 0.000 1.043 215 D HN 0.217 nan 8.370 nan 0.000 0.500 216 E N 2.729 122.901 120.200 -0.046 0.000 2.338 216 E HA -0.172 4.176 4.350 -0.003 0.000 0.197 216 E C 1.320 177.867 176.600 -0.089 0.000 1.007 216 E CA 0.274 56.655 56.400 -0.032 0.000 0.849 216 E CB 0.239 29.925 29.700 -0.023 0.000 0.774 216 E HN 0.744 nan 8.360 nan 0.000 0.506 217 E N 0.406 120.467 120.200 -0.230 0.000 2.070 217 E HA -0.239 4.110 4.350 -0.003 0.000 0.197 217 E C 1.490 177.949 176.600 -0.235 0.000 1.004 217 E CA 1.285 57.506 56.400 -0.299 0.000 0.805 217 E CB -0.117 29.305 29.700 -0.463 0.000 0.744 217 E HN 0.261 nan 8.360 nan 0.000 0.451 218 Y N 0.214 120.565 120.300 0.084 0.000 2.181 218 Y HA -0.119 4.429 4.550 -0.003 0.000 0.288 218 Y C 2.441 178.437 175.900 0.159 0.000 1.146 218 Y CA 1.057 59.280 58.100 0.206 0.000 1.164 218 Y CB -0.960 37.585 38.460 0.142 0.000 0.982 218 Y HN 0.178 nan 8.280 nan 0.000 0.515 219 A N 0.259 123.212 122.820 0.222 0.000 1.930 219 A HA -0.153 4.166 4.320 -0.003 0.000 0.217 219 A C 2.209 179.834 177.584 0.068 0.000 1.175 219 A CA 1.446 53.581 52.037 0.162 0.000 0.627 219 A CB -0.452 18.644 19.000 0.159 0.000 0.815 219 A HN 0.395 nan 8.150 nan 0.000 0.443 220 K N -0.222 120.183 120.400 0.008 0.000 2.026 220 K HA -0.061 4.258 4.320 -0.003 0.000 0.208 220 K C 1.896 178.427 176.600 -0.114 0.000 1.048 220 K CA 1.376 57.642 56.287 -0.035 0.000 0.929 220 K CB -0.458 32.012 32.500 -0.050 0.000 0.713 220 K HN 0.458 nan 8.250 nan 0.000 0.439 221 L N 1.188 122.270 121.223 -0.236 0.000 1.970 221 L HA -0.237 4.101 4.340 -0.003 0.000 0.212 221 L C 2.824 179.296 176.870 -0.663 0.000 1.071 221 L CA 1.806 56.321 54.840 -0.542 0.000 0.751 221 L CB -0.875 40.634 42.059 -0.917 0.000 0.889 221 L HN 0.289 nan 8.230 nan 0.000 0.432 222 S N -0.648 114.684 115.700 -0.614 0.000 2.368 222 S HA -0.249 4.219 4.470 -0.003 0.000 0.225 222 S C 1.869 176.450 174.600 -0.031 0.000 1.030 222 S CA 1.115 59.123 58.200 -0.320 0.000 0.999 222 S CB -0.531 62.592 63.200 -0.128 0.000 0.844 222 S HN 0.469 nan 8.310 nan 0.000 0.459 223 Q N 0.944 120.760 119.800 0.027 0.000 2.224 223 Q HA 0.009 4.348 4.340 -0.003 0.000 0.203 223 Q C 2.252 178.297 176.000 0.076 0.000 0.970 223 Q CA 1.169 57.053 55.803 0.135 0.000 0.865 223 Q CB -0.195 28.661 28.738 0.196 0.000 0.922 223 Q HN 0.675 nan 8.270 nan 0.000 0.445 224 K N 0.702 121.106 120.400 0.006 0.000 2.062 224 K HA -0.092 4.227 4.320 -0.003 0.000 0.205 224 K C 2.051 178.671 176.600 0.034 0.000 1.051 224 K CA 0.989 57.264 56.287 -0.018 0.000 0.941 224 K CB -0.074 32.417 32.500 -0.014 0.000 0.719 224 K HN 0.146 nan 8.250 nan 0.000 0.440 225 A N 1.098 123.984 122.820 0.110 0.000 1.902 225 A HA -0.210 4.108 4.320 -0.003 0.000 0.217 225 A C 1.963 179.651 177.584 0.174 0.000 1.181 225 A CA 1.948 54.110 52.037 0.207 0.000 0.623 225 A CB -0.565 18.570 19.000 0.226 0.000 0.818 225 A HN 0.501 nan 8.150 nan 0.000 0.443 226 E N 0.658 120.933 120.200 0.125 0.000 2.150 226 E HA -0.152 4.197 4.350 -0.003 0.000 0.193 226 E C 2.108 178.741 176.600 0.055 0.000 0.985 226 E CA 1.569 58.041 56.400 0.121 0.000 0.814 226 E CB -0.294 29.516 29.700 0.182 0.000 0.752 226 E HN 0.697 nan 8.360 nan 0.000 0.466 227 S N -0.606 115.082 115.700 -0.019 0.000 2.387 227 S HA -0.266 4.203 4.470 -0.003 0.000 0.230 227 S C 1.837 176.347 174.600 -0.150 0.000 1.035 227 S CA 1.401 59.523 58.200 -0.129 0.000 1.014 227 S CB -0.907 62.137 63.200 -0.261 0.000 0.836 227 S HN 0.435 nan 8.310 nan 0.000 0.466 228 Y N 1.948 122.253 120.300 0.009 0.000 2.421 228 Y HA 0.168 4.716 4.550 -0.002 0.000 0.292 228 Y C 2.183 178.130 175.900 0.078 0.000 1.136 228 Y CA 0.704 58.808 58.100 0.008 0.000 1.255 228 Y CB -0.479 37.933 38.460 -0.080 0.000 0.991 228 Y HN 0.261 nan 8.280 nan 0.000 0.552 229 L N -1.134 120.193 121.223 0.174 0.000 2.341 229 L HA -0.064 4.275 4.340 -0.003 0.000 0.214 229 L C 1.719 178.700 176.870 0.185 0.000 1.115 229 L CA 0.576 55.521 54.840 0.175 0.000 0.820 229 L CB -0.369 41.676 42.059 -0.024 0.000 0.944 229 L HN 0.221 nan 8.230 nan 0.000 0.452 230 L N -0.407 120.882 121.223 0.109 0.000 2.418 230 L HA -0.005 4.333 4.340 -0.003 0.000 0.218 230 L C 0.613 177.519 176.870 0.060 0.000 1.125 230 L CA 0.849 55.723 54.840 0.057 0.000 0.835 230 L CB -0.076 41.949 42.059 -0.056 0.000 0.953 230 L HN 0.145 nan 8.230 nan 0.000 0.454 231 K N 1.200 121.644 120.400 0.075 0.000 2.842 231 K HA 0.273 4.591 4.320 -0.003 0.000 0.176 231 K C -2.447 174.218 176.600 0.109 0.000 1.080 231 K CA -1.473 54.852 56.287 0.065 0.000 0.954 231 K CB 1.149 33.672 32.500 0.039 0.000 1.203 231 K HN -0.120 nan 8.250 nan 0.000 0.611 232 P HA -0.036 nan 4.420 nan 0.000 0.265 232 P C -0.848 176.486 177.300 0.057 0.000 1.193 232 P CA 0.198 63.335 63.100 0.062 0.000 0.765 232 P CB 0.907 32.432 31.700 -0.292 0.000 0.823 233 Q N 3.094 122.991 119.800 0.161 0.000 2.309 233 Q HA 0.415 4.754 4.340 -0.003 0.000 0.273 233 Q C -2.654 173.435 176.000 0.149 0.000 1.040 233 Q CA -2.097 53.772 55.803 0.109 0.000 0.834 233 Q CB 2.478 31.282 28.738 0.110 0.000 1.345 233 Q HN 0.325 nan 8.270 nan 0.000 0.414 234 P HA -0.027 nan 4.420 nan 0.000 0.273 234 P C 0.467 177.755 177.300 -0.019 0.000 1.250 234 P CA -0.108 63.005 63.100 0.022 0.000 0.793 234 P CB 0.641 32.347 31.700 0.010 0.000 1.011 235 S N -0.705 114.979 115.700 -0.026 0.000 2.442 235 S HA -0.151 4.318 4.470 -0.003 0.000 0.236 235 S C 1.654 176.209 174.600 -0.076 0.000 1.007 235 S CA 1.473 59.643 58.200 -0.050 0.000 0.965 235 S CB -1.556 61.624 63.200 -0.034 0.000 0.773 235 S HN 0.516 nan 8.310 nan 0.000 0.504 236 S N 0.873 116.534 115.700 -0.065 0.000 2.515 236 S HA 0.112 4.580 4.470 -0.003 0.000 0.231 236 S C 1.638 176.181 174.600 -0.097 0.000 0.987 236 S CA 0.690 58.844 58.200 -0.078 0.000 0.936 236 S CB -0.579 62.587 63.200 -0.056 0.000 0.766 236 S HN 0.434 nan 8.310 nan 0.000 0.528 237 S N 1.124 116.755 115.700 -0.114 0.000 2.562 237 S HA 0.128 4.596 4.470 -0.003 0.000 0.221 237 S C 0.609 175.044 174.600 -0.275 0.000 0.975 237 S CA 0.073 58.168 58.200 -0.175 0.000 0.918 237 S CB -0.108 62.980 63.200 -0.187 0.000 0.772 237 S HN 0.740 nan 8.310 nan 0.000 0.531 238 E N 1.282 121.353 120.200 -0.215 0.000 2.916 238 E HA 0.218 4.567 4.350 -0.003 0.000 0.217 238 E C -2.275 174.231 176.600 -0.157 0.000 1.100 238 E CA -2.109 54.184 56.400 -0.179 0.000 0.891 238 E CB 0.761 30.366 29.700 -0.158 0.000 1.311 238 E HN 0.039 nan 8.360 nan 0.000 0.421 239 P HA -0.107 nan 4.420 nan 0.000 0.216 239 P C -0.545 176.296 177.300 -0.765 0.000 1.153 239 P CA 1.355 64.174 63.100 -0.467 0.000 0.858 239 P CB 0.116 31.573 31.700 -0.405 0.000 0.789 240 F N -3.355 116.531 119.950 -0.107 0.000 2.588 240 F HA 0.432 4.958 4.527 -0.003 0.000 0.314 240 F C -2.353 173.436 175.800 -0.019 0.000 1.069 240 F CA -3.229 54.715 58.000 -0.093 0.000 0.931 240 F CB 0.773 39.697 39.000 -0.127 0.000 1.260 240 F HN -0.433 nan 8.300 nan 0.000 0.465 241 P HA 0.129 nan 4.420 nan 0.000 0.260 241 P C 0.700 178.079 177.300 0.131 0.000 1.185 241 P CA 1.453 64.626 63.100 0.121 0.000 0.763 241 P CB 0.300 32.064 31.700 0.106 0.000 0.776 242 G N 2.260 111.130 108.800 0.117 0.000 2.284 242 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.247 242 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.247 242 G C -0.252 174.804 174.900 0.260 0.000 1.012 242 G CA -0.415 44.780 45.100 0.158 0.000 0.618 242 G HN 0.466 nan 8.290 nan 0.000 0.521 243 L N 1.975 123.341 121.223 0.238 0.000 2.260 243 L HA 0.668 5.007 4.340 -0.003 0.000 0.289 243 L C 0.927 177.892 176.870 0.157 0.000 1.057 243 L CA -0.948 54.072 54.840 0.301 0.000 0.811 243 L CB 1.088 43.335 42.059 0.313 0.000 1.184 243 L HN 0.599 nan 8.230 nan 0.000 0.429 244 V N 0.703 120.690 119.914 0.123 0.000 3.177 244 V HA 0.990 5.109 4.120 -0.003 0.000 0.319 244 V C 0.649 176.664 176.094 -0.132 0.000 1.125 244 V CA -0.688 61.475 62.300 -0.228 0.000 1.029 244 V CB 1.018 32.512 31.823 -0.549 0.000 1.119 244 V HN 0.698 nan 8.190 nan 0.000 0.452 245 G N 0.158 108.779 108.800 -0.299 0.000 2.683 245 G HA2 0.382 4.341 3.960 -0.003 0.000 0.260 245 G HA3 0.382 4.341 3.960 -0.003 0.000 0.260 245 G C 0.586 175.615 174.900 0.215 0.000 1.238 245 G CA 0.185 45.325 45.100 0.067 0.000 0.934 245 G HN 0.963 nan 8.290 nan 0.000 0.534 246 S N -0.944 114.842 115.700 0.144 0.000 2.535 246 S HA 0.228 4.697 4.470 -0.003 0.000 0.214 246 S C 0.786 175.372 174.600 -0.023 0.000 0.980 246 S CA 0.378 58.612 58.200 0.057 0.000 0.907 246 S CB 0.060 63.281 63.200 0.036 0.000 0.790 246 S HN 0.924 nan 8.310 nan 0.000 0.510 247 S N 1.099 116.786 115.700 -0.022 0.000 2.564 247 S HA 0.742 5.210 4.470 -0.003 0.000 0.274 247 S C -1.206 173.213 174.600 -0.302 0.000 1.124 247 S CA -0.960 57.146 58.200 -0.157 0.000 0.869 247 S CB 1.530 64.664 63.200 -0.111 0.000 1.105 247 S HN 0.039 nan 8.310 nan 0.000 0.472 248 I N 1.511 121.834 120.570 -0.412 0.000 2.509 248 I HA 0.403 4.572 4.170 -0.003 0.000 0.293 248 I C -0.231 175.664 176.117 -0.370 0.000 1.020 248 I CA -0.927 60.049 61.300 -0.540 0.000 1.088 248 I CB 1.258 38.855 38.000 -0.671 0.000 1.267 248 I HN 0.788 nan 8.210 nan 0.000 0.430 249 N N 4.623 123.127 118.700 -0.327 0.000 2.475 249 N HA 0.267 5.006 4.740 -0.003 0.000 0.267 249 N C 1.248 176.564 175.510 -0.324 0.000 1.169 249 N CA -0.334 52.559 53.050 -0.261 0.000 0.947 249 N CB 1.731 40.099 38.487 -0.199 0.000 1.061 249 N HN 0.525 nan 8.380 nan 0.000 0.466 250 I N 1.866 122.249 120.570 -0.312 0.000 2.439 250 I HA -0.210 3.959 4.170 -0.003 0.000 0.251 250 I C 1.507 177.441 176.117 -0.305 0.000 1.139 250 I CA 0.834 61.908 61.300 -0.378 0.000 1.438 250 I CB -0.113 37.578 38.000 -0.515 0.000 1.085 250 I HN 0.545 nan 8.210 nan 0.000 0.427 251 N N 1.101 119.669 118.700 -0.221 0.000 2.142 251 N HA -0.174 4.564 4.740 -0.003 0.000 0.186 251 N C 1.070 176.481 175.510 -0.166 0.000 1.023 251 N CA 1.691 54.649 53.050 -0.153 0.000 0.852 251 N CB -0.065 38.364 38.487 -0.097 0.000 0.998 251 N HN 0.526 nan 8.380 nan 0.000 0.424 252 D N -3.431 116.842 120.400 -0.212 0.000 2.514 252 D HA 0.229 4.868 4.640 -0.003 0.000 0.225 252 D C 0.937 177.011 176.300 -0.376 0.000 1.159 252 D CA 0.403 54.278 54.000 -0.208 0.000 0.823 252 D CB -0.222 40.508 40.800 -0.116 0.000 1.097 252 D HN 0.095 nan 8.370 nan 0.000 0.519 253 G N 0.418 108.884 108.800 -0.556 0.000 2.143 253 G HA2 -0.295 3.664 3.960 -0.003 0.000 0.248 253 G HA3 -0.295 3.664 3.960 -0.003 0.000 0.248 