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 2nww_1_A DATA FIRST_RESID 10 DATA SEQUENCE YPVLQKILIG LILGAIVGLI LGHYGYAHAV HTYVKPFGDL FVRLLKMLVM DATA SEQUENCE PIVFASLVVG AASISPARLG RVGVKIVVYY LLTSAFAVTL GIIMARLFNP DATA SEQUENCE GAGIHLAVGG QQFQPHQAPP LVHILLDIVP TNPFGALANG QVLPTIFFAI DATA SEQUENCE ILGIAITYLM NSENEKVRKS AETLLDAING LAEAMYKIVN GVMQYAPIGV DATA SEQUENCE FALIAYVMAE QGVHVVGELA KVTAAVYVGL TLQILLVYFV LLKIYGIDPI DATA SEQUENCE SFIKHAKDAM LTAFVTRSSS GTLPVTMRVA KEMGISEGIY SFTLPLGATI DATA SEQUENCE NMDGTALYQG VCTFFIANAL GSHLTVGQQL TIVLTAVLAS IGTAGVPGAG DATA SEQUENCE AIMLAMVLHS VGLPLTDPNV AAAYAMILGI DAILDMGRTM VNVTGDLTGT DATA SEQUENCE AIVAKTE 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.884 175.900 -0.026 0.000 1.272 10 Y CA 0.000 58.085 58.100 -0.025 0.000 1.940 10 Y CB 0.000 38.445 38.460 -0.025 0.000 1.050 11 P HA -0.155 nan 4.420 nan 0.000 0.217 11 P C 0.222 177.547 177.300 0.043 0.000 1.162 11 P CA 2.228 65.364 63.100 0.060 0.000 0.901 11 P CB -0.211 31.509 31.700 0.034 0.000 0.793 12 V N -1.681 118.258 119.914 0.041 0.000 3.656 12 V HA -0.260 3.753 4.120 -0.179 0.000 0.521 12 V C 0.908 177.000 176.094 -0.003 0.000 0.682 12 V CA 0.752 63.065 62.300 0.021 0.000 2.078 12 V CB -1.659 30.193 31.823 0.047 0.000 2.490 12 V HN 0.327 nan 8.190 nan 0.000 0.514 13 L N -0.061 121.151 121.223 -0.018 0.000 4.988 13 L HA -0.312 3.921 4.340 -0.179 0.000 0.439 13 L C 1.391 178.246 176.870 -0.026 0.000 1.080 13 L CA 2.644 57.470 54.840 -0.024 0.000 1.018 13 L CB -1.970 40.075 42.059 -0.023 0.000 1.945 13 L HN 2.399 nan 8.230 nan 0.000 0.782 14 Q N -0.750 119.035 119.800 -0.024 0.000 2.254 14 Q HA 0.385 4.618 4.340 -0.179 0.000 0.259 14 Q C 2.065 178.046 176.000 -0.033 0.000 0.815 14 Q CA 1.030 56.818 55.803 -0.024 0.000 0.961 14 Q CB 0.102 28.831 28.738 -0.016 0.000 1.140 14 Q HN 0.514 nan 8.270 nan 0.000 0.502 15 K N 0.431 120.807 120.400 -0.040 0.000 2.288 15 K HA 0.271 4.483 4.320 -0.179 0.000 0.201 15 K C 1.987 178.538 176.600 -0.082 0.000 1.048 15 K CA 1.112 57.359 56.287 -0.067 0.000 0.956 15 K CB -0.465 31.985 32.500 -0.082 0.000 0.746 15 K HN 0.515 nan 8.250 nan 0.000 0.461 16 I N 0.706 121.233 120.570 -0.073 0.000 2.142 16 I HA -0.192 3.871 4.170 -0.179 0.000 0.240 16 I C 2.386 178.478 176.117 -0.043 0.000 1.078 16 I CA 1.128 62.382 61.300 -0.075 0.000 1.343 16 I CB -0.101 37.859 38.000 -0.067 0.000 1.046 16 I HN 0.225 nan 8.210 nan 0.000 0.405 17 L N -0.169 121.034 121.223 -0.033 0.000 2.079 17 L HA -0.235 3.998 4.340 -0.179 0.000 0.210 17 L C 2.769 179.631 176.870 -0.013 0.000 1.081 17 L CA 1.652 56.480 54.840 -0.021 0.000 0.752 17 L CB -0.912 41.133 42.059 -0.024 0.000 0.896 17 L HN 0.381 nan 8.230 nan 0.000 0.433 18 I N -0.647 119.907 120.570 -0.026 0.000 2.493 18 I HA -0.056 4.006 4.170 -0.179 0.000 0.254 18 I C 2.453 178.556 176.117 -0.023 0.000 1.160 18 I CA 2.057 63.339 61.300 -0.030 0.000 1.445 18 I CB -1.805 36.165 38.000 -0.050 0.000 1.086 18 I HN 0.341 nan 8.210 nan 0.000 0.433 19 G N -0.584 108.204 108.800 -0.019 0.000 2.426 19 G HA2 -0.004 3.849 3.960 -0.179 0.000 0.214 19 G HA3 -0.004 3.849 3.960 -0.179 0.000 0.214 19 G C 1.682 176.665 174.900 0.138 0.000 1.156 19 G CA 0.897 46.018 45.100 0.036 0.000 0.802 19 G HN 0.591 nan 8.290 nan 0.000 0.534 20 L N 0.788 122.060 121.223 0.081 0.000 1.994 20 L HA -0.047 4.185 4.340 -0.179 0.000 0.208 20 L C 2.636 179.567 176.870 0.102 0.000 1.071 20 L CA 1.449 56.346 54.840 0.096 0.000 0.745 20 L CB -0.190 41.905 42.059 0.061 0.000 0.892 20 L HN 0.069 nan 8.230 nan 0.000 0.431 21 I N -0.498 120.113 120.570 0.069 0.000 2.179 21 I HA -0.295 3.767 4.170 -0.179 0.000 0.242 21 I C 2.546 178.714 176.117 0.085 0.000 1.088 21 I CA 1.350 62.688 61.300 0.064 0.000 1.357 21 I CB -1.534 36.487 38.000 0.035 0.000 1.051 21 I HN 0.368 nan 8.210 nan 0.000 0.409 22 L N 1.211 122.489 121.223 0.092 0.000 2.046 22 L HA -0.129 4.104 4.340 -0.179 0.000 0.208 22 L C 2.406 179.410 176.870 0.223 0.000 1.077 22 L CA 2.204 57.111 54.840 0.113 0.000 0.747 22 L CB -1.192 40.898 42.059 0.052 0.000 0.896 22 L HN 0.271 nan 8.230 nan 0.000 0.432 23 G N -1.059 107.933 108.800 0.321 0.000 2.408 23 G HA2 -0.189 3.663 3.960 -0.179 0.000 0.217 23 G HA3 -0.189 3.663 3.960 -0.179 0.000 0.217 23 G C 1.667 176.631 174.900 0.106 0.000 1.150 23 G CA 0.714 45.989 45.100 0.291 0.000 0.776 23 G HN 0.554 nan 8.290 nan 0.000 0.542 24 A N 0.659 123.544 122.820 0.109 0.000 1.930 24 A HA 0.120 4.333 4.320 -0.179 0.000 0.217 24 A C 2.353 179.986 177.584 0.083 0.000 1.175 24 A CA 1.132 53.222 52.037 0.088 0.000 0.627 24 A CB -0.265 18.798 19.000 0.105 0.000 0.815 24 A HN 0.379 nan 8.150 nan 0.000 0.443 25 I N -1.278 119.346 120.570 0.090 0.000 2.333 25 I HA -0.115 3.948 4.170 -0.179 0.000 0.246 25 I C 2.245 178.413 176.117 0.085 0.000 1.106 25 I CA 0.732 62.080 61.300 0.080 0.000 1.411 25 I CB -0.192 37.849 38.000 0.068 0.000 1.082 25 I HN 0.173 nan 8.210 nan 0.000 0.420 26 V N 1.027 121.006 119.914 0.108 0.000 2.809 26 V HA -0.075 3.938 4.120 -0.179 0.000 0.256 26 V C 2.204 178.350 176.094 0.086 0.000 1.080 26 V CA 1.953 64.320 62.300 0.113 0.000 1.102 26 V CB -0.410 31.529 31.823 0.194 0.000 0.705 26 V HN 0.509 nan 8.190 nan 0.000 0.475 27 G N -0.623 108.213 108.800 0.061 0.000 2.404 