253 G C -0.100 174.524 174.900 -0.460 0.000 0.991 253 G CA 0.231 44.790 45.100 -0.901 0.000 0.689 253 G HN 0.453 nan 8.290 nan 0.000 0.522 254 Q N -0.996 118.646 119.800 -0.263 0.000 2.226 254 Q HA 0.652 4.991 4.340 -0.003 0.000 0.256 254 Q C -0.105 175.816 176.000 -0.132 0.000 0.962 254 Q CA -0.882 54.877 55.803 -0.074 0.000 0.887 254 Q CB 1.107 29.839 28.738 -0.011 0.000 1.282 254 Q HN 0.179 nan 8.270 nan 0.000 0.449 255 F N 0.273 120.166 119.950 -0.095 0.000 2.459 255 F HA 0.130 4.656 4.527 -0.002 0.000 0.346 255 F C 1.002 176.749 175.800 -0.088 0.000 1.128 255 F CA 0.085 58.024 58.000 -0.102 0.000 1.268 255 F CB 0.665 39.611 39.000 -0.090 0.000 1.161 255 F HN 0.699 nan 8.300 nan 0.000 0.583 256 A N 1.335 124.178 122.820 0.038 0.000 2.348 256 A HA 0.193 4.512 4.320 -0.003 0.000 0.224 256 A C 0.054 177.651 177.584 0.021 0.000 1.227 256 A CA 0.303 52.341 52.037 0.001 0.000 0.885 256 A CB -0.553 18.415 19.000 -0.053 0.000 0.933 256 A HN 0.773 nan 8.150 nan 0.000 0.506 257 D N -2.445 117.994 120.400 0.065 0.000 2.665 257 D HA 0.218 4.856 4.640 -0.003 0.000 0.287 257 D C -0.404 175.922 176.300 0.044 0.000 1.266 257 D CA 0.314 54.334 54.000 0.035 0.000 0.830 257 D CB 0.702 41.511 40.800 0.016 0.000 1.356 257 D HN 0.083 nan 8.370 nan 0.000 0.437 258 S N -0.903 114.798 115.700 0.002 0.000 2.754 258 S HA 0.258 4.727 4.470 -0.003 0.000 0.247 258 S C 0.146 174.752 174.600 0.010 0.000 1.031 258 S CA -0.765 57.426 58.200 -0.014 0.000 1.014 258 S CB -0.189 62.984 63.200 -0.045 0.000 0.918 258 S HN 0.339 nan 8.310 nan 0.000 0.519 259 R N 1.310 121.825 120.500 0.023 0.000 2.296 259 R HA 0.458 4.797 4.340 -0.003 0.000 0.323 259 R C -0.909 175.458 176.300 0.112 0.000 1.067 259 R CA -0.196 55.928 56.100 0.040 0.000 0.946 259 R CB 0.810 31.123 30.300 0.022 0.000 0.991 259 R HN 0.179 nan 8.270 nan 0.000 0.448 260 V N 2.472 122.495 119.914 0.183 0.000 2.427 260 V HA 0.464 4.583 4.120 -0.003 0.000 0.286 260 V C 0.053 176.316 176.094 0.282 0.000 1.034 260 V CA -0.135 62.324 62.300 0.264 0.000 0.893 260 V CB 1.565 33.601 31.823 0.356 0.000 0.982 260 V HN 0.840 nan 8.190 nan 0.000 0.452 261 S N 2.889 118.781 115.700 0.320 0.000 2.595 261 S HA 0.479 4.947 4.470 -0.003 0.000 0.270 261 S C -1.516 173.350 174.600 0.443 0.000 1.145 261 S CA -0.455 57.957 58.200 0.355 0.000 0.825 261 S CB 1.139 64.482 63.200 0.238 0.000 1.107 261 S HN 0.597 nan 8.310 nan 0.000 0.461 262 W N 2.033 123.456 121.300 0.204 0.000 3.005 262 W HA 0.447 5.105 4.660 -0.003 0.000 0.374 262 W C 0.520 177.235 176.519 0.326 0.000 1.076 262 W CA -0.408 57.115 57.345 0.297 0.000 1.794 262 W CB -0.057 29.528 29.460 0.209 0.000 1.113 262 W HN 0.480 nan 8.180 nan 0.000 0.584 263 N N 0.117 119.043 118.700 0.376 0.000 2.294 263 N HA 0.215 4.953 4.740 -0.003 0.000 0.248 263 N C 0.740 176.357 175.510 0.178 0.000 1.300 263 N CA 0.361 53.557 53.050 0.242 0.000 0.925 263 N CB -0.070 38.498 38.487 0.135 0.000 1.188 263 N HN -0.040 nan 8.380 nan 0.000 0.512 264 G N -1.907 106.962 108.800 0.115 0.000 2.321 264 G HA2 0.335 4.294 3.960 -0.003 0.000 0.237 264 G HA3 0.335 4.294 3.960 -0.003 0.000 0.237 264 G C 0.997 175.907 174.900 0.016 0.000 1.282 264 G CA 0.369 45.503 45.100 0.058 0.000 0.886 264 G HN 0.802 nan 8.290 nan 0.000 0.528 265 G N 1.919 110.690 108.800 -0.048 0.000 2.254 265 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.225 265 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.225 265 G C 0.654 175.504 174.900 -0.082 0.000 1.003 265 G CA 0.869 45.912 45.100 -0.095 0.000 0.622 265 G HN 0.670 nan 8.290 nan 0.000 0.507 266 D N 0.388 120.789 120.400 0.002 0.000 2.932 266 D HA 0.186 4.825 4.640 -0.003 0.000 0.294 266 D C 1.954 178.308 176.300 0.090 0.000 1.119 266 D CA 0.818 54.854 54.000 0.061 0.000 0.980 266 D CB -0.155 40.756 40.800 0.185 0.000 1.361 266 D HN 0.323 nan 8.370 nan 0.000 0.466 267 D N 1.118 121.599 120.400 0.134 0.000 2.984 267 D HA -0.325 4.314 4.640 -0.003 0.000 0.266 267 D C 1.672 177.861 176.300 -0.184 0.000 1.083 267 D CA 2.259 56.298 54.000 0.065 0.000 0.985 267 D CB -1.113 39.620 40.800 -0.111 0.000 1.137 267 D HN 0.066 nan 8.370 nan 0.000 0.495 268 S N -0.754 114.768 115.700 -0.297 0.000 2.423 268 S HA -0.177 4.292 4.470 -0.003 0.000 0.238 268 S C 1.402 175.886 174.600 -0.194 0.000 1.028 268 S CA 1.217 59.241 58.200 -0.294 0.000 1.000 268 S CB -0.717 62.352 63.200 -0.218 0.000 0.797 268 S HN 0.419 nan 8.310 nan 0.000 0.487 269 F N 1.362 121.145 119.950 -0.280 0.000 2.075 269 F HA -0.167 4.359 4.527 -0.003 0.000 0.297 269 F C 1.775 177.426 175.800 -0.249 0.000 1.113 269 F CA 1.435 59.245 58.000 -0.316 0.000 1.218 269 F CB -0.922 37.785 39.000 -0.487 0.000 0.984 269 F HN 0.255 nan 8.300 nan 0.000 0.472 270 Y N 0.560 120.606 120.300 -0.424 0.000 2.224 270 Y HA -0.172 4.376 4.550 -0.003 0.000 0.289 270 Y C 2.680 178.571 175.900 -0.014 0.000 1.146 270 Y CA 1.580 59.420 58.100 -0.433 0.000 1.182 270 Y CB -0.886 37.145 38.460 -0.715 0.000 0.983 270 Y HN 0.249 nan 8.280 nan 0.000 0.524 271 E N -0.236 120.109 120.200 0.242 0.000 2.058 271 E HA -0.255 4.094 4.350 -0.003 0.000 0.194 271 E C 1.567 178.350 176.600 0.304 0.000 0.997 271 E CA 1.539 58.159 56.400 0.367 0.000 0.801 271 E CB -0.290 29.561 29.700 0.252 0.000 0.746 271 E HN 0.484 nan 8.360 nan 0.000 0.450 272 Y N 0.044 120.330 120.300 -0.024 0.000 2.439 272 Y HA -0.102 4.446 4.550 -0.002 0.000 0.292 272 Y C 2.027 177.913 175.900 -0.024 0.000 1.130 272 Y CA 0.256 58.343 58.100 -0.022 0.000 1.254 272 Y CB -0.284 38.179 38.460 0.004 0.000 1.000 272 Y HN 0.129 nan 8.280 nan 0.000 0.554 273 L N -0.453 120.803 121.223 0.055 0.000 1.971 273 L HA -0.242 4.097 4.340 -0.003 0.000 0.215 273 L C 2.378 179.296 176.870 0.081 0.000 1.072 273 L CA 1.601 56.492 54.840 0.084 0.000 0.758 273 L CB -1.247 40.836 42.059 0.039 0.000 0.889 273 L HN 0.194 nan 8.230 nan 0.000 0.433 274 I N -1.090 119.362 120.570 -0.197 0.000 2.353 274 I HA -0.209 3.959 4.170 -0.003 0.000 0.248 274 I C 2.340 178.376 176.117 -0.136 0.000 1.119 274 I CA 1.349 62.416 61.300 -0.388 0.000 1.417 274 I CB -0.333 36.927 38.000 -1.233 0.000 1.078 274 I HN 0.179 nan 8.210 nan 0.000 0.421 275 K N -0.453 119.878 120.400 -0.114 0.000 2.097 275 K HA -0.146 4.172 4.320 -0.003 0.000 0.206 275 K C 2.006 178.552 176.600 -0.090 0.000 1.049 275 K CA 1.361 57.598 56.287 -0.084 0.000 0.933 275 K CB -0.221 32.196 32.500 -0.140 0.000 0.717 275 K HN 0.264 nan 8.250 nan 0.000 0.442 276 M N -0.298 119.212 119.600 -0.150 0.000 2.159 276 M HA -0.180 4.299 4.480 -0.003 0.000 0.263 276 M C 2.063 178.330 176.300 -0.055 0.000 1.063 276 M CA 1.484 56.592 55.300 -0.320 0.000 1.110 276 M CB -0.837 31.356 32.600 -0.677 0.000 1.374 276 M HN 0.157 nan 8.290 nan 0.000 0.411 277 Y N 0.689 120.970 120.300 -0.032 0.000 2.242 277 Y HA -0.132 4.416 4.550 -0.003 0.000 0.291 277 Y C 2.151 178.084 175.900 0.054 0.000 1.137 277 Y CA 1.198 59.340 58.100 0.071 0.000 1.181 277 Y CB -0.265 38.227 38.460 0.053 0.000 0.989 277 Y HN -0.056 nan 8.280 nan 0.000 0.527 278 V N -0.420 119.492 119.914 -0.004 0.000 2.453 278 V HA -0.261 3.858 4.120 -0.003 0.000 0.247 278 V C 1.993 178.048 176.094 -0.065 0.000 1.048 278 V CA 1.916 64.172 62.300 -0.073 0.000 1.049 278 V CB -1.055 30.787 31.823 0.031 0.000 0.672 278 V HN 0.543 nan 8.190 nan 0.000 0.457 279 Y N 1.067 121.298 120.300 -0.115 0.000 2.145 279 Y HA -0.127 4.421 4.550 -0.002 0.000 0.286 279 Y C 1.160 177.029 175.900 -0.051 0.000 1.145 279 Y CA 1.945 59.986 58.100 -0.097 0.000 1.148 279 Y CB 0.382 38.756 38.460 -0.144 0.000 0.981 279 Y HN 0.315 nan 8.280 nan 0.000 0.507 280 D N -0.923 119.472 120.400 -0.009 0.000 2.351 280 D HA 0.137 4.775 4.640 -0.003 0.000 0.235 280 D C -2.348 173.929 176.300 -0.040 0.000 1.331 280 D CA -1.492 52.465 54.000 -0.071 0.000 0.959 280 D CB 1.319 42.142 40.800 0.038 0.000 1.432 280 D HN 0.027 nan 8.370 nan 0.000 0.544 281 P HA -0.164 nan 4.420 nan 0.000 0.219 281 P C 1.315 178.574 177.300 -0.069 0.000 1.146 281 P CA 0.684 63.539 63.100 -0.409 0.000 0.808 281 P CB 0.729 32.050 31.700 -0.633 0.000 0.779 282 K N 0.454 120.794 120.400 -0.099 0.000 2.007 282 K HA -0.089 4.230 4.320 -0.003 0.000 0.206 282 K C 2.420 178.943 176.600 -0.129 0.000 1.047 282 K CA 1.011 57.251 56.287 -0.079 0.000 0.937 282 K CB -0.127 32.313 32.500 -0.101 0.000 0.718 282 K HN -0.064 nan 8.250 nan 0.000 0.438 283 R N -0.836 119.498 120.500 -0.278 0.000 2.115 283 R HA -0.020 4.318 4.340 -0.003 0.000 0.226 283 R C 0.641 176.499 176.300 -0.737 0.000 1.100 283 R CA 0.958 56.699 56.100 -0.597 0.000 0.980 283 R CB 0.117 29.816 30.300 -1.000 0.000 0.875 283 R HN 0.145 nan 8.270 nan 0.000 0.445 284 F N -0.233 119.717 119.950 -0.001 0.000 2.928 284 F HA 0.211 4.737 4.527 -0.002 0.000 0.337 284 F C 1.389 177.344 175.800 0.258 0.000 1.259 284 F CA -0.480 57.520 58.000 0.001 0.000 1.267 284 F CB 0.397 39.202 39.000 -0.326 0.000 0.986 284 F HN -0.018 nan 8.300 nan 0.000 0.507 285 E N 0.355 120.764 120.200 0.347 0.000 2.153 285 E HA -0.163 4.186 4.350 -0.003 0.000 0.194 285 E C 1.666 178.439 176.600 0.288 0.000 0.988 285 E CA 1.794 58.408 56.400 0.357 0.000 0.811 285 E CB 0.169 30.010 29.700 0.234 0.000 0.746 285 E HN 0.332 nan 8.360 nan 0.000 0.466 286 T N 0.081 114.831 114.554 0.326 0.000 2.788 286 T HA -0.166 4.182 4.350 -0.003 0.000 0.268 286 T C 1.180 176.088 174.700 0.346 0.000 1.044 286 T CA 1.305 63.585 62.100 0.299 0.000 1.139 286 T CB -0.364 68.679 68.868 0.292 0.000 0.867 286 T HN 0.283 nan 8.240 nan 0.000 0.454 287 Y N 1.629 122.060 120.300 0.218 0.000 2.181 287 Y HA -0.046 4.503 4.550 -0.003 0.000 0.288 287 Y C 2.457 178.439 175.900 0.137 0.000 1.146 287 Y CA 0.580 58.789 58.100 0.181 0.000 1.164 287 Y CB -0.519 38.058 38.460 0.196 0.000 0.982 287 Y HN 0.143 nan 8.280 nan 0.000 0.515 288 K N 0.397 120.948 120.400 0.252 0.000 2.032 288 K HA -0.222 4.097 4.320 -0.003 0.000 0.209 288 K C 1.472 178.137 176.600 0.108 0.000 1.048 288 K CA 2.104 58.396 56.287 0.007 0.000 0.927 288 K CB -0.247 31.916 32.500 -0.560 0.000 0.712 288 K HN 0.198 nan 8.250 nan 0.000 0.441 289 D N 0.483 120.943 120.400 0.099 0.000 2.123 289 D HA -0.161 4.477 4.640 -0.003 0.000 0.196 289 D C 2.120 178.495 176.300 0.125 0.000 0.992 289 D CA 0.940 55.003 54.000 0.105 0.000 0.833 289 D CB -0.146 40.711 40.800 0.095 0.000 0.954 289 D HN 0.223 nan 8.370 nan 0.000 0.455 290 R N -0.352 120.228 120.500 0.133 0.000 2.096 290 R HA -0.132 4.207 4.340 -0.003 0.000 0.235 290 R C 2.194 178.578 176.300 0.139 0.000 1.127 290 R CA 0.637 56.808 56.100 0.118 0.000 0.968 290 R CB -0.745 29.605 30.300 0.084 0.000 0.861 290 R HN 0.365 nan 8.270 nan 0.000 0.440 291 W N 0.996 122.288 121.300 -0.014 0.000 2.409 291 W HA -0.139 4.519 4.660 -0.003 0.000 0.299 291 W C 1.903 178.379 176.519 -0.073 0.000 1.203 291 W CA 0.859 58.176 57.345 -0.047 0.000 1.298 291 W CB -0.190 29.222 29.460 -0.080 0.000 1.127 291 W HN -0.251 nan 8.180 nan 0.000 0.528 292 V N 0.876 120.876 119.914 0.143 0.000 2.332 292 V HA -0.327 3.791 4.120 -0.003 0.000 0.248 292 V C 2.277 178.318 176.094 -0.088 0.000 1.055 292 V CA 1.759 64.078 62.300 0.031 0.000 1.038 292 V CB -1.140 30.824 31.823 0.235 0.000 0.651 292 V HN 0.144 nan 8.190 nan 0.000 0.450 293 L N 0.309 121.524 121.223 -0.014 0.000 2.012 293 L HA -0.136 4.203 4.340 -0.003 0.000 0.210 293 L C 2.594 179.431 176.870 -0.056 0.000 1.073 293 L CA 2.380 57.223 54.840 0.004 0.000 0.748 293 L CB -1.278 40.812 42.059 0.052 0.000 0.891 293 L HN 0.295 nan 8.230 nan 0.000 0.431 294 A N -0.989 121.771 122.820 -0.101 0.000 1.908 294 A HA -0.178 4.141 4.320 -0.003 0.000 0.218 294 A C 2.462 179.889 177.584 -0.263 0.000 1.181 294 A CA 1.956 53.937 52.037 -0.093 0.000 0.627 294 A CB -1.004 17.989 19.000 -0.012 0.000 0.818 294 A HN 0.439 nan 8.150 nan 0.000 0.445 295 A N -0.208 122.185 122.820 -0.712 0.000 1.877 295 A HA -0.186 4.132 4.320 -0.003 0.000 0.216 295 A C 1.941 179.332 177.584 -0.321 0.000 1.186 295 A CA 1.701 53.175 52.037 -0.940 0.000 0.620 295 A CB -0.555 17.149 19.000 -2.160 0.000 0.822 295 A HN 0.648 nan 8.150 nan 0.000 0.443 296 E N -0.219 119.882 120.200 -0.164 0.000 2.072 296 E HA -0.095 4.254 4.350 -0.003 0.000 0.191 296 E C 2.245 178.777 176.600 -0.113 0.000 0.985 296 E CA 1.269 57.660 56.400 -0.014 0.000 0.801 296 E CB -0.154 29.582 29.700 0.060 0.000 0.750 296 E HN 0.556 nan 8.360 nan 0.000 0.452 297 S N 0.299 115.951 115.700 -0.081 0.000 2.423 297 S HA -0.091 4.378 4.470 -0.003 0.000 0.231 297 S C 2.056 176.560 174.600 -0.160 0.000 1.014 297 S CA 1.084 59.244 58.200 -0.066 0.000 0.965 297 S CB -0.142 63.103 63.200 0.075 0.000 0.785 297 S HN 0.260 nan 8.310 nan 0.000 0.495 298 T N 2.574 117.046 114.554 -0.137 0.000 2.737 298 T HA 0.081 4.429 4.350 -0.003 0.000 0.265 298 T C 1.722 176.221 174.700 -0.335 0.000 1.038 298 T CA 0.914 62.911 62.100 -0.171 0.000 1.144 298 T CB -0.319 68.471 68.868 -0.129 0.000 0.866 298 T HN 0.310 nan 8.240 nan 0.000 0.434 299 I N 0.612 120.888 120.570 -0.490 0.000 2.226 299 I HA -0.149 4.020 4.170 -0.003 0.000 0.245 299 I C 2.540 178.337 176.117 -0.533 0.000 1.100 299 I CA 1.131 61.932 61.300 -0.831 0.000 1.374 299 I CB -0.180 37.311 38.000 -0.849 0.000 1.057 299 I HN 0.091 nan 8.210 nan 0.000 0.413 300 K N 0.173 120.289 120.400 -0.473 0.000 2.167 300 K HA -0.100 4.219 4.320 -0.003 0.000 0.203 300 K C 1.654 177.832 176.600 -0.702 0.000 1.052 300 K CA 1.711 57.652 56.287 -0.576 0.000 0.956 300 K CB -0.076 32.018 32.500 -0.676 0.000 0.735 300 K HN 0.451 nan 8.250 nan 0.000 0.451 301 H N -1.959 116.895 119.070 -0.360 0.000 2.927 301 H HA 0.295 4.849 4.556 -0.003 0.000 0.255 301 H C 1.065 176.295 175.328 -0.164 0.000 0.974 301 H CA 0.289 56.107 56.048 -0.384 0.000 1.199 301 H CB 0.670 29.856 29.762 -0.960 0.000 1.447 301 H HN -0.063 nan 8.280 nan 0.000 0.467 302 L N 0.559 121.752 121.223 -0.050 0.000 2.513 302 L HA 0.108 4.447 4.340 -0.003 0.000 0.222 302 L C 0.791 177.676 176.870 0.026 0.000 1.096 302 L CA 0.033 54.913 54.840 0.066 0.000 0.857 302 L CB 0.139 42.210 42.059 0.019 0.000 1.026 302 L HN 0.061 nan 8.230 nan 0.000 0.469 303 K N 1.285 121.643 120.400 -0.071 0.000 2.524 303 K HA 0.046 4.365 4.320 -0.003 0.000 0.279 303 K C -0.188 176.326 176.600 -0.144 0.000 0.993 303 K CA 0.341 56.576 56.287 -0.086 0.000 1.030 303 K CB 0.541 32.968 32.500 -0.121 0.000 0.891 303 K HN -0.028 nan 8.250 nan 0.000 0.488 304 S N 2.919 118.482 115.700 -0.229 0.000 2.543 304 S HA 0.328 4.797 4.470 -0.003 0.000 0.271 304 S C -1.991 172.380 174.600 -0.381 0.000 1.148 304 S CA -0.870 57.246 58.200 -0.139 0.000 0.914 304 S CB 0.651 64.043 63.200 0.320 0.000 1.096 304 S HN 0.731 nan 8.310 nan 0.000 0.471 305 H N 2.344 121.428 119.070 0.023 0.000 2.489 305 H HA 0.507 5.061 4.556 -0.002 0.000 0.343 305 H C -2.578 172.775 175.328 0.041 0.000 1.086 305 H CA -1.689 54.311 56.048 -0.080 0.000 1.198 305 H CB 1.446 31.167 29.762 -0.067 0.000 1.490 305 H HN 0.352 nan 8.280 nan 0.000 0.504 306 P HA -0.003 nan 4.420 nan 0.000 0.271 306 P C 0.709 178.161 177.300 0.253 0.000 1.218 306 P CA -0.531 62.747 63.100 0.296 0.000 0.780 306 P CB 1.109 32.951 31.700 0.236 0.000 0.901 307 K N 1.229 121.836 120.400 0.346 0.000 2.057 307 K HA -0.100 4.218 4.320 -0.003 0.000 0.207 307 K C 1.816 178.483 176.600 0.112 0.000 1.049 307 K CA 2.091 58.523 56.287 0.240 0.000 0.931 307 K CB -0.826 31.862 32.500 0.313 0.000 0.714 307 K HN 0.589 nan 8.250 nan 0.000 0.440 308 S N 0.203 115.910 115.700 0.012 0.000 2.481 308 S HA 0.013 4.482 4.470 -0.003 0.000 0.231 308 S C 0.817 175.331 174.600 -0.143 0.000 0.996 308 S CA 0.351 58.453 58.200 -0.165 0.000 0.942 308 S CB 0.159 63.024 63.200 -0.558 0.000 0.768 308 S HN 0.040 nan 8.310 nan 0.000 0.520 309 R N 1.000 121.443 120.500 -0.095 0.000 2.718 309 R HA 0.325 4.664 4.340 -0.003 0.000 0.266 309 R C -2.814 173.443 176.300 -0.073 0.000 1.776 309 R CA -1.726 54.317 56.100 -0.096 0.000 1.567 309 R CB 0.680 30.912 30.300 -0.113 0.000 1.336 309 R HN 0.202 nan 8.270 nan 0.000 0.619 310 P HA -0.150 nan 4.420 nan 0.000 0.223 310 P C 0.682 177.844 177.300 -0.230 0.000 1.144 310 P CA 1.151 64.178 63.100 -0.120 0.000 0.783 310 P CB 0.289 31.916 31.700 -0.122 0.000 0.771 311 D N -1.635 118.663 120.400 -0.170 0.000 2.349 311 D HA -0.031 4.608 4.640 -0.003 0.000 0.224 311 D C 0.467 176.665 176.300 -0.169 0.000 1.029 311 D CA 0.357 54.253 54.000 -0.174 0.000 0.879 311 D CB -0.217 40.504 40.800 -0.131 0.000 0.906 311 D HN 0.204 nan 8.370 nan 0.000 0.528 312 L N 0.269 121.382 121.223 -0.184 0.000 2.331 312 L HA 0.420 4.759 4.340 -0.003 0.000 0.275 312 L C -0.208 176.441 176.870 -0.369 0.000 1.022 312 L CA -0.456 54.177 54.840 -0.344 0.000 0.812 312 L CB 2.120 43.910 42.059 -0.449 0.000 1.257 312 L HN -0.241 nan 8.230 nan 0.000 0.435 313 T N 2.259 116.440 114.554 -0.622 0.000 2.841 313 T HA 0.644 4.993 4.350 -0.003 0.000 0.285 313 T C -0.779 173.395 174.700 -0.877 0.000 0.991 313 T CA -0.303 61.425 62.100 -0.620 0.000 0.966 313 T CB 0.939 69.560 68.868 -0.412 0.000 0.962 313 T HN 0.181 nan 8.240 nan 0.000 0.438 314 F N 1.093 120.770 119.950 -0.455 0.000 2.664 314 F HA 0.661 5.187 4.527 -0.002 0.000 0.329 314 F C -0.387 175.286 175.800 -0.212 0.000 1.090 314 F CA -1.472 56.289 58.000 -0.397 0.000 0.978 314 F CB 1.463 39.983 39.000 -0.800 0.000 1.378 314 F HN 0.142 nan 8.300 nan 0.000 0.495 315 L N 1.292 122.622 121.223 0.178 0.000 2.325 315 L HA 0.547 4.886 4.340 -0.003 0.000 0.278 315 L C -0.183 176.906 176.870 0.364 0.000 1.023 315 L CA -0.597 54.332 54.840 0.148 0.000 0.811 315 L CB 1.940 43.975 42.059 -0.040 0.000 1.249 315 L HN 0.738 nan 8.230 nan 0.000 0.431 316 S N 0.894 116.802 115.700 0.347 0.000 2.747 316 S HA 0.626 5.094 4.470 -0.003 0.000 0.300 316 S C -0.278 174.492 174.600 0.283 0.000 1.121 316 S CA -0.736 57.676 58.200 0.355 0.000 0.995 316 S CB 1.913 65.369 63.200 0.427 0.000 1.113 316 S HN 0.479 nan 8.310 nan 0.000 0.547 317 S N 0.244 116.078 115.700 0.223 0.000 2.593 317 S HA 0.599 5.068 4.470 -0.003 0.000 0.297 317 S C -1.593 173.120 174.600 0.187 0.000 1.112 317 S CA -0.507 57.814 58.200 0.201 0.000 1.043 317 S CB 0.754 64.024 63.200 0.116 0.000 1.054 317 S HN 0.671 nan 8.310 nan 0.000 0.516 318 Y N 1.335 121.639 120.300 0.007 0.000 2.391 318 Y HA 0.604 5.153 4.550 -0.002 0.000 0.341 318 Y C -0.540 175.305 175.900 -0.091 0.000 0.965 318 Y CA -0.381 57.626 58.100 -0.155 0.000 1.067 318 Y CB 1.644 40.040 38.460 -0.108 0.000 1.199 318 Y HN 0.544 nan 8.280 nan 0.000 0.450 319 S N 6.283 121.552 115.700 -0.718 0.000 2.737 319 S HA 0.335 4.803 4.470 -0.003 0.000 0.269 319 S C -1.409 172.786 174.600 -0.675 0.000 1.150 319 S CA -0.699 57.184 58.200 -0.528 0.000 1.077 319 S CB -0.118 62.934 63.200 -0.246 0.000 1.075 319 S HN 0.885 nan 8.310 nan 0.000 0.476 320 N N 3.666 121.975 118.700 -0.653 0.000 2.714 320 N HA -0.174 4.564 4.740 -0.003 0.000 0.253 320 N C 0.330 175.575 175.510 -0.442 0.000 1.024 320 N CA 1.229 54.025 53.050 -0.425 0.000 0.726 320 N CB -0.903 37.445 38.487 -0.232 0.000 0.908 320 N HN 0.955 nan 8.380 nan 0.000 0.542 321 R N -3.918 116.172 120.500 -0.684 0.000 3.785 321 R HA -0.256 4.083 4.340 -0.003 0.000 0.476 321 R C 0.055 176.238 176.300 -0.195 0.000 0.905 321 R CA 1.681 57.674 56.100 -0.179 0.000 1.412 321 R CB -1.357 28.945 30.300 0.004 0.000 2.077 321 R HN 0.554 nan 8.270 nan 0.000 0.504 322 N N 0.366 118.804 118.700 -0.438 0.000 2.430 322 N HA 0.309 5.047 4.740 -0.003 0.000 0.292 322 N C -1.242 174.091 175.510 -0.295 0.000 1.051 322 N CA -0.392 52.535 53.050 -0.206 0.000 0.917 322 N CB 0.638 39.034 38.487 -0.152 0.000 1.164 322 N HN 0.079 nan 8.380 nan 0.000 0.484 323 Y N 0.825 121.151 120.300 0.043 0.000 2.330 323 Y HA 0.246 4.794 4.550 -0.002 0.000 0.336 323 Y C -0.100 175.803 175.900 0.006 0.000 1.036 323 Y CA -0.715 57.438 58.100 0.089 0.000 1.125 323 Y CB 1.282 39.832 38.460 0.149 0.000 1.194 323 Y HN 0.479 nan 8.280 nan 0.000 0.469 324 D N 3.404 123.865 120.400 0.101 0.000 2.373 324 D HA 0.200 4.838 4.640 -0.003 0.000 0.227 324 D C -1.032 175.190 176.300 -0.130 0.000 1.091 324 D CA -0.395 53.589 54.000 -0.026 0.000 0.840 324 D CB 0.896 41.671 40.800 -0.041 0.000 1.060 324 D HN 0.332 nan 8.370 nan 0.000 0.502 325 L N 3.771 124.802 121.223 -0.320 0.000 2.480 325 L HA 0.248 4.586 4.340 -0.003 0.000 0.243 325 L C 0.115 176.114 176.870 -1.451 0.000 1.315 325 L CA -0.096 54.206 54.840 -0.895 0.000 1.231 325 L CB -0.920 40.619 42.059 -0.867 0.000 1.444 325 L HN 0.376 nan 8.230 nan 0.000 0.409 326 S N -1.593 113.492 115.700 -1.025 0.000 2.570 326 S HA 0.884 5.353 4.470 -0.003 0.000 0.270 326 S C -0.544 173.786 174.600 -0.450 0.000 1.149 326 S CA -0.711 57.023 58.200 -0.777 0.000 0.837 326 S CB 2.402 65.358 63.200 -0.407 0.000 1.124 326 S HN 0.105 nan 8.310 nan 0.000 0.465 327 S N -0.136 115.187 115.700 -0.627 0.000 2.705 327 S HA 0.698 5.166 4.470 -0.003 0.000 0.280 327 S C -1.910 172.069 174.600 -1.035 0.000 1.174 327 S CA -0.654 57.124 58.200 -0.704 0.000 0.823 327 S CB 1.738 64.550 63.200 -0.646 0.000 1.162 327 S HN 0.856 nan 8.310 nan 0.000 0.487 328 Q N 0.224 119.585 119.800 -0.732 0.000 2.484 328 Q HA 0.408 4.746 4.340 -0.003 0.000 0.285 328 Q C 0.108 176.063 176.000 -0.075 0.000 1.097 328 Q CA -0.969 54.598 55.803 -0.393 0.000 0.802 328 Q CB 0.959 29.654 28.738 -0.072 0.000 1.444 328 Q HN 0.809 nan 8.270 nan 0.000 0.429 329 H N 1.190 120.388 119.070 0.213 0.000 2.387 329 H HA -0.054 4.500 4.556 -0.002 0.000 0.299 329 H C 1.522 177.012 175.328 0.271 0.000 1.090 329 H CA 1.779 58.067 56.048 0.400 0.000 1.332 329 H CB 0.295 30.277 29.762 0.367 0.000 1.386 329 H HN 0.609 nan 8.280 nan 0.000 0.516 330 L N 0.182 121.627 121.223 0.369 0.000 2.043 330 L HA -0.201 4.138 4.340 -0.003 0.000 0.212 330 L C 2.571 179.675 176.870 0.391 0.000 1.075 330 L CA 1.920 56.944 54.840 0.306 0.000 0.752 330 L CB -0.642 41.534 42.059 0.194 0.000 0.891 330 L HN 0.286 nan 8.230 nan 0.000 0.432 331 T N -1.731 113.024 114.554 0.336 0.000 2.929 331 T HA -0.186 4.163 4.350 -0.003 0.000 0.271 331 T C 1.737 176.632 174.700 0.324 0.000 1.085 331 T CA 1.064 63.415 62.100 0.418 0.000 1.125 331 T CB -0.564 68.446 68.868 0.236 0.000 0.874 331 T HN 0.410 nan 8.240 nan 0.000 0.494 332 c N 2.186 120.930 118.600 0.239 0.000 2.460 332 c HA 0.036 4.604 4.570 -0.003 0.000 0.291 332 c C 2.206 176.341 174.090 0.075 0.000 1.493 332 c CA -0.394 55.990 56.329 0.092 0.000 1.748 332 c CB -2.368 40.118 42.510 -0.039 0.000 1.656 332 c HN 0.791 nan 8.230 nan 0.000 0.576 333 F N 2.958 122.990 119.950 0.136 0.000 2.502 333 F HA -0.034 4.491 4.527 -0.002 0.000 0.298 333 F C 1.757 177.690 175.800 0.221 0.000 1.111 333 F CA 1.220 59.315 58.000 0.158 0.000 1.445 333 F CB -0.773 38.349 39.000 0.204 0.000 1.081 333 F HN 0.255 nan 8.300 nan 0.000 0.558 334 D N 0.979 120.862 120.400 -0.861 0.000 2.104 334 D HA -0.173 4.465 4.640 -0.003 0.000 0.194 334 D C 2.343 178.558 176.300 -0.141 0.000 0.994 334 D CA 1.564 55.172 54.000 -0.655 0.000 0.830 334 D CB -1.474 39.070 40.800 -0.427 0.000 0.959 334 D HN 0.348 nan 8.370 nan 0.000 0.452 335 G N 0.295 109.012 108.800 -0.138 0.000 2.440 335 G HA2 -0.191 3.768 3.960 -0.003 0.000 0.218 335 G HA3 -0.191 3.768 3.960 -0.003 0.000 0.218 335 G C 1.765 176.672 174.900 0.012 0.000 1.154 335 G CA 1.149 46.205 45.100 -0.073 0.000 0.767 335 G HN 0.527 nan 8.290 nan 0.000 0.552 336 G N 0.125 108.912 108.800 -0.022 0.000 2.408 336 G HA2 -0.156 3.802 3.960 -0.003 0.000 0.217 336 G HA3 -0.156 3.802 3.960 -0.003 0.000 0.217 336 G C 2.066 176.801 174.900 -0.274 0.000 1.150 336 G CA 1.510 46.515 45.100 -0.158 0.000 0.776 336 G HN 0.497 nan 8.290 nan 0.000 0.542 337 S N -0.202 115.481 115.700 -0.029 0.000 2.356 337 S HA -0.051 4.417 4.470 -0.003 0.000 0.223 337 S C 2.096 176.782 174.600 0.144 0.000 1.032 337 S CA 1.056 59.307 58.200 0.084 0.000 1.005 337 S CB -0.404 63.017 63.200 0.369 0.000 0.867 337 S HN 0.290 nan 8.310 nan 0.000 0.449 338 F N 1.438 121.503 119.950 0.192 0.000 2.171 338 F HA 0.027 4.552 4.527 -0.003 0.000 0.300 338 F C 2.043 177.954 175.800 0.186 0.000 1.090 338 F CA 1.010 59.172 58.000 0.270 0.000 1.293 338 F CB -0.284 38.808 39.000 0.153 0.000 1.013 338 F HN 0.196 nan 8.300 nan 0.000 0.486 339 L N -0.873 120.476 121.223 0.210 0.000 2.056 339 L HA -0.211 4.127 4.340 -0.003 0.000 0.207 339 L C 2.463 179.360 176.870 0.045 0.000 1.078 339 L CA 0.751 55.654 54.840 0.106 0.000 0.749 339 L CB -0.551 41.526 42.059 0.030 0.000 0.901 339 L HN 0.201 nan 8.230 nan 0.000 0.433 340 L N -0.264 120.903 121.223 -0.094 0.000 1.994 340 L HA -0.138 4.201 4.340 -0.003 0.000 0.208 340 L C 2.414 179.229 176.870 -0.092 0.000 1.071 340 L CA 2.046 56.817 54.840 -0.114 0.000 0.745 340 L CB -0.877 41.025 42.059 -0.262 0.000 0.892 340 L HN 0.333 nan 8.230 nan 0.000 0.431 341 G N -1.078 107.578 108.800 -0.240 0.000 2.432 341 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.219 341 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.219 341 G C 1.459 176.444 174.900 0.142 0.000 1.135 341 G CA 0.662 45.557 45.100 -0.342 0.000 0.767 341 G HN 0.566 nan 8.290 nan 0.000 0.550 342 G N -0.194 108.784 108.800 0.297 0.000 2.421 342 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.216 342 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.216 342 G C 1.798 176.818 174.900 0.201 0.000 1.171 342 G CA 1.767 47.088 45.100 0.369 0.000 0.775 342 G HN 0.425 nan 8.290 nan 0.000 0.543 343 T N -0.243 114.391 114.554 0.133 0.000 2.857 343 T HA -0.025 4.324 4.350 -0.003 0.000 0.266 343 T C 2.483 177.240 174.700 0.094 0.000 1.048 343 T CA 1.309 63.465 62.100 0.093 0.000 1.139 343 T CB -0.159 68.750 68.868 0.069 0.000 0.874 343 T HN 0.001 nan 8.240 nan 0.000 0.455 344 V N 1.149 121.123 119.914 0.100 0.000 2.453 344 V HA 0.057 4.176 4.120 -0.003 0.000 0.247 344 V C 2.275 178.463 176.094 0.156 0.000 1.048 344 V CA 1.359 63.731 62.300 0.121 0.000 1.049 344 V CB -0.332 31.569 31.823 0.129 0.000 0.672 344 V HN 0.483 nan 8.190 nan 0.000 0.457 345 L N -0.744 120.575 121.223 0.160 0.000 2.607 345 L HA 0.233 4.572 4.340 -0.003 0.000 0.228 345 L C 0.836 177.778 176.870 0.121 0.000 1.123 345 L CA 0.226 55.163 54.840 0.162 0.000 0.890 345 L CB -0.078 42.108 42.059 0.212 0.000 1.103 345 L HN 0.318 nan 8.230 nan 0.000 0.468 346 D N 2.035 122.500 120.400 0.109 0.000 2.705 346 D HA -0.173 4.465 4.640 -0.003 0.000 0.240 346 D C -0.281 176.043 176.300 0.040 0.000 1.137 346 D CA 0.458 54.499 54.000 0.069 0.000 0.677 346 D CB -0.069 40.761 40.800 0.050 0.000 1.049 346 D HN 0.156 nan 8.370 nan 0.000 0.427 347 R N 1.415 121.948 120.500 0.056 0.000 2.272 347 R HA 0.140 4.479 4.340 -0.003 0.000 0.323 347 R C 1.111 177.399 176.300 -0.020 0.000 1.002 347 R CA -0.517 55.542 56.100 -0.068 0.000 0.900 347 R CB 1.446 31.610 30.300 -0.227 0.000 1.151 347 R HN 0.222 nan 8.270 nan 0.000 0.507 348 Q N 1.916 121.695 119.800 -0.034 0.000 2.224 348 Q HA -0.159 4.180 4.340 -0.003 0.000 0.203 348 Q C 1.112 177.118 176.000 0.011 0.000 0.970 348 Q CA 2.025 57.831 55.803 0.004 0.000 0.865 348 Q CB 0.235 28.966 28.738 -0.011 0.000 0.922 348 Q HN 0.564 nan 8.270 nan 0.000 0.445 349 D N -1.055 119.301 120.400 -0.072 0.000 2.144 349 D HA -0.172 4.466 4.640 -0.003 0.000 0.200 349 D C 1.243 177.634 176.300 0.152 0.000 0.978 349 D CA 0.831 54.804 54.000 -0.044 0.000 0.833 349 D CB -0.594 40.103 40.800 -0.171 0.000 0.961 349 D HN 0.271 nan 8.370 nan 0.000 0.470 350 F N 1.047 121.108 119.950 0.185 0.000 2.206 350 F HA 0.156 4.682 4.527 -0.002 0.000 0.298 350 F C 2.523 178.514 175.800 0.320 0.000 1.090 350 F CA -0.317 57.901 58.000 0.363 0.000 1.323 350 F CB -0.681 38.580 39.000 0.436 0.000 1.028 350 F HN -0.057 nan 8.300 nan 0.000 0.492 351 I N -0.137 120.653 120.570 0.367 0.000 2.202 351 I HA -0.275 3.893 4.170 -0.003 0.000 0.242 351 I C 2.014 178.209 176.117 0.130 0.000 1.091 351 I CA 1.345 62.771 61.300 0.210 0.000 1.368 351 I CB -0.413 37.661 38.000 0.123 0.000 1.058 351 I HN -0.004 nan 8.210 nan 0.000 0.410 352 D N 0.554 121.026 120.400 0.120 0.000 2.144 352 D HA -0.209 4.430 4.640 -0.003 0.000 0.199 352 D C 1.916 178.254 176.300 0.064 0.000 0.984 352 D CA 1.302 55.344 54.000 0.070 0.000 0.834 352 D CB -0.316 40.521 40.800 0.061 0.000 0.955 352 D HN 0.225 nan 8.370 nan 0.000 0.465 353 F N 1.512 121.422 119.950 -0.067 0.000 2.146 353 F HA 0.033 4.558 4.527 -0.003 0.000 0.298 353 F C 2.283 177.897 175.800 -0.309 0.000 1.096 353 F CA 1.496 59.357 58.000 -0.231 0.000 1.275 353 F CB -0.507 38.279 39.000 -0.356 0.000 1.008 353 F HN -0.045 nan 8.300 nan 0.000 0.480 354 G N 0.620 109.324 108.800 -0.159 0.000 2.440 354 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.218 354 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.218 354 G C 1.802 176.574 174.900 -0.214 0.000 1.154 354 G CA 1.084 46.078 45.100 -0.177 0.000 0.767 354 G HN 0.424 nan 8.290 nan 0.000 0.552 355 L N -0.026 121.108 121.223 -0.149 0.000 2.141 355 L HA -0.028 4.311 4.340 -0.003 0.000 0.209 355 L C 2.845 179.636 176.870 -0.131 0.000 1.094 355 L CA 0.992 55.758 54.840 -0.124 0.000 0.763 355 L CB -0.333 41.682 42.059 -0.073 0.000 0.908 355 L HN 0.305 nan 8.230 nan 0.000 0.437 356 E N 0.149 120.199 120.200 -0.250 0.000 2.106 356 E HA -0.181 4.167 4.350 -0.003 0.000 0.192 356 E C 2.337 178.701 176.600 -0.394 0.000 0.984 356 E CA 0.943 57.162 56.400 -0.302 0.000 0.806 356 E CB -0.042 29.431 29.700 -0.378 0.000 0.750 356 E HN 0.478 nan 8.360 nan 0.000 0.458 357 L N 0.422 121.319 121.223 -0.543 0.000 2.093 357 L HA -0.142 4.196 4.340 -0.003 0.000 0.208 357 L C 2.477 179.224 176.870 -0.205 0.000 1.085 357 L CA 0.536 55.097 54.840 -0.464 0.000 0.755 357 L CB -0.370 41.344 42.059 -0.574 0.000 0.904 357 L HN 0.040 nan 8.230 nan 0.000 0.435 358 V N 0.066 119.917 119.914 -0.105 0.000 2.295 358 V HA -0.290 3.828 4.120 -0.003 0.000 0.246 358 V C 2.159 178.375 176.094 0.204 0.000 1.049 358 V CA 1.956 64.327 62.300 0.118 0.000 1.024 358 V CB -0.447 31.482 31.823 0.177 0.000 0.648 358 V HN 0.440 nan 8.190 nan 0.000 0.447 359 D N 0.477 120.956 120.400 0.130 0.000 2.123 359 D HA -0.135 4.504 4.640 -0.003 0.000 0.196 359 D C 2.165 178.404 176.300 -0.101 0.000 0.992 359 D CA 1.659 55.718 54.000 0.099 0.000 0.833 359 D CB -0.660 40.177 40.800 0.062 0.000 0.954 359 D HN 0.486 nan 8.370 nan 0.000 0.455 360 G N 0.220 108.887 108.800 -0.222 0.000 2.418 360 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.217 360 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.217 360 G C 1.924 176.764 174.900 -0.100 0.000 1.158 360 G CA 0.978 45.844 45.100 -0.390 0.000 0.771 360 G HN 0.328 nan 8.290 nan 0.000 0.545 361 c N 0.188 118.769 118.600 -0.031 0.000 2.440 361 c HA 0.060 4.629 4.570 -0.003 0.000 0.278 361 c C 2.722 176.748 174.090 -0.107 0.000 1.295 361 c CA 1.054 57.344 56.329 -0.065 0.000 1.738 361 c CB -0.357 42.096 42.510 -0.095 0.000 1.987 361 c HN 0.642 nan 8.230 nan 0.000 0.492 362 E N 1.960 122.144 120.200 -0.026 0.000 2.153 362 E HA -0.118 4.231 4.350 -0.003 0.000 0.194 362 E C 2.005 178.480 176.600 -0.207 0.000 0.988 362 E CA 1.784 58.101 56.400 -0.138 0.000 0.811 362 E CB -0.359 28.902 29.700 -0.731 0.000 0.746 362 E HN 0.513 nan 8.360 nan 0.000 0.466 363 A N 0.001 122.715 122.820 -0.176 0.000 1.933 363 A HA -0.173 4.146 4.320 -0.003 0.000 