27 G HA2 -0.168 3.685 3.960 -0.179 0.000 0.213 27 G HA3 -0.168 3.685 3.960 -0.179 0.000 0.213 27 G C 1.427 176.363 174.900 0.060 0.000 1.189 27 G CA 0.784 45.906 45.100 0.036 0.000 0.796 27 G HN 0.411 nan 8.290 nan 0.000 0.532 28 L N 0.325 121.590 121.223 0.070 0.000 2.081 28 L HA -0.012 4.220 4.340 -0.179 0.000 0.212 28 L C 2.633 179.590 176.870 0.145 0.000 1.080 28 L CA 1.233 56.134 54.840 0.101 0.000 0.754 28 L CB -0.400 41.718 42.059 0.099 0.000 0.893 28 L HN 0.157 nan 8.230 nan 0.000 0.433 29 I N -1.483 119.160 120.570 0.122 0.000 2.315 29 I HA -0.263 3.800 4.170 -0.179 0.000 0.248 29 I C 2.217 178.436 176.117 0.171 0.000 1.117 29 I CA 1.184 62.564 61.300 0.133 0.000 1.404 29 I CB -0.241 37.798 38.000 0.065 0.000 1.071 29 I HN 0.148 nan 8.210 nan 0.000 0.419 30 L N -0.586 120.724 121.223 0.143 0.000 2.217 30 L HA -0.059 4.173 4.340 -0.179 0.000 0.211 30 L C 2.424 179.431 176.870 0.228 0.000 1.107 30 L CA 1.078 56.035 54.840 0.195 0.000 0.783 30 L CB -0.987 41.161 42.059 0.148 0.000 0.919 30 L HN 0.351 nan 8.230 nan 0.000 0.442 31 G N -1.441 107.452 108.800 0.154 0.000 2.434 31 G HA2 -0.247 3.606 3.960 -0.179 0.000 0.214 31 G HA3 -0.247 3.606 3.960 -0.179 0.000 0.214 31 G C 1.301 176.246 174.900 0.075 0.000 1.202 31 G CA 0.215 45.365 45.100 0.082 0.000 0.788 31 G HN 0.346 nan 8.290 nan 0.000 0.539 32 H N -1.186 117.951 119.070 0.111 0.000 2.562 32 H HA 0.091 4.545 4.556 -0.171 0.000 0.272 32 H C 0.542 175.936 175.328 0.110 0.000 1.019 32 H CA 0.483 56.584 56.048 0.088 0.000 1.160 32 H CB 0.203 30.016 29.762 0.085 0.000 1.334 32 H HN 0.473 nan 8.280 nan 0.000 0.611 33 Y N -1.309 119.072 120.300 0.134 0.000 2.527 33 Y HA 0.227 4.667 4.550 -0.182 0.000 0.247 33 Y C 1.677 177.587 175.900 0.017 0.000 1.138 33 Y CA 0.499 58.673 58.100 0.123 0.000 1.228 33 Y CB 1.187 39.766 38.460 0.198 0.000 1.252 33 Y HN 0.272 nan 8.280 nan 0.000 0.531 34 G N -0.431 108.402 108.800 0.054 0.000 2.234 34 G HA2 -0.344 3.509 3.960 -0.179 0.000 0.235 34 G HA3 -0.344 3.509 3.960 -0.179 0.000 0.235 34 G C 0.244 175.034 174.900 -0.183 0.000 0.997 34 G CA 0.078 45.091 45.100 -0.145 0.000 0.623 34 G HN 0.354 nan 8.290 nan 0.000 0.514 35 Y N 1.747 122.119 120.300 0.121 0.000 2.873 35 Y HA 0.519 4.961 4.550 -0.181 0.000 0.375 35 Y C 2.271 178.235 175.900 0.105 0.000 1.070 35 Y CA 0.507 58.672 58.100 0.109 0.000 1.644 35 Y CB -0.107 38.410 38.460 0.096 0.000 1.495 35 Y HN 0.415 nan 8.280 nan 0.000 0.494 36 A N -0.590 122.332 122.820 0.170 0.000 1.873 36 A HA -0.222 3.991 4.320 -0.179 0.000 0.215 36 A C 1.482 179.186 177.584 0.200 0.000 1.186 36 A CA 1.587 53.704 52.037 0.134 0.000 