0.218 363 A C 2.460 180.046 177.584 0.003 0.000 1.175 363 A CA 2.390 54.370 52.037 -0.094 0.000 0.628 363 A CB -1.360 17.600 19.000 -0.067 0.000 0.814 363 A HN 0.512 nan 8.150 nan 0.000 0.444 364 T N -4.298 110.156 114.554 -0.166 0.000 2.995 364 T HA -0.101 4.247 4.350 -0.003 0.000 0.269 364 T C 1.694 176.409 174.700 0.025 0.000 1.091 364 T CA 1.339 63.239 62.100 -0.334 0.000 1.128 364 T CB -0.427 67.764 68.868 -1.129 0.000 0.891 364 T HN 0.381 nan 8.240 nan 0.000 0.492 365 Y N 3.529 123.747 120.300 -0.136 0.000 2.201 365 Y HA 0.125 4.674 4.550 -0.002 0.000 0.292 365 Y C 2.362 178.236 175.900 -0.043 0.000 1.119 365 Y CA 1.080 59.137 58.100 -0.070 0.000 1.127 365 Y CB -0.486 37.945 38.460 -0.048 0.000 1.019 365 Y HN 0.466 nan 8.280 nan 0.000 0.514 366 N N -1.352 117.391 118.700 0.072 0.000 2.449 366 N HA -0.032 4.707 4.740 -0.003 0.000 0.191 366 N C 0.791 176.316 175.510 0.025 0.000 1.161 366 N CA 0.913 53.966 53.050 0.006 0.000 0.863 366 N CB -0.289 38.143 38.487 -0.091 0.000 0.980 366 N HN -0.031 nan 8.380 nan 0.000 0.458 367 S N -1.127 114.626 115.700 0.089 0.000 2.502 367 S HA 0.045 4.514 4.470 -0.003 0.000 0.215 367 S C 0.758 175.495 174.600 0.228 0.000 1.009 367 S CA 0.199 58.462 58.200 0.105 0.000 0.908 367 S CB -0.086 63.168 63.200 0.090 0.000 0.801 367 S HN 0.689 nan 8.310 nan 0.000 0.505 368 T N 0.125 114.801 114.554 0.204 0.000 2.816 368 T HA 0.411 4.759 4.350 -0.003 0.000 0.282 368 T C 1.087 175.834 174.700 0.077 0.000 0.993 368 T CA -0.599 61.597 62.100 0.160 0.000 0.994 368 T CB 0.598 69.507 68.868 0.068 0.000 1.025 368 T HN -0.081 nan 8.240 nan 0.000 0.529 369 L N 1.462 122.711 121.223 0.044 0.000 2.027 369 L HA 0.025 4.363 4.340 -0.003 0.000 0.206 369 L C 2.881 179.748 176.870 -0.004 0.000 1.074 369 L CA 2.665 57.518 54.840 0.022 0.000 0.745 369 L CB -1.195 40.870 42.059 0.010 0.000 0.898 369 L HN 1.073 nan 8.230 nan 0.000 0.433 370 T N -4.727 109.809 114.554 -0.029 0.000 3.088 370 T HA -0.020 4.328 4.350 -0.003 0.000 0.259 370 T C 0.912 175.562 174.700 -0.084 0.000 1.122 370 T CA 0.209 62.274 62.100 -0.058 0.000 1.095 370 T CB -0.038 68.783 68.868 -0.079 0.000 0.930 370 T HN 0.251 nan 8.240 nan 0.000 0.508 371 K N 0.247 120.602 120.400 -0.075 0.000 3.339 371 K HA -0.094 4.224 4.320 -0.003 0.000 0.299 371 K C -0.368 176.116 176.600 -0.193 0.000 1.270 371 K CA 0.428 56.673 56.287 -0.070 0.000 0.875 371 K CB -2.544 29.942 32.500 -0.024 0.000 1.298 371 K HN 0.609 nan 8.250 nan 0.000 0.485 372 I N 0.082 120.423 120.570 -0.382 0.000 2.509 372 I HA 0.391 4.560 4.170 -0.003 0.000 0.293 372 I C 1.165 176.778 176.117 -0.840 0.000 1.020 372 I CA -0.894 59.881 61.300 -0.874 0.000 1.088 372 I CB 2.071 39.618 38.000 -0.756 0.000 1.267 372 I HN 0.085 nan 8.210 nan 0.000 0.430 373 G N 5.033 112.988 108.800 -1.410 0.000 2.539 373 G HA2 0.478 4.437 3.960 -0.003 0.000 0.258 373 G HA3 0.478 4.437 3.960 -0.003 0.000 0.258 373 G C -2.593 172.281 174.900 -0.044 0.000 1.202 373 G CA -0.969 43.875 45.100 -0.427 0.000 0.851 373 G HN 0.335 nan 8.290 nan 0.000 0.556 374 P HA 0.140 nan 4.420 nan 0.000 0.276 374 P C -0.121 177.436 177.300 0.428 0.000 1.244 374 P CA -0.225 63.027 63.100 0.253 0.000 0.801 374 P CB 1.800 33.674 31.700 0.290 0.000 1.006 375 D N 0.233 120.837 120.400 0.340 0.000 2.178 375 D HA -0.065 4.573 4.640 -0.003 0.000 0.202 375 D C 0.285 176.777 176.300 0.320 0.000 0.974 375 D CA 1.122 55.311 54.000 0.315 0.000 0.841 375 D CB 0.174 41.075 40.800 0.168 0.000 0.953 375 D HN 0.462 nan 8.370 nan 0.000 0.478 376 S N -1.906 113.990 115.700 0.326 0.000 2.547 376 S HA 0.627 5.095 4.470 -0.003 0.000 0.270 376 S C -1.380 173.414 174.600 0.323 0.000 1.150 376 S CA -1.075 57.214 58.200 0.148 0.000 0.850 376 S CB 0.857 64.075 63.200 0.029 0.000 1.118 376 S HN 0.331 nan 8.310 nan 0.000 0.461 377 W N 0.311 121.619 121.300 0.014 0.000 2.988 377 W HA 0.903 5.561 4.660 -0.003 0.000 0.355 377 W C -0.499 175.960 176.519 -0.101 0.000 1.233 377 W CA -0.639 56.706 57.345 -0.000 0.000 1.176 377 W CB 0.584 29.995 29.460 -0.081 0.000 1.477 377 W HN 1.078 nan 8.180 nan 0.000 0.582 378 G N -0.503 108.221 108.800 -0.128 0.000 2.725 378 G HA2 0.605 4.564 3.960 -0.003 0.000 0.288 378 G HA3 0.605 4.564 3.960 -0.003 0.000 0.288 378 G C -1.944 172.705 174.900 -0.418 0.000 1.399 378 G CA -0.570 44.217 45.100 -0.521 0.000 0.859 378 G HN 1.305 nan 8.290 nan 0.000 0.479 379 W N -0.433 120.739 121.300 -0.215 0.000 1.166 379 W HA 0.389 5.048 4.660 -0.002 0.000 0.203 379 W C -0.678 176.027 176.519 0.311 0.000 0.772 379 W CA -0.874 56.587 57.345 0.193 0.000 1.253 379 W CB 0.171 29.858 29.460 0.380 0.000 0.848 379 W HN 0.422 nan 8.180 nan 0.000 0.403 380 D N 2.993 123.458 120.400 0.109 0.000 2.358 380 D HA 0.103 4.742 4.640 -0.003 0.000 0.258 380 D C -1.174 175.206 176.300 0.132 0.000 1.223 380 D CA -1.632 52.421 54.000 0.089 0.000 0.886 380 D CB 1.807 42.621 40.800 0.024 0.000 1.120 380 D HN -0.096 nan 8.370 nan 0.000 0.482 381 P HA -0.148 nan 4.420 nan 0.000 0.216 381 P C 0.718 177.998 177.300 -0.033 0.000 1.150 381 P CA 1.511 64.637 63.100 0.044 0.000 0.843 381 P CB 0.241 32.025 31.700 0.140 0.000 0.787 382 K N -0.706 119.690 120.400 -0.006 0.000 2.432 382 K HA -0.001 4.317 4.320 -0.003 0.000 0.196 382 K C 1.164 177.717 176.600 -0.078 0.000 1.038 382 K CA 0.809 57.078 56.287 -0.030 0.000 0.986 382 K CB -0.008 32.489 32.500 -0.005 0.000 0.782 382 K HN 0.187 nan 8.250 nan 0.000 0.485 383 K N 0.853 121.182 120.400 -0.119 0.000 2.506 383 K HA 0.152 4.471 4.320 -0.003 0.000 0.204 383 K C -0.706 175.577 176.600 -0.528 0.000 1.045 383 K CA -0.176 55.980 56.287 -0.219 0.000 1.074 383 K CB 1.373 33.797 32.500 -0.125 0.000 0.842 383 K HN -0.152 nan 8.250 nan 0.000 0.514 384 V N 3.996 123.607 119.914 -0.505 0.000 2.450 384 V HA 0.038 4.156 4.120 -0.003 0.000 0.281 384 V C -2.106 173.735 176.094 -0.422 0.000 1.019 384 V CA -1.192 60.714 62.300 -0.658 0.000 1.062 384 V CB -0.226 31.311 31.823 -0.477 0.000 0.979 384 V HN 0.106 nan 8.190 nan 0.000 0.477 385 P HA 0.125 nan 4.420 nan 0.000 0.266 385 P C 0.935 178.175 177.300 -0.099 0.000 1.195 385 P CA 0.166 63.141 63.100 -0.208 0.000 0.768 385 P CB 0.658 32.264 31.700 -0.157 0.000 0.838 386 S N 1.566 117.227 115.700 -0.065 0.000 2.370 386 S HA -0.179 4.289 4.470 -0.003 0.000 0.226 386 S C 1.324 175.925 174.600 0.002 0.000 1.033 386 S CA 1.766 59.951 58.200 -0.025 0.000 1.011 386 S CB -0.675 62.512 63.200 -0.022 0.000 0.852 386 S HN 0.700 nan 8.310 nan 0.000 0.457 387 D N 0.499 120.898 120.400 -0.001 0.000 2.363 387 D HA -0.085 4.553 4.640 -0.003 0.000 0.226 387 D C 1.071 177.394 176.300 0.038 0.000 1.020 387 D CA 0.509 54.518 54.000 0.014 0.000 0.892 387 D CB -0.182 40.620 40.800 0.002 0.000 0.900 387 D HN 0.444 nan 8.370 nan 0.000 0.531 388 Q N -0.236 119.600 119.800 0.059 0.000 2.149 388 Q HA 0.106 4.445 4.340 -0.003 0.000 0.221 388 Q C 1.666 177.799 176.000 0.221 0.000 0.807 388 Q CA -0.323 55.565 55.803 0.141 0.000 1.000 388 Q CB 0.905 29.739 28.738 0.160 0.000 1.157 388 Q HN 0.161 nan 8.270 nan 0.000 0.487 389 K N 2.017 122.503 120.400 0.144 0.000 2.015 389 K HA -0.250 4.068 4.320 -0.003 0.000 0.216 389 K C 1.297 178.036 176.600 0.232 0.000 1.052 389 K CA 1.919 58.310 56.287 0.172 0.000 0.937 389 K CB 0.158 32.719 32.500 0.101 0.000 0.719 389 K HN 0.188 nan 8.250 nan 0.000 0.446 390 E N -0.691 119.611 120.200 0.170 0.000 2.208 390 E HA -0.156 4.193 4.350 -0.003 0.000 0.193 390 E C 1.800 178.478 176.600 0.130 0.000 0.988 390 E CA 0.795 57.273 56.400 0.130 0.000 0.828 390 E CB -0.134 29.622 29.700 0.092 0.000 0.763 390 E HN 0.340 nan 8.360 nan 0.000 0.478 391 F N 0.618 120.593 119.950 0.042 0.000 2.113 391 F HA -0.233 4.293 4.527 -0.002 0.000 0.297 391 F C 2.224 177.997 175.800 -0.044 0.000 1.103 391 F CA 1.321 59.307 58.000 -0.023 0.000 1.248 391 F CB -0.379 38.607 39.000 -0.023 0.000 0.999 391 F HN 0.003 nan 8.300 nan 0.000 0.475 392 Y N 1.656 122.012 120.300 0.093 0.000 2.081 392 Y HA -0.271 4.277 4.550 -0.002 0.000 0.280 392 Y C 2.275 178.153 175.900 -0.036 0.000 1.163 392 Y CA 2.390 60.520 58.100 0.050 0.000 1.135 392 Y CB -0.900 37.704 38.460 0.240 0.000 0.970 392 Y HN 0.263 nan 8.280 nan 0.000 0.498 393 E N 0.181 120.306 120.200 -0.126 0.000 2.171 393 E HA -0.254 4.094 4.350 -0.003 0.000 0.197 393 E C 1.974 178.413 176.600 -0.269 0.000 0.997 393 E CA 1.806 58.075 56.400 -0.217 0.000 0.810 393 E CB -0.200 29.494 29.700 -0.010 0.000 0.738 393 E HN 0.722 nan 8.360 nan 0.000 0.467 394 K N -0.300 119.934 120.400 -0.278 0.000 2.276 394 K HA 0.238 4.557 4.320 -0.003 0.000 0.198 394 K C 2.005 178.375 176.600 -0.383 0.000 1.052 394 K CA 0.736 56.855 56.287 -0.281 0.000 0.984 394 K CB 0.260 32.626 32.500 -0.224 0.000 0.836 394 K HN 0.018 nan 8.250 nan 0.000 0.490 395 A N 1.117 123.569 122.820 -0.614 0.000 2.030 395 A HA 0.348 4.666 4.320 -0.003 0.000 0.215 395 A C 1.691 179.039 177.584 -0.395 0.000 1.164 395 A CA 0.735 52.357 52.037 -0.693 0.000 0.697 395 A CB -0.327 17.762 19.000 -1.520 0.000 0.827 395 A HN 0.602 nan 8.150 nan 0.000 0.457 396 G N -1.897 106.665 108.800 -0.397 0.000 2.134 396 G HA2 -0.073 3.886 3.960 -0.003 0.000 0.209 396 G HA3 -0.073 3.886 3.960 -0.003 0.000 0.209 396 G C 0.031 175.122 174.900 0.319 0.000 0.993 396 G CA 0.291 45.320 45.100 -0.119 0.000 0.669 396 G HN 1.771 nan 8.290 nan 0.000 0.519 397 F N -1.989 118.113 119.950 0.253 0.000 2.799 397 F HA 0.666 5.192 4.527 -0.003 0.000 0.316 397 F C -0.920 175.226 175.800 0.576 0.000 1.155 397 F CA -2.535 55.734 58.000 0.449 0.000 0.916 397 F CB 0.313 39.461 39.000 0.246 0.000 1.294 397 F HN 0.535 nan 8.300 nan 0.000 0.447 398 Y N 0.557 121.307 120.300 0.750 0.000 2.509 398 Y HA 0.831 5.379 4.550 -0.003 0.000 0.341 398 Y C -0.639 175.618 175.900 0.594 0.000 1.038 398 Y CA -2.196 56.222 58.100 0.529 0.000 1.089 398 Y CB 1.071 39.721 38.460 0.317 0.000 1.241 398 Y HN 0.670 nan 8.280 nan 0.000 0.468 399 I N 2.762 123.662 120.570 0.550 0.000 2.396 399 I HA 0.125 4.293 4.170 -0.003 0.000 0.289 399 I C 0.407 176.749 176.117 0.374 0.000 1.056 399 I CA 0.181 61.746 61.300 0.441 0.000 1.365 399 I CB 1.391 39.529 38.000 0.230 0.000 1.407 399 I HN 0.855 nan 8.210 nan 0.000 0.509 400 S N 2.961 118.871 115.700 0.349 0.000 2.412 400 S HA -0.009 4.460 4.470 -0.003 0.000 0.223 400 S C 0.723 175.434 174.600 0.185 0.000 1.048 400 S CA 0.284 58.638 58.200 0.257 0.000 0.954 400 S CB 0.237 63.559 63.200 0.205 