0.616 36 A CB -0.498 18.541 19.000 0.064 0.000 0.823 36 A HN 0.573 nan 8.150 nan 0.000 0.442 37 H N -0.787 118.362 119.070 0.133 0.000 2.556 37 H HA 0.357 4.800 4.556 -0.189 0.000 0.268 37 H C 1.991 177.466 175.328 0.246 0.000 0.996 37 H CA 0.582 56.740 56.048 0.184 0.000 1.157 37 H CB 0.079 29.899 29.762 0.097 0.000 1.355 37 H HN 0.504 nan 8.280 nan 0.000 0.597 38 A N -0.437 122.577 122.820 0.322 0.000 1.903 38 A HA -0.037 4.176 4.320 -0.179 0.000 0.213 38 A C 2.359 180.099 177.584 0.260 0.000 1.185 38 A CA 0.934 53.147 52.037 0.294 0.000 0.628 38 A CB -0.447 18.730 19.000 0.295 0.000 0.830 38 A HN 0.249 nan 8.150 nan 0.000 0.446 39 V N 0.103 120.160 119.914 0.237 0.000 2.515 39 V HA -0.252 3.761 4.120 -0.179 0.000 0.250 39 V C 2.457 178.684 176.094 0.221 0.000 1.058 39 V CA 2.030 64.460 62.300 0.217 0.000 1.064 39 V CB -1.032 30.914 31.823 0.204 0.000 0.675 39 V HN 0.787 nan 8.190 nan 0.000 0.461 40 H N 0.655 119.811 119.070 0.143 0.000 2.423 40 H HA -0.118 4.335 4.556 -0.173 0.000 0.297 40 H C 1.780 177.048 175.328 -0.100 0.000 1.075 40 H CA 1.774 57.800 56.048 -0.037 0.000 1.342 40 H CB 0.202 29.887 29.762 -0.128 0.000 1.395 40 H HN 0.538 nan 8.280 nan 0.000 0.530 41 T N -2.098 112.448 114.554 -0.013 0.000 3.223 41 T HA 0.199 4.441 4.350 -0.179 0.000 0.259 41 T C 0.404 175.043 174.700 -0.102 0.000 1.015 41 T CA -0.316 61.733 62.100 -0.086 0.000 0.908 41 T CB 0.012 68.930 68.868 0.084 0.000 1.054 41 T HN 0.263 nan 8.240 nan 0.000 0.567 42 Y N -1.566 118.647 120.300 -0.145 0.000 3.213 42 Y HA 0.116 4.557 4.550 -0.183 0.000 0.208 42 Y C 2.079 177.869 175.900 -0.183 0.000 1.044 42 Y CA 0.086 58.109 58.100 -0.128 0.000 1.520 42 Y CB 0.831 39.281 38.460 -0.017 0.000 1.447 42 Y HN 0.010 nan 8.280 nan 0.000 0.393 43 V N 0.851 120.825 119.914 0.101 0.000 2.407 43 V HA -0.178 3.834 4.120 -0.179 0.000 0.245 43 V C 2.092 178.146 176.094 -0.066 0.000 1.041 43 V CA 1.988 64.338 62.300 0.084 0.000 1.040 43 V CB -0.469 31.398 31.823 0.074 0.000 0.671 43 V HN 0.220 nan 8.190 nan 0.000 0.455 44 K N 0.594 120.902 120.400 -0.154 0.000 2.074 44 K HA -0.219 3.994 4.320 -0.179 0.000 0.209 44 K C -0.115 176.332 176.600 -0.253 0.000 1.048 44 K CA 2.104 58.234 56.287 -0.261 0.000 0.926 44 K CB -1.148 31.028 32.500 -0.540 0.000 0.713 44 K HN 0.390 nan 8.250 nan 0.000 0.444 45 P HA -0.167 nan 4.420 nan 0.000 0.216 45 P C 0.855 178.072 177.300 -0.138 0.000 1.153 45 P CA 1.494 64.402 63.100 -0.320 0.000 0.858 45 P CB -0.116 31.299 31.700 -0.474 0.000 0.789 46 F N -0.724 119.265 119.950 0.064 0.000 2.171 46 F HA -0.105 4.314 4.527 -0.179 0.000 0.300 46 F C 2.585 178.504 