0.000 0.840 400 S HN 0.692 nan 8.310 nan 0.000 0.503 401 S N 0.349 116.165 115.700 0.194 0.000 2.707 401 S HA 0.559 5.028 4.470 -0.003 0.000 0.303 401 S C 0.275 174.985 174.600 0.183 0.000 1.132 401 S CA -0.618 57.680 58.200 0.163 0.000 1.046 401 S CB 1.274 64.560 63.200 0.142 0.000 1.004 401 S HN 0.310 nan 8.310 nan 0.000 0.483 402 G N 2.616 111.507 108.800 0.152 0.000 3.233 402 G HA2 0.209 4.167 3.960 -0.003 0.000 0.227 402 G HA3 0.209 4.167 3.960 -0.003 0.000 0.227 402 G C 0.512 175.497 174.900 0.142 0.000 1.175 402 G CA 0.090 45.274 45.100 0.140 0.000 0.781 402 G HN 0.860 nan 8.290 nan 0.000 0.542 403 S N -0.644 115.147 115.700 0.151 0.000 2.617 403 S HA 0.579 5.047 4.470 -0.003 0.000 0.269 403 S C -0.886 173.788 174.600 0.123 0.000 1.292 403 S CA -0.764 57.513 58.200 0.129 0.000 1.010 403 S CB 1.646 64.906 63.200 0.100 0.000 0.944 403 S HN 0.297 nan 8.310 nan 0.000 0.536 404 Y N 1.363 121.612 120.300 -0.084 0.000 2.331 404 Y HA 0.471 5.020 4.550 -0.002 0.000 0.326 404 Y C -0.255 175.548 175.900 -0.162 0.000 1.020 404 Y CA -1.315 56.718 58.100 -0.113 0.000 1.136 404 Y CB 1.491 39.895 38.460 -0.093 0.000 1.157 404 Y HN 0.696 nan 8.280 nan 0.000 0.444 405 V N 4.737 124.224 119.914 -0.713 0.000 3.023 405 V HA 0.296 4.414 4.120 -0.003 0.000 0.384 405 V C 0.339 176.101 176.094 -0.554 0.000 1.289 405 V CA -0.207 61.755 62.300 -0.563 0.000 1.383 405 V CB -0.937 30.706 31.823 -0.301 0.000 1.388 405 V HN 0.953 nan 8.190 nan 0.000 0.551 406 L N -1.303 119.191 121.223 -1.215 0.000 3.717 406 L HA -0.184 4.155 4.340 -0.003 0.000 0.411 406 L C 0.860 177.645 176.870 -0.141 0.000 1.233 406 L CA 0.520 55.007 54.840 -0.589 0.000 0.917 406 L CB -1.620 40.362 42.059 -0.129 0.000 1.902 406 L HN 0.580 nan 8.230 nan 0.000 0.894 407 R N 1.526 121.764 120.500 -0.436 0.000 2.582 407 R HA 0.236 4.575 4.340 -0.003 0.000 0.271 407 R C -1.200 175.212 176.300 0.186 0.000 1.078 407 R CA -0.906 55.075 56.100 -0.199 0.000 1.127 407 R CB 0.663 30.695 30.300 -0.446 0.000 1.038 407 R HN 0.013 nan 8.270 nan 0.000 0.500 408 P HA 0.133 nan 4.420 nan 0.000 0.281 408 P C -0.165 177.295 177.300 0.267 0.000 1.291 408 P CA 0.249 63.530 63.100 0.302 0.000 0.906 408 P CB 0.641 32.519 31.700 0.296 0.000 1.388 409 E N 0.434 120.817 120.200 0.306 0.000 2.130 409 E HA -0.129 4.220 4.350 -0.003 0.000 0.196 409 E C 2.002 178.563 176.600 -0.064 0.000 0.998 409 E CA 1.303 57.805 56.400 0.170 0.000 0.806 409 E CB -1.159 28.689 29.700 0.246 0.000 0.738 409 E HN 0.071 nan 8.360 nan 0.000 0.459 410 V N 0.498 120.272 119.914 -0.234 0.000 2.379 410 V HA -0.177 3.942 4.120 -0.003 0.000 0.245 410 V C 2.122 177.668 176.094 -0.913 0.000 1.044 410 V CA 1.374 63.252 62.300 -0.703 0.000 1.036 410 V CB -0.338 30.844 31.823 -1.069 0.000 0.664 410 V HN 0.255 nan 8.190 nan 0.000 0.453 411 I N 0.167 120.465 120.570 -0.454 0.000 2.394 411 I HA -0.229 3.940 4.170 -0.003 0.000 0.251 411 I C 2.583 178.633 176.117 -0.113 0.000 1.136 411 I CA 1.629 62.819 61.300 -0.183 0.000 1.425 411 I CB -0.275 37.807 38.000 0.137 0.000 1.079 411 I HN 0.451 nan 8.210 nan 0.000 0.425 412 E N 1.000 121.057 120.200 -0.238 0.000 2.038 412 E HA -0.230 4.119 4.350 -0.003 0.000 0.195 412 E C 2.202 178.740 176.600 -0.103 0.000 1.000 412 E CA 1.903 57.968 56.400 -0.558 0.000 0.803 412 E CB 0.067 29.501 29.700 -0.444 0.000 0.750 412 E HN 0.358 nan 8.360 nan 0.000 0.448 413 S N -0.113 115.583 115.700 -0.007 0.000 2.402 413 S HA -0.050 4.418 4.470 -0.003 0.000 0.229 413 S C 1.597 176.350 174.600 0.255 0.000 1.021 413 S CA 0.758 59.045 58.200 0.145 0.000 0.974 413 S CB -0.336 62.881 63.200 0.029 0.000 0.800 413 S HN 0.333 nan 8.310 nan 0.000 0.484 414 F N 0.109 120.116 119.950 0.095 0.000 2.134 414 F HA -0.193 4.333 4.527 -0.002 0.000 0.299 414 F C 2.347 178.223 175.800 0.127 0.000 1.097 414 F CA 1.183 59.276 58.000 0.155 0.000 1.264 414 F CB -0.390 38.746 39.000 0.227 0.000 1.001 414 F HN 0.255 nan 8.300 nan 0.000 0.479 415 Y N 0.056 120.459 120.300 0.172 0.000 2.128 415 Y HA -0.352 4.197 4.550 -0.002 0.000 0.284 415 Y C 2.252 178.138 175.900 -0.023 0.000 1.154 415 Y CA 1.724 59.837 58.100 0.021 0.000 1.149 415 Y CB -0.854 37.508 38.460 -0.164 0.000 0.976 415 Y HN -0.011 nan 8.280 nan 0.000 0.505 416 Y N -0.222 119.974 120.300 -0.173 0.000 2.181 416 Y HA -0.223 4.325 4.550 -0.003 0.000 0.288 416 Y C 2.690 178.450 175.900 -0.234 0.000 1.146 416 Y CA 1.216 59.163 58.100 -0.255 0.000 1.164 416 Y CB -0.784 37.626 38.460 -0.083 0.000 0.982 416 Y HN 0.270 nan 8.280 nan 0.000 0.515 417 A N -0.530 122.264 122.820 -0.044 0.000 1.908 417 A HA -0.285 4.034 4.320 -0.003 0.000 0.218 417 A C 2.135 179.554 177.584 -0.275 0.000 1.181 417 A CA 2.057 53.899 52.037 -0.324 0.000 0.627 417 A CB -1.098 17.476 19.000 -0.709 0.000 0.818 417 A HN 0.656 nan 8.150 nan 0.000 0.445 418 H N -0.685 118.283 119.070 -0.170 0.000 2.357 418 H HA -0.049 4.505 4.556 -0.002 0.000 0.301 418 H C 2.064 177.306 175.328 -0.143 0.000 1.082 418 H CA 1.365 57.371 56.048 -0.070 0.000 1.342 418 H CB 0.010 29.742 29.762 -0.050 0.000 1.389 418 H HN 0.271 nan 8.280 nan 0.000 0.511 419 R N 0.407 120.672 120.500 -0.392 0.000 2.092 419 R HA -0.053 4.286 4.340 -0.003 0.000 0.231 419 R C 2.482 178.634 176.300 -0.247 0.000 1.119 419 R CA 0.788 56.652 56.100 -0.393 0.000 0.970 419 R CB -0.669 29.369 30.300 -0.437 0.000 0.864 419 R HN 0.262 nan 8.270 nan 0.000 0.440 420 V N 0.693 120.503 119.914 -0.173 0.000 2.407 420 V HA -0.144 3.974 4.120 -0.003 0.000 0.245 420 V C 2.437 178.470 176.094 -0.102 0.000 1.041 420 V CA 2.189 64.431 62.300 -0.095 0.000 1.040 420 V CB -0.535 31.262 31.823 -0.043 0.000 0.671 420 V HN 0.477 nan 8.190 nan 0.000 0.455 421 T N -3.083 111.397 114.554 -0.124 0.000 3.044 421 T HA 0.244 4.593 4.350 -0.003 0.000 0.255 421 T C 1.681 176.327 174.700 -0.091 0.000 1.073 421 T CA 1.111 63.169 62.100 -0.070 0.000 1.125 421 T CB 0.542 69.411 68.868 0.001 0.000 0.908 421 T HN 0.947 nan 8.240 nan 0.000 0.480 422 G N 1.749 110.430 108.800 -0.198 0.000 2.184 422 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.264 422 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.264 422 G C 0.017 174.850 174.900 -0.112 0.000 0.975 422 G CA 0.113 45.057 45.100 -0.259 0.000 0.642 422 G HN 0.610 nan 8.290 nan 0.000 0.536 423 K N 0.360 120.767 120.400 0.011 0.000 2.298 423 K HA 0.358 4.676 4.320 -0.003 0.000 0.280 423 K C 1.087 177.721 176.600 0.058 0.000 1.032 423 K CA -0.451 55.844 56.287 0.013 0.000 0.958 423 K CB 1.484 33.969 32.500 -0.025 0.000 0.978 423 K HN 0.189 nan 8.250 nan 0.000 0.472 424 E N 1.952 122.119 120.200 -0.055 0.000 2.150 424 E HA -0.147 4.201 4.350 -0.003 0.000 0.193 424 E C 1.513 177.949 176.600 -0.273 0.000 0.985 424 E CA 0.649 56.992 56.400 -0.094 0.000 0.814 424 E CB -0.152 29.487 29.700 -0.101 0.000 0.752 424 E HN 0.598 nan 8.360 nan 0.000 0.466 425 I N -0.061 120.209 120.570 -0.500 0.000 2.194 425 I HA -0.324 3.844 4.170 -0.003 0.000 0.246 425 I C 1.517 176.979 176.117 -1.092 0.000 1.093 425 I CA 1.661 62.459 61.300 -0.837 0.000 1.355 425 I CB -0.304 37.020 38.000 -1.127 0.000 1.046 425 I HN 0.223 nan 8.210 nan 0.000 0.413 426 Y N -0.081 119.838 120.300 -0.635 0.000 2.352 426 Y HA -0.180 4.368 4.550 -0.003 0.000 0.292 426 Y C 2.702 178.449 175.900 -0.255 0.000 1.136 426 Y CA 1.358 59.139 58.100 -0.530 0.000 1.227 426 Y CB -0.509 37.798 38.460 -0.254 0.000 0.991 426 Y HN 0.173 nan 8.280 nan 0.000 0.545 427 R N 0.656 121.053 120.500 -0.172 0.000 2.090 427 R HA -0.129 4.209 4.340 -0.003 0.000 0.228 427 R C 1.392 177.684 176.300 -0.012 0.000 1.110 427 R CA 1.743 57.675 56.100 -0.280 0.000 0.973 427 R CB -0.161 29.751 30.300 -0.647 0.000 0.869 427 R HN 0.153 nan 8.270 nan 0.000 0.440 428 D N -0.360 120.024 120.400 -0.026 0.000 2.144 428 D HA -0.169 4.470 4.640 -0.003 0.000 0.200 428 D C 1.386 177.904 176.300 0.364 0.000 0.978 428 D CA 0.902 55.005 54.000 0.172 0.000 0.833 428 D CB -0.215 40.617 40.800 0.054 0.000 0.961 428 D HN 0.332 nan 8.370 nan 0.000 0.470 429 W N 0.950 122.223 121.300 -0.045 0.000 2.402 429 W HA -0.031 4.628 4.660 -0.002 0.000 0.286 429 W C 2.296 178.917 176.519 0.170 0.000 1.221 429 W CA 0.017 57.276 57.345 -0.143 0.000 1.257 429 W CB -1.158 27.824 29.460 -0.797 0.000 1.120 429 W HN -0.142 nan 8.180 nan 0.000 0.551 430 V N -0.216 120.003 119.914 0.508 0.000 2.307 430 V HA -0.293 3.825 4.120 -0.003 0.000 0.245 430 V C 2.123 178.572 176.094 0.591 0.000 1.045 430 V CA 1.961 64.620 62.300 0.599 0.000 1.024 430 V CB -1.037 31.067 31.823 0.469 0.000 0.651 430 V HN 0.319 nan 8.190 nan 0.000 0.449 431 W N 1.224 122.777 121.300 0.422 0.000 2.358 431 W HA -0.212 4.447 4.660 -0.002 0.000 0.303 431 W C 2.200 178.923 176.519 0.340 0.000 1.208 431 W CA 2.012 59.591 57.345 0.389 0.000 1.274 431 W CB -0.383 29.268 29.460 0.319 0.000 1.138 431 W HN 0.395 nan 8.180 nan 0.000 0.515 432 N N 0.373 119.257 118.700 0.307 0.000 2.104 432 N HA -0.182 4.557 4.740 -0.003 0.000 0.190 432 N C 1.999 177.567 175.510 0.096 0.000 1.024 432 N CA 1.450 54.582 53.050 0.137 0.000 0.853 432 N CB -0.463 38.153 38.487 0.214 0.000 1.008 432 N HN 0.087 nan 8.380 nan 0.000 0.424 433 A N 1.001 123.971 122.820 0.250 0.000 1.873 433 A HA -0.145 4.173 4.320 -0.003 0.000 0.215 433 A C 1.955 179.631 177.584 0.153 0.000 1.186 433 A CA 0.912 53.121 52.037 0.287 0.000 0.616 433 A CB -0.853 18.414 19.000 0.446 0.000 0.823 433 A HN 0.368 nan 8.150 nan 0.000 0.442 434 F N 0.926 120.884 119.950 0.012 0.000 2.095 434 F HA -0.169 4.356 4.527 -0.002 0.000 0.298 434 F C 2.212 177.868 175.800 -0.241 0.000 1.104 434 F CA 1.986 59.929 58.000 -0.096 0.000 1.232 434 F CB -0.455 38.488 39.000 -0.095 0.000 0.987 434 F HN 0.023 nan 8.300 nan 0.000 0.475 435 V N 0.584 120.164 119.914 -0.556 0.000 2.343 435 V HA -0.305 3.814 4.120 -0.003 0.000 0.247 435 V C 2.762 178.640 176.094 -0.360 0.000 1.051 435 V CA 1.773 63.717 62.300 -0.594 0.000 1.036 435 V CB -1.595 29.907 31.823 -0.534 0.000 0.654 435 V HN 0.506 nan 8.190 nan 0.000 0.451 436 A N -0.152 122.529 122.820 -0.231 0.000 1.902 436 A HA -0.174 4.145 4.320 -0.003 0.000 0.217 436 A C 2.177 179.655 177.584 -0.176 0.000 1.181 436 A CA 1.931 53.872 52.037 -0.160 0.000 0.623 436 A CB -0.510 18.424 19.000 -0.111 0.000 0.818 436 A HN 0.507 nan 8.150 nan 0.000 0.443 437 I N -0.344 120.104 120.570 -0.203 0.000 2.202 437 I HA -0.248 3.920 4.170 -0.003 0.000 0.242 437 I C 2.407 178.450 176.117 -0.124 0.000 1.091 437 I CA 1.688 62.900 61.300 -0.148 0.000 1.368 437 I CB -0.388 37.547 38.000 -0.108 0.000 1.058 437 I HN 0.446 nan 8.210 nan 0.000 0.410 438 N N 0.093 118.594 118.700 -0.332 0.000 2.223 438 N HA -0.220 4.518 4.740 -0.003 0.000 0.185 438 N C 1.911 177.379 175.510 -0.071 0.000 1.016 438 N CA 1.680 54.623 53.050 -0.178 0.000 0.863 438 N CB -0.036 38.133 38.487 -0.531 0.000 0.983 438 N HN 0.181 nan 8.380 nan 0.000 0.429 439 S N -1.975 113.648 115.700 -0.129 0.000 2.414 439 S HA -0.054 4.414 4.470 -0.003 0.000 0.227 439 S C 1.810 176.387 174.600 -0.038 0.000 1.022 439 S CA 1.613 59.765 58.200 -0.081 0.000 0.958 439 S CB -0.593 62.552 63.200 -0.093 0.000 0.797 439 S HN 0.595 nan 8.310 nan 0.000 0.493 440 T N -2.004 112.536 114.554 -0.025 0.000 2.990 440 T HA 0.141 4.490 4.350 -0.003 0.000 0.250 440 T C 1.506 176.238 174.700 0.054 0.000 1.041 440 T CA 0.739 62.842 62.100 0.004 0.000 1.010 440 T CB -0.378 68.482 68.868 -0.013 0.000 1.003 440 T HN 0.475 nan 8.240 nan 0.000 0.499 441 C N 1.049 120.416 119.300 0.112 0.000 2.912 441 C HA 0.481 4.940 4.460 -0.003 0.000 0.274 441 C C 1.255 176.352 174.990 0.179 0.000 1.248 441 C CA -0.875 58.256 59.018 0.189 0.000 1.694 441 C CB -1.200 26.714 27.740 0.291 0.000 2.024 441 C HN 0.534 nan 8.230 nan 0.000 0.605 442 R N 2.357 122.921 120.500 0.106 0.000 2.489 442 R HA 0.314 4.653 4.340 -0.003 0.000 0.287 442 R C 0.371 176.593 176.300 -0.131 0.000 1.053 442 R CA 0.931 56.927 56.100 -0.173 0.000 1.036 442 R CB 0.536 30.696 30.300 -0.233 0.000 0.966 442 R HN 0.569 nan 8.270 nan 0.000 0.432 443 T N -0.716 113.750 114.554 -0.147 0.000 2.858 443 T HA 0.212 4.560 4.350 -0.003 0.000 0.285 443 T C 0.523 175.232 174.700 0.015 0.000 1.052 443 T CA -0.931 61.136 62.100 -0.056 0.000 1.009 443 T CB 1.414 70.253 68.868 -0.048 0.000 1.241 443 T HN 0.487 nan 8.240 nan 0.000 0.542 444 D N 0.664 121.077 120.400 0.023 0.000 2.182 444 D HA -0.089 4.550 4.640 -0.003 0.000 0.201 444 D C 2.131 178.488 176.300 0.094 0.000 0.986 444 D CA 1.957 56.009 54.000 0.087 0.000 0.847 444 D CB -0.079 40.750 40.800 0.049 0.000 0.942 444 D HN 0.677 nan 8.370 nan 0.000 0.467 445 S N -1.283 114.410 115.700 -0.012 0.000 2.497 445 S HA 0.366 4.834 4.470 -0.003 0.000 0.221 445 S C 1.110 175.533 174.600 -0.295 0.000 1.037 445 S CA 0.468 58.622 58.200 -0.076 0.000 0.920 445 S CB 1.505 64.734 63.200 0.049 0.000 0.800 445 S HN 0.299 nan 8.310 nan 0.000 0.505 446 G N 0.301 108.954 108.800 -0.245 0.000 2.704 446 G HA2 0.518 4.477 3.960 -0.003 0.000 0.118 446 G HA3 0.518 4.477 3.960 -0.003 0.000 0.118 446 G C -1.848 172.772 174.900 -0.467 0.000 1.197 446 G CA -0.767 44.147 45.100 -0.310 0.000 1.152 446 G HN 0.219 nan 8.290 nan 0.000 0.571 447 F N 0.937 120.900 119.950 0.022 0.000 2.565 447 F HA 0.814 5.339 4.527 -0.002 0.000 0.313 447 F C 0.463 176.255 175.800 -0.014 0.000 1.091 447 F CA -0.455 57.556 58.000 0.018 0.000 0.915 447 F CB 2.632 41.630 39.000 -0.004 0.000 1.208 447 F HN 0.658 nan 8.300 nan 0.000 0.453 448 A N 1.379 124.298 122.820 0.166 0.000 2.380 448 A HA 0.894 5.212 4.320 -0.003 0.000 0.315 448 A C -0.680 176.956 177.584 0.086 0.000 1.101 448 A CA -0.684 51.411 52.037 0.095 0.000 0.771 448 A CB 1.018 20.066 19.000 0.079 0.000 1.287 448 A HN 1.007 nan 8.150 nan 0.000 0.436 449 A N 0.458 123.282 122.820 0.006 0.000 2.425 449 A HA 0.550 4.869 4.320 -0.003 0.000 0.242 449 A C -0.110 177.490 177.584 0.027 0.000 1.077 449 A CA -0.019 51.940 52.037 -0.129 0.000 0.781 449 A CB 0.168 18.921 19.000 -0.412 0.000 1.020 449 A HN 1.276 nan 8.150 nan 0.000 0.494 450 V N 1.197 121.127 119.914 0.026 0.000 2.735 450 V HA 0.329 4.447 4.120 -0.003 0.000 0.310 450 V C 1.296 177.553 176.094 0.271 0.000 1.061 450 V CA 0.369 62.790 62.300 0.202 0.000 0.913 450 V CB 2.124 34.053 31.823 0.176 0.000 1.005 450 V HN 1.264 nan 8.190 nan 0.000 0.428 451 S N 1.586 117.532 115.700 0.410 0.000 2.414 451 S HA 0.051 4.519 4.470 -0.003 0.000 0.227 451 S C 0.471 175.195 174.600 0.207 0.000 1.022 451 S CA 0.762 59.207 58.200 0.409 0.000 0.958 451 S CB 0.109 63.444 63.200 0.225 0.000 0.797 451 S HN 0.756 nan 8.310 nan 0.000 0.493 452 D N 1.222 121.704 120.400 0.137 0.000 2.375 452 D HA 0.226 4.865 4.640 -0.003 0.000 0.241 452 D C 0.795 177.126 176.300 0.052 0.000 1.361 452 D CA -0.333 53.718 54.000 0.085 0.000 0.995 452 D CB 1.895 42.727 40.800 0.054 0.000 1.312 452 D HN 0.095 nan 8.370 nan 0.000 0.576 453 V N 1.733 121.674 119.914 0.045 0.000 3.241 453 V HA 0.013 4.132 4.120 -0.003 0.000 0.269 453 V C 1.016 177.099 176.094 -0.019 0.000 1.151 453 V CA 1.006 63.303 62.300 -0.005 0.000 1.158 453 V CB -0.532 31.265 31.823 -0.045 0.000 0.764 453 V HN 0.268 nan 8.190 nan 0.000 0.508 454 N N 0.553 119.243 118.700 -0.016 0.000 2.273 454 N HA 0.262 5.000 4.740 -0.003 0.000 0.231 454 N C -0.200 175.290 175.510 -0.032 0.000 1.134 454 N CA -0.089 52.935 53.050 -0.043 0.000 0.856 454 N CB 0.128 38.541 38.487 -0.123 0.000 1.068 454 N HN 0.635 nan 8.380 nan 0.000 0.510 455 K N -0.411 119.982 120.400 -0.012 0.000 2.435 455 K HA 0.610 4.929 4.320 -0.003 0.000 0.251 455 K C -0.862 175.738 176.600 -0.000 0.000 0.954 455 K CA -1.059 55.225 56.287 -0.005 0.000 0.820 455 K CB 1.980 34.481 32.500 0.002 0.000 1.292 455 K HN 0.032 nan 8.250 nan 0.000 0.436 456 A N 2.407 125.227 122.820 0.000 0.000 2.584 456 A HA -0.022 4.297 4.320 -0.003 0.000 0.239 456 A C 0.284 177.870 177.584 0.004 0.000 1.043 456 A CA 0.363 52.401 52.037 0.001 0.000 0.756 456 A CB -0.392 18.609 19.000 0.001 0.000 0.963 456 A HN 0.949 nan 8.150 nan 0.000 0.511 457 N N 0.798 119.498 118.700 0.001 0.000 2.713 457 N HA -0.245 4.493 4.740 -0.003 0.000 0.251 457 N C 0.918 176.439 175.510 0.019 0.000 1.117 457 N CA 2.399 55.453 53.050 0.005 0.000 0.770 457 N CB -1.586 36.905 38.487 0.006 0.000 1.137 457 N HN 2.196 nan 8.380 nan 0.000 0.566 458 G N -1.595 107.216 108.800 0.018 0.000 2.148 458 G HA2 0.018 3.976 3.960 -0.003 0.000 0.254 458 G HA3 0.018 3.976 3.960 -0.003 0.000 0.254 458 G C 1.173 176.107 174.900 0.058 0.000 0.981 458 G CA 1.121 46.244 45.100 0.040 0.000 0.670 458 G HN 1.584 nan 8.290 nan 0.000 0.528 459 G N -1.142 107.680 108.800 0.038 0.000 2.609 459 G HA2 -0.006 3.952 3.960 -0.003 0.000 0.288 459 G HA3 -0.006 3.952 3.960 -0.003 0.000 0.288 459 G C 0.387 175.309 174.900 0.037 0.000 1.211 459 G CA 0.684 45.806 45.100 0.036 0.000 0.963 459 G HN 1.823 nan 8.290 nan 0.000 0.541 460 S N 0.889 116.619 115.700 0.049 0.000 2.532 460 S HA 0.642 5.110 4.470 -0.003 0.000 0.301 460 S C -0.225 174.429 174.600 0.090 0.000 1.083 460 S CA -0.632 57.587 58.200 0.032 0.000 1.025 460 S CB 1.911 65.096 63.200 -0.024 0.000 1.056 460 S HN 0.639 nan 8.310 nan 0.000 0.494 461 K N 1.452 121.898 120.400 0.077 0.000 2.143 461 K HA 0.378 4.697 4.320 -0.003 0.000 0.272 461 K C -1.251 175.442 176.600 0.155 0.000 1.001 461 K CA -0.368 56.006 56.287 0.145 0.000 0.915 461 K CB 0.591 33.144 32.500 0.088 0.000 1.047 461 K HN 0.464 nan 8.250 nan 0.000 0.458 462 Y N 0.722 121.024 120.300 0.004 0.000 2.301 462 Y HA 0.016 4.564 4.550 -0.002 0.000 0.325 462 Y C 0.669 176.559 175.900 -0.016 0.000 1.203 462 Y CA -0.691 57.406 58.100 -0.006 0.000 1.255 462 Y CB 0.702 39.160 38.460 -0.004 0.000 1.232 462 Y HN 0.546 nan 8.280 nan 0.000 0.501 463 D N 2.523 122.995 120.400 0.120 0.000 2.845 463 D HA 0.038 4.677 4.640 -0.003 0.000 0.235 463 D C -0.769 175.565 176.300 0.056 0.000 1.158 463 D CA 0.191 54.220 54.000 0.048 0.000 0.990 463 D CB -0.631 40.166 40.800 -0.005 0.000 1.094 463 D HN 0.536 nan 8.370 nan 0.000 0.486 464 N N 1.612 120.353 118.700 0.068 0.000 2.324 464 N HA 0.149 4.887 4.740 -0.003 0.000 0.285 464 N C -1.808 173.684 175.510 -0.030 0.000 1.076 464 N CA -0.417 52.646 53.050 0.021 0.000 0.864 464 N CB 1.584 40.093 38.487 0.038 0.000 1.632 464 N HN 0.149 nan 8.380 nan 0.000 0.478 465 Q N 3.056 122.819 119.800 -0.062 0.000 2.786 465 Q HA 0.171 4.509 4.340 -0.003 0.000 0.240 465 Q C -1.063 174.816 176.000 -0.202 0.000 0.928 465 Q CA -0.571 55.166 55.803 -0.111 0.000 0.721 465 Q CB 0.959 29.668 28.738 -0.049 0.000 1.318 465 Q HN 0.524 nan 8.270 nan 0.000 0.474 466 E N 0.879 120.844 120.200 -0.391 0.000 2.418 466 E HA -0.035 4.314 4.350 -0.003 0.000 0.261 466 E C 1.006 177.256 176.600 -0.583 0.000 1.070 466 E CA 0.641 56.649 56.400 -0.654 0.000 0.931 466 E CB 1.290 30.111 29.700 -1.465 0.000 0.954 466 E HN 0.807 nan 8.360 nan 0.000 0.439 467 S N 2.190 117.661 115.700 -0.382 0.000 2.419 467 S HA -0.210 4.258 4.470 -0.003 0.000 0.235 467 S C 1.646 176.249 174.600 0.004 0.000 1.019 467 S CA 1.271 59.420 58.200 -0.086 0.000 0.982 467 S CB -0.570 62.611 63.200 -0.030 0.000 0.789 467 S HN 0.548 nan 8.310 nan 0.000 0.490 468 F N 1.160 121.146 119.950 0.062 0.000 2.641 468 F HA 0.299 4.825 4.527 -0.002 0.000 0.298 468 F C 1.855 177.675 175.800 0.034 0.000 1.146 468 F CA -0.378 57.652 58.000 0.049 0.000 1.464 468 F CB -0.716 38.302 39.000 0.030 0.000 1.101 468 F HN 0.170 nan 8.300 nan 0.000 0.585 469 L N 0.098 121.340 121.223 0.033 0.000 2.017 469 L HA -0.156 4.182 4.340 -0.003 0.000 0.208 469 L C 1.993 178.836 176.870 -0.046 0.000 1.073 469 L CA 2.118 56.920 54.840 -0.064 0.000 0.745 469 L CB -0.896 40.969 42.059 -0.323 0.000 0.894 469 L HN 0.194 nan 8.230 nan 0.000 0.432 470 F N 0.390 120.396 119.950 0.094 0.000 2.128 470 F HA -0.064 4.462 4.527 -0.003 0.000 0.295 470 F C 2.721 178.655 175.800 0.223 0.000 1.100 470 F CA 1.222 59.330 58.000 0.180 0.000 1.260 470 F CB -0.701 38.376 39.000 0.128 0.000 1.009 470 F HN 0.164 nan 8.300 nan 0.000 0.476 471 A N -0.208 122.824 122.820 0.352 0.000 1.898 471 A HA -0.128 4.190 4.320 -0.003 0.000 0.216 471 A C 1.948 179.544 177.584 0.021 0.000 1.181 471 A CA 1.911 54.057 52.037 0.182 0.000 0.620 471 A CB -0.437 18.625 19.000 0.103 0.000 0.819 471 A HN 0.452 nan 8.150 nan 0.000 0.442 472 E N -1.175 119.075 120.200 0.083 0.000 2.280 472 E HA 0.064 4.412 4.350 -0.003 0.000 0.197 472 E C 1.920 178.581 176.600 0.102 0.000 0.913 472 E CA 0.555 56.961 56.400 0.010 0.000 0.995 472 E CB -0.186 29.609 29.700 0.157 0.000 0.991 472 E HN 0.228 nan 8.360 nan 0.000 0.484 473 V N 2.140 122.175 119.914 0.201 0.000 2.287 473 V HA -0.279 3.839 4.120 -0.003 0.000 0.248 473 V C 2.370 178.573 176.094 0.182 0.000 1.053 473 V CA 1.610 64.046 62.300 0.226 0.000 1.027 473 V CB -0.389 31.553 31.823 0.197 0.000 0.646 473 V HN 0.317 nan 8.190 nan 0.000 0.447 474 M