175.800 0.199 0.000 1.090 46 F CA 0.947 59.060 58.000 0.189 0.000 1.293 46 F CB -1.266 37.853 39.000 0.199 0.000 1.013 46 F HN -0.025 nan 8.300 nan 0.000 0.486 47 G N -0.413 108.532 108.800 0.242 0.000 2.422 47 G HA2 -0.194 3.659 3.960 -0.179 0.000 0.218 47 G HA3 -0.194 3.659 3.960 -0.179 0.000 0.218 47 G C 1.288 176.306 174.900 0.197 0.000 1.140 47 G CA 0.958 46.167 45.100 0.182 0.000 0.775 47 G HN 0.233 nan 8.290 nan 0.000 0.545 48 D N 0.228 120.690 120.400 0.103 0.000 2.103 48 D HA -0.069 4.464 4.640 -0.179 0.000 0.199 48 D C 2.454 178.829 176.300 0.125 0.000 0.978 48 D CA 0.412 54.446 54.000 0.055 0.000 0.829 48 D CB -0.319 40.456 40.800 -0.041 0.000 0.981 48 D HN 0.153 nan 8.370 nan 0.000 0.464 49 L N 1.002 122.343 121.223 0.198 0.000 2.064 49 L HA -0.226 4.007 4.340 -0.179 0.000 0.216 49 L C 2.141 179.206 176.870 0.326 0.000 1.077 49 L CA 1.457 56.432 54.840 0.226 0.000 0.766 49 L CB -0.995 41.221 42.059 0.263 0.000 0.890 49 L HN -0.030 nan 8.230 nan 0.000 0.435 50 F N -0.684 119.492 119.950 0.377 0.000 2.095 50 F HA -0.191 4.226 4.527 -0.184 0.000 0.298 50 F C 2.155 178.047 175.800 0.153 0.000 1.104 50 F CA 2.022 60.218 58.000 0.327 0.000 1.232 50 F CB -0.727 38.385 39.000 0.187 0.000 0.987 50 F HN -0.051 nan 8.300 nan 0.000 0.475 51 V N 1.319 121.155 119.914 -0.130 0.000 2.548 51 V HA -0.171 3.842 4.120 -0.179 0.000 0.249 51 V C 2.549 178.546 176.094 -0.161 0.000 1.055 51 V CA 1.584 63.719 62.300 -0.274 0.000 1.065 51 V CB -0.708 31.041 31.823 -0.124 0.000 0.681 51 V HN 0.247 nan 8.190 nan 0.000 0.462 52 R N 0.048 120.510 120.500 -0.063 0.000 2.075 52 R HA -0.017 4.216 4.340 -0.179 0.000 0.232 52 R C 2.289 178.561 176.300 -0.047 0.000 1.126 52 R CA 1.185 57.259 56.100 -0.044 0.000 0.963 52 R CB -0.697 29.594 30.300 -0.015 0.000 0.858 52 R HN 0.409 nan 8.270 nan 0.000 0.435 53 L N 0.806 122.013 121.223 -0.026 0.000 2.083 53 L HA -0.167 4.065 4.340 -0.179 0.000 0.209 53 L C 2.485 179.327 176.870 -0.046 0.000 1.083 53 L CA 1.108 55.943 54.840 -0.010 0.000 0.752 53 L CB -0.333 41.765 42.059 0.065 0.000 0.899 53 L HN 0.142 nan 8.230 nan 0.000 0.433 54 L N -0.771 120.374 121.223 -0.131 0.000 2.044 54 L HA -0.198 4.034 4.340 -0.179 0.000 0.205 54 L C 2.555 179.366 176.870 -0.098 0.000 1.075 54 L CA 1.258 56.012 54.840 -0.144 0.000 0.747 54 L CB -0.478 41.410 42.059 -0.284 0.000 0.903 54 L HN 0.163 nan 8.230 nan 0.000 0.435 55 K N -0.152 120.187 120.400 -0.102 0.000 2.211 55 K HA -0.228 3.984 4.320 -0.179 0.000 0.204 55 K C 2.101 178.675 176.600 -0.043 0.000 1.047 55 K CA 1.421 57.668 56.287 -0.066 0.000 0.935 55 K CB -0.159 32.303 32.500 -0.063 0.000 0.728 55 K HN 0.291 nan 8.250 nan 0.000 0.452 56 M N 0.891 120.467 119.600 -0.041 0.000 2.149 56 M HA -0.193 4.180 4.480 -0.179 0.000 0.261 56 M C 1.496 177.784 176.300 -0.020 0.000 1.064 56 M CA 1.661 56.946 55.300 -0.026 0.000 1.102 56 M CB 0.021 32.608 32.600 -0.021 0.000 1.369 56 M HN 0.101 nan 8.290 nan 0.000 0.408 57 L N -1.128 120.077 121.223 -0.029 0.000 2.307 57 L HA -0.028 4.204 4.340 -0.179 0.000 0.211 57 L C 2.259 179.112 176.870 -0.029 0.000 1.099 57 L CA -0.037 54.783 54.840 -0.033 0.000 0.816 57 L CB -0.706 41.321 42.059 -0.053 0.000 0.952 57 L HN 0.100 nan 8.230 nan 0.000 0.455 58 V N -0.105 119.796 119.914 -0.022 0.000 2.380 58 V HA -0.312 3.701 4.120 -0.179 0.000 0.251 58 V C 2.649 178.758 176.094 0.025 0.000 1.063 58 V CA 1.692 63.988 62.300 -0.005 0.000 1.055 58 V CB -0.479 31.342 31.823 -0.004 0.000 0.657 58 V HN 0.388 nan 8.190 nan 0.000 0.455 59 M N -0.723 118.895 119.600 0.029 0.000 2.160 59 M HA 0.028 4.401 4.480 -0.179 0.000 0.264 59 M C 0.193 176.555 176.300 0.103 0.000 1.073 59 M CA 1.588 56.923 55.300 0.058 0.000 1.142 59 M CB -2.339 30.282 32.600 0.034 0.000 1.358 59 M HN 0.276 nan 8.290 nan 0.000 0.422 60 P HA -0.132 nan 4.420 nan 0.000 0.214 60 P C 1.949 179.321 177.300 0.119 0.000 1.163 60 P CA 1.390 64.568 63.100 0.130 0.000 0.883 60 P CB -0.067 31.680 31.700 0.078 0.000 0.788 61 I N -0.859 119.728 120.570 0.027 0.000 2.335 61 I HA -0.208 3.855 4.170 -0.179 0.000 0.251 61 I C 2.143 178.279 176.117 0.032 0.000 1.129 61 I CA 1.201 62.473 61.300 -0.045 0.000 1.402 61 I CB -0.059 37.828 38.000 -0.188 0.000 1.069 61 I HN -0.212 nan 8.210 nan 0.000 0.424 62 V N 0.171 120.138 119.914 0.089 0.000 2.346 62 V HA -0.274 3.739 4.120 -0.179 0.000 0.244 62 V C 2.082 178.282 176.094 0.176 0.000 1.037 62 V CA 1.867 64.244 62.300 0.128 0.000 1.029 62 V CB -0.591 31.312 31.823 0.134 0.000 0.663 62 V HN 0.449 nan 8.190 nan 0.000 0.454 63 F N 1.454 121.449 119.950 0.074 0.000 2.084 63 F HA -0.078 4.341 4.527 -0.180 0.000 0.296 63 F C 2.228 178.073 175.800 0.075 0.000 1.111 63 F CA 1.446 59.502 58.000 0.094 0.000 1.224 63 F CB -0.758 38.314 39.000 0.119 0.000 0.991 63 F HN 0.071 nan 8.300 nan 0.000 0.471 64 A N -0.273 122.540 122.820 -0.011 0.000 1.835 64 A HA -0.141 4.071 4.320 -0.179 0.000 0.215 64 A C 1.871 179.387 177.584 -0.114 0.000 1.199 64 A CA 1.642 53.606 52.037 -0.122 0.000 0.615 64 A CB -1.433 17.597 19.000 0.050 0.000 0.838 64 A HN 0.316 nan 8.150 nan 0.000 0.444 65 S N -0.312 115.391 115.700 0.006 0.000 3.870 65 S HA 0.321 4.683 4.470 -0.179 0.000 0.198 65 S C 0.291 174.858 174.600 -0.055 0.000 1.336 65 S CA 0.548 58.767 58.200 