N -0.581 119.108 119.600 0.148 0.000 2.254 474 M HA -0.093 4.385 4.480 -0.003 0.000 0.265 474 M C 2.135 178.475 176.300 0.066 0.000 1.066 474 M CA 1.539 56.934 55.300 0.157 0.000 1.123 474 M CB -1.051 31.751 32.600 0.336 0.000 1.388 474 M HN 0.356 nan 8.290 nan 0.000 0.425 475 K N -0.082 120.302 120.400 -0.027 0.000 2.007 475 K HA -0.145 4.174 4.320 -0.003 0.000 0.206 475 K C 1.992 178.489 176.600 -0.172 0.000 1.047 475 K CA 1.419 57.611 56.287 -0.158 0.000 0.937 475 K CB -0.186 32.125 32.500 -0.314 0.000 0.718 475 K HN 0.217 nan 8.250 nan 0.000 0.438 476 Y N 0.798 121.029 120.300 -0.115 0.000 2.224 476 Y HA -0.204 4.344 4.550 -0.003 0.000 0.289 476 Y C 2.649 178.499 175.900 -0.083 0.000 1.146 476 Y CA 1.060 59.001 58.100 -0.265 0.000 1.182 476 Y CB 0.043 38.401 38.460 -0.170 0.000 0.983 476 Y HN 0.142 nan 8.280 nan 0.000 0.524 477 S N -0.777 115.032 115.700 0.181 0.000 2.382 477 S HA -0.229 4.239 4.470 -0.003 0.000 0.228 477 S C 1.679 176.389 174.600 0.183 0.000 1.027 477 S CA 1.373 59.675 58.200 0.170 0.000 0.991 477 S CB -0.553 62.654 63.200 0.011 0.000 0.823 477 S HN 0.533 nan 8.310 nan 0.000 0.469 478 Y N 1.778 122.070 120.300 -0.013 0.000 2.184 478 Y HA -0.021 4.528 4.550 -0.002 0.000 0.290 478 Y C 1.883 177.822 175.900 0.066 0.000 1.129 478 Y CA 0.950 59.051 58.100 0.002 0.000 1.144 478 Y CB -0.512 37.899 38.460 -0.083 0.000 0.995 478 Y HN 0.067 nan 8.280 nan 0.000 0.513 479 L N 0.720 121.934 121.223 -0.015 0.000 2.079 479 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 479 L C 2.638 179.556 176.870 0.080 0.000 1.081 479 L CA 1.925 56.740 54.840 -0.041 0.000 0.752 479 L CB -1.663 40.283 42.059 -0.188 0.000 0.896 479 L HN 0.393 nan 8.230 nan 0.000 0.433 480 A N -1.667 121.214 122.820 0.102 0.000 2.070 480 A HA -0.211 4.108 4.320 -0.003 0.000 0.220 480 A C 1.661 179.021 177.584 -0.374 0.000 1.159 480 A CA 1.838 53.878 52.037 0.005 0.000 0.656 480 A CB -0.716 18.247 19.000 -0.063 0.000 0.800 480 A HN 0.639 nan 8.150 nan 0.000 0.453 481 H N -1.242 117.772 119.070 -0.092 0.000 2.893 481 H HA 0.228 4.783 4.556 -0.003 0.000 0.270 481 H C 0.898 176.093 175.328 -0.221 0.000 1.095 481 H CA 0.309 56.264 56.048 -0.154 0.000 1.186 481 H CB 0.384 30.057 29.762 -0.149 0.000 1.562 481 H HN 0.494 nan 8.280 nan 0.000 0.536 482 S N 0.680 116.233 115.700 -0.246 0.000 2.693 482 S HA 0.269 4.738 4.470 -0.003 0.000 0.276 482 S C 0.244 174.792 174.600 -0.087 0.000 1.192 482 S CA -1.095 56.914 58.200 -0.319 0.000 0.994 482 S CB 1.688 64.431 63.200 -0.762 0.000 1.012 482 S HN 0.277 nan 8.310 nan 0.000 0.550 483 E N 0.283 120.463 120.200 -0.033 0.000 2.408 483 E HA 0.264 4.612 4.350 -0.003 0.000 0.259 483 E C -0.423 176.175 176.600 -0.003 0.000 1.110 483 E CA -0.524 55.874 56.400 -0.004 0.000 0.929 483 E CB -0.062 29.640 29.700 0.003 0.000 0.971 483 E HN 0.571 nan 8.360 nan 0.000 0.438 484 D N 0.013 120.394 120.400 -0.032 0.000 2.400 484 D HA 0.436 5.075 4.640 -0.003 0.000 0.238 484 D C -0.820 175.365 176.300 -0.192 0.000 1.157 484 D CA 0.646 54.606 54.000 -0.068 0.000 0.889 484 D CB 0.636 41.401 40.800 -0.057 0.000 1.199 484 D HN 0.659 nan 8.370 nan 0.000 0.436 485 A N 1.282 123.911 122.820 -0.318 0.000 2.515 485 A HA 0.594 4.912 4.320 -0.003 0.000 0.292 485 A C 0.493 177.756 177.584 -0.536 0.000 1.065 485 A CA 0.003 51.666 52.037 -0.623 0.000 0.641 485 A CB 0.233 18.421 19.000 -1.354 0.000 1.306 485 A HN 0.490 nan 8.150 nan 0.000 0.441 486 A N -0.592 121.927 122.820 -0.500 0.000 1.940 486 A HA -0.045 4.273 4.320 -0.003 0.000 0.219 486 A C 1.539 179.113 177.584 -0.016 0.000 1.176 486 A CA 2.330 54.285 52.037 -0.136 0.000 0.631 486 A CB -1.027 18.002 19.000 0.049 0.000 0.814 486 A HN 1.898 nan 8.150 nan 0.000 0.446 487 W N 0.107 121.339 121.300 -0.114 0.000 2.961 487 W HA 0.228 4.887 4.660 -0.002 0.000 0.240 487 W C 0.378 176.989 176.519 0.153 0.000 1.305 487 W CA -0.171 57.028 57.345 -0.244 0.000 1.465 487 W CB -0.514 28.669 29.460 -0.462 0.000 1.135 487 W HN 0.129 nan 8.180 nan 0.000 0.688 488 Q N 1.300 121.278 119.800 0.297 0.000 2.340 488 Q HA 0.200 4.538 4.340 -0.003 0.000 0.249 488 Q C 0.111 176.338 176.000 0.378 0.000 0.957 488 Q CA -0.422 55.625 55.803 0.407 0.000 0.882 488 Q CB 2.366 31.230 28.738 0.209 0.000 1.235 488 Q HN -0.081 nan 8.270 nan 0.000 0.439 489 V N 3.281 123.428 119.914 0.389 0.000 2.655 489 V HA -0.029 4.090 4.120 -0.003 0.000 0.300 489 V C 0.439 176.616 176.094 0.139 0.000 1.044 489 V CA 0.225 62.691 62.300 0.276 0.000 1.095 489 V CB 0.836 32.736 31.823 0.129 0.000 0.952 489 V HN 0.639 nan 8.190 nan 0.000 0.485 490 Q N 3.290 123.178 119.800 0.147 0.000 2.445 490 Q HA 0.569 4.907 4.340 -0.003 0.000 0.281 490 Q C -0.753 175.288 176.000 0.069 0.000 1.101 490 Q CA -0.925 54.925 55.803 0.079 0.000 0.833 490 Q CB 2.306 31.092 28.738 0.079 0.000 1.416 490 Q HN 0.605 nan 8.270 nan 0.000 0.451 491 K N -0.193 120.228 120.400 0.034 0.000 2.109 491 K HA 0.574 4.892 4.320 -0.003 0.000 0.243 491 K C 0.593 177.218 176.600 0.040 0.000 1.006 491 K CA 0.122 56.428 56.287 0.033 0.000 0.917 491 K CB 0.651 33.155 32.500 0.006 0.000 1.081 491 K HN 0.810 nan 8.250 nan 0.000 0.468 492 G N 0.591 109.419 108.800 0.046 0.000 2.596 492 G HA2 -0.344 3.615 3.960 -0.003 0.000 0.295 492 G HA3 -0.344 3.615 3.960 -0.003 0.000 0.295 492 G C 0.540 175.471 174.900 0.051 0.000 1.240 492 G CA 0.094 45.223 45.100 0.048 0.000 0.985 492 G HN 0.769 nan 8.290 nan 0.000 0.555 493 G N -0.459 108.362 108.800 0.035 0.000 3.609 493 G HA2 0.496 4.454 3.960 -0.003 0.000 0.280 493 G HA3 0.496 4.454 3.960 -0.003 0.000 0.280 493 G C 0.951 175.856 174.900 0.008 0.000 1.155 493 G CA 0.867 45.978 45.100 0.019 0.000 0.876 493 G HN 0.638 nan 8.290 nan 0.000 0.535 494 K N 0.081 120.495 120.400 0.022 0.000 2.404 494 K HA 0.059 4.378 4.320 -0.003 0.000 0.194 494 K C 0.120 176.745 176.600 0.042 0.000 1.023 494 K CA -0.245 56.055 56.287 0.021 0.000 1.094 494 K CB 0.246 32.759 32.500 0.021 0.000 0.841 494 K HN 0.230 nan 8.250 nan 0.000 0.523 495 N N 1.333 120.070 118.700 0.061 0.000 2.468 495 N HA -0.049 4.689 4.740 -0.003 0.000 0.265 495 N C 0.748 176.299 175.510 0.067 0.000 1.199 495 N CA 0.280 53.394 53.050 0.107 0.000 0.928 495 N CB 0.957 39.529 38.487 0.141 0.000 1.059 495 N HN 0.106 nan 8.380 nan 0.000 0.467 496 T N -1.188 113.432 114.554 0.110 0.000 3.023 496 T HA 0.263 4.611 4.350 -0.003 0.000 0.253 496 T C -0.069 174.546 174.700 -0.142 0.000 1.038 496 T CA 0.101 62.196 62.100 -0.009 0.000 0.962 496 T CB -0.060 68.819 68.868 0.019 0.000 1.018 496 T HN 0.192 nan 8.240 nan 0.000 0.521 497 F N 0.469 120.468 119.950 0.082 0.000 2.576 497 F HA 0.719 5.244 4.527 -0.003 0.000 0.313 497 F C -0.755 175.118 175.800 0.122 0.000 1.078 497 F CA -1.306 56.742 58.000 0.080 0.000 0.921 497 F CB 2.434 41.478 39.000 0.072 0.000 1.232 497 F HN -0.122 nan 8.300 nan 0.000 0.459 498 V N 3.488 123.555 119.914 0.255 0.000 2.638 498 V HA 0.494 4.613 4.120 -0.003 0.000 0.306 498 V C -1.566 174.640 176.094 0.187 0.000 1.052 498 V CA -0.705 61.751 62.300 0.261 0.000 0.885 498 V CB 1.593 33.519 31.823 0.171 0.000 0.999 498 V HN 0.570 nan 8.190 nan 0.000 0.424 499 Y N 6.578 127.042 120.300 0.273 0.000 2.335 499 Y HA 0.340 4.889 4.550 -0.003 0.000 0.331 499 Y C 1.060 177.081 175.900 0.201 0.000 1.094 499 Y CA -0.110 58.148 58.100 0.263 0.000 1.253 499 Y CB 0.725 39.400 38.460 0.359 0.000 1.203 499 Y HN 0.831 nan 8.280 nan 0.000 0.508 500 N N 0.370 119.229 118.700 0.264 0.000 2.322 500 N HA -0.043 4.696 4.740 -0.003 0.000 0.270 500 N C 0.954 176.702 175.510 0.398 0.000 1.286 500 N CA 0.252 53.461 53.050 0.265 0.000 0.948 500 N CB 0.614 39.250 38.487 0.249 0.000 1.164 500 N HN 0.632 nan 8.380 nan 0.000 0.551 501 T N -1.341 113.498 114.554 0.475 0.000 3.113 501 T HA -0.082 4.266 4.350 -0.003 0.000 0.263 501 T C 0.744 175.545 174.700 0.168 0.000 1.143 501 T CA 0.878 63.165 62.100 0.311 0.000 1.090 501 T CB -0.245 68.718 68.868 0.157 0.000 0.922 501 T HN 0.619 nan 8.240 nan 0.000 0.521 502 E N 0.140 120.398 120.200 0.097 0.000 2.496 502 E HA 0.560 4.909 4.350 -0.003 0.000 0.200 502 E C 0.771 177.222 176.600 -0.247 0.000 1.016 502 E CA 0.469 56.832 56.400 -0.061 0.000 0.962 502 E CB -0.385 29.260 29.700 -0.092 0.000 1.071 502 E HN 0.324 nan 8.360 nan 0.000 0.457 503 A N 0.722 123.554 122.820 0.020 0.000 2.860 503 A HA -0.206 4.112 4.320 -0.003 0.000 0.267 503 A C -0.542 177.053 177.584 0.018 0.000 1.421 503 A CA 1.000 53.082 52.037 0.076 0.000 0.831 503 A CB -2.417 16.409 19.000 -0.291 0.000 1.041 503 A HN 0.451 nan 8.150 nan 0.000 0.623 504 H N -0.590 118.572 119.070 0.154 0.000 2.594 504 H HA 0.412 4.967 4.556 -0.003 0.000 0.304 504 H C -2.786 172.473 175.328 -0.115 0.000 1.068 504 H CA -2.042 54.013 56.048 0.011 0.000 1.308 504 H CB 0.666 30.444 29.762 0.027 0.000 1.409 504 H HN 0.248 nan 8.280 nan 0.000 0.460 505 P HA 0.042 nan 4.420 nan 0.000 0.271 505 P C -0.149 177.216 177.300 0.108 0.000 1.233 505 P CA 0.023 62.873 63.100 -0.416 0.000 0.764 505 P CB 0.570 31.906 31.700 -0.606 0.000 0.825 506 I N 1.909 122.587 120.570 0.180 0.000 2.441 506 I HA 0.220 4.389 4.170 -0.003 0.000 0.295 506 I C 0.784 176.958 176.117 0.096 0.000 0.994 506 I CA -0.671 60.741 61.300 0.186 0.000 1.144 506 I CB 1.583 39.628 38.000 0.076 0.000 1.314 506 I HN 0.231 nan 8.210 nan 0.000 0.445 507 S N 5.189 120.804 115.700 -0.142 0.000 2.549 507 S HA 0.328 4.797 4.470 -0.003 0.000 0.279 507 S C 0.204 174.673 174.600 -0.219 0.000 1.321 507 S CA -0.626 57.200 58.200 -0.623 0.000 1.054 507 S CB 0.540 63.424 63.200 -0.526 0.000 0.899 507 S HN 0.410 nan 8.310 nan 0.000 0.497 508 V N 3.302 123.024 119.914 -0.320 0.000 3.185 508 V HA 0.730 4.848 4.120 -0.003 0.000 0.305 508 V C 0.821 176.589 176.094 -0.543 0.000 1.090 508 V CA -0.554 61.514 62.300 -0.388 0.000 1.107 508 V CB -0.350 31.288 31.823 -0.308 0.000 1.061 508 V HN 1.095 nan 8.190 nan 0.000 0.480 509 A N 3.130 125.385 122.820 -0.941 0.000 2.466 509 A HA 0.648 4.966 4.320 -0.003 0.000 0.238 509 A C 0.656 178.051 177.584 -0.315 0.000 1.074 509 A CA 0.064 51.741 52.037 -0.600 0.000 0.774 509 A CB -0.183 18.434 19.000 -0.638 0.000 1.015 509 A HN 1.222 nan 8.150 nan 0.000 0.498 510 R N 0.000 120.383 120.500 -0.195 0.000 2.786 510 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 510 R CA 0.000 56.021 56.100 -0.131 0.000 0.921 510 R CB 0.000 30.218 30.300 -0.136 0.000 0.687 510 R HN 0.000 nan 8.270 nan 0.000 0.535