0.031 0.000 1.049 65 S CB -0.086 63.231 63.200 0.195 0.000 1.412 65 S HN 0.509 nan 8.310 nan 0.000 0.448 66 L N 0.071 121.219 121.223 -0.126 0.000 3.094 66 L HA 0.167 4.400 4.340 -0.179 0.000 0.338 66 L C 1.378 178.128 176.870 -0.200 0.000 1.018 66 L CA 0.773 55.536 54.840 -0.128 0.000 1.520 66 L CB -0.383 41.648 42.059 -0.047 0.000 2.533 66 L HN 0.219 nan 8.230 nan 0.000 0.576 67 V N -0.271 119.454 119.914 -0.316 0.000 2.307 67 V HA -0.183 3.829 4.120 -0.179 0.000 0.245 67 V C 2.293 178.260 176.094 -0.211 0.000 1.045 67 V CA 1.990 64.092 62.300 -0.330 0.000 1.024 67 V CB -0.601 30.936 31.823 -0.476 0.000 0.651 67 V HN 0.257 nan 8.190 nan 0.000 0.449 68 V N 1.203 121.011 119.914 -0.177 0.000 2.358 68 V HA -0.148 3.864 4.120 -0.179 0.000 0.246 68 V C 2.661 178.691 176.094 -0.107 0.000 1.047 68 V CA 2.112 64.345 62.300 -0.111 0.000 1.035 68 V CB -1.451 30.330 31.823 -0.070 0.000 0.658 68 V HN 0.608 nan 8.190 nan 0.000 0.452 69 G N -0.348 108.376 108.800 -0.127 0.000 2.470 69 G HA2 -0.071 3.782 3.960 -0.179 0.000 0.220 69 G HA3 -0.071 3.782 3.960 -0.179 0.000 0.220 69 G C 1.188 176.014 174.900 -0.124 0.000 1.121 69 G CA 0.708 45.725 45.100 -0.138 0.000 0.766 69 G HN 0.649 nan 8.290 nan 0.000 0.553 70 A N 0.087 122.828 122.820 -0.133 0.000 2.579 70 A HA 0.720 4.933 4.320 -0.179 0.000 0.273 70 A C 1.046 178.572 177.584 -0.097 0.000 1.363 70 A CA 0.416 52.375 52.037 -0.129 0.000 0.953 70 A CB -0.248 18.653 19.000 -0.165 0.000 1.034 70 A HN 0.572 nan 8.150 nan 0.000 0.536 71 A N 0.879 123.649 122.820 -0.083 0.000 2.478 71 A HA 0.644 4.856 4.320 -0.179 0.000 0.327 71 A C 0.209 177.761 177.584 -0.054 0.000 1.431 71 A CA 0.285 52.286 52.037 -0.060 0.000 1.014 71 A CB -0.434 18.533 19.000 -0.054 0.000 1.143 71 A HN 1.469 nan 8.150 nan 0.000 0.532 72 S N 2.215 117.885 115.700 -0.049 0.000 2.756 72 S HA 0.177 4.540 4.470 -0.179 0.000 0.295 72 S C -0.736 173.839 174.600 -0.041 0.000 0.945 72 S CA -0.894 57.279 58.200 -0.045 0.000 0.838 72 S CB -0.459 62.710 63.200 -0.053 0.000 1.042 72 S HN 0.834 nan 8.310 nan 0.000 0.467 73 I N 4.503 125.053 120.570 -0.034 0.000 3.138 73 I HA -0.056 4.007 4.170 -0.179 0.000 0.286 73 I C 1.867 177.969 176.117 -0.025 0.000 1.194 73 I CA 0.059 61.342 61.300 -0.028 0.000 1.392 73 I CB -0.784 37.201 38.000 -0.025 0.000 1.476 73 I HN 0.702 nan 8.210 nan 0.000 0.579 74 S N 7.985 123.682 115.700 -0.005 0.000 2.435 74 S HA -0.205 4.158 4.470 -0.179 0.000 0.250 74 S C -0.413 174.164 174.600 -0.038 0.000 1.065 74 S CA 1.912 60.105 58.200 -0.010 0.000 1.243 74 S CB -1.314 61.927 63.200 0.068 0.000 1.158 74 S HN 0.642 nan 8.310 nan 0.000 0.430 75 P HA 0.249 nan 4.420 nan 0.000 0.214 75 P C 1.529 178.815 177.300 -0.023 0.000 1.163 75 P CA 1.402 64.488 63.100 -0.024 0.000 0.881 75 P CB -0.372 31.326 31.700 -0.003 0.000 0.775 76 A N -0.057 122.755 122.820 -0.012 0.000 1.958 76 A HA -0.251 3.962 4.320 -0.179 0.000 0.221 76 A C 2.228 179.806 177.584 -0.010 0.000 1.178 76 A CA 1.800 53.833 52.037 -0.008 0.000 0.642 76 A CB -0.920 18.077 19.000 -0.006 0.000 0.816 76 A HN 0.009 nan 8.150 nan 0.000 0.453 77 R N -0.756 119.731 120.500 -0.021 0.000 2.062 77 R HA 0.196 4.429 4.340 -0.179 0.000 0.213 77 R C 2.208 178.485 176.300 -0.039 0.000 1.214 77 R CA 0.859 56.944 56.100 -0.024 0.000 0.951 77 R CB -1.609 28.672 30.300 -0.031 0.000 0.804 77 R HN 0.489 nan 8.270 nan 0.000 0.473 78 L N 0.539 121.709 121.223 -0.088 0.000 1.991 78 L HA -0.261 3.971 4.340 -0.179 0.000 0.221 78 L C 2.479 179.271 176.870 -0.130 0.000 1.079 78 L CA 2.022 56.756 54.840 -0.177 0.000 0.778 78 L CB -1.216 40.672 42.059 -0.286 0.000 0.893 78 L HN 0.517 nan 8.230 nan 0.000 0.437 79 G N -0.834 107.913 108.800 -0.088 0.000 2.586 79 G HA2 -0.399 3.453 3.960 -0.179 0.000 0.218 79 G HA3 -0.399 3.453 3.960 -0.179 0.000 0.218 79 G C 1.845 176.750 174.900 0.009 0.000 1.216 79 G CA 1.911 46.990 45.100 -0.035 0.000 0.786 79 G HN 0.421 nan 8.290 nan 0.000 0.583 80 R N -0.178 120.328 120.500 0.010 0.000 2.092 80 R HA 0.200 4.432 4.340 -0.179 0.000 0.231 80 R C 2.744 179.069 176.300 0.043 0.000 1.119 80 R CA 1.635 57.752 56.100 0.027 0.000 0.970 80 R CB -1.265 29.048 30.300 0.021 0.000 0.864 80 R HN 0.330 nan 8.270 nan 0.000 0.440 81 V N 0.654 120.596 119.914 0.047 0.000 2.233 81 V HA -0.179 3.833 4.120 -0.179 0.000 0.247 81 V C 2.853 179.041 176.094 0.157 0.000 1.050 81 V CA 2.244 64.596 62.300 0.087 0.000 1.010 81 V CB -1.042 30.846 31.823 0.109 0.000 0.637 81 V HN 0.687 nan 8.190 nan 0.000 0.444 82 G N -0.489 108.465 108.800 0.256 0.000 2.440 82 G HA2 -0.226 3.627 3.960 -0.179 0.000 0.218 82 G HA3 -0.226 3.627 3.960 -0.179 0.000 0.218 82 G C 1.641 176.648 174.900 0.178 0.000 1.154 82 G CA 1.315 46.650 45.100 0.392 0.000 0.767 82 G HN 0.402 nan 8.290 nan 0.000 0.552 83 V N 0.283 120.264 119.914 0.112 0.000 2.626 83 V HA -0.090 3.923 4.120 -0.179 0.000 0.252 83 V C 2.702 178.831 176.094 0.057 0.000 1.067 83 V CA 1.963 64.311 62.300 0.079 0.000 1.081 83 V CB -0.284 31.577 31.823 0.063 0.000 0.686 83 V HN 0.327 nan 8.190 nan 0.000 0.468 84 K N -0.288 120.137 120.400 0.042 0.000 1.991 84 K HA -0.106 4.107 4.320 -0.179 0.000 0.207 84 K C 2.114 178.701 176.600 -0.022 0.000 1.045 84 K CA 1.546 57.844 56.287 0.019 0.000 0.937 84 K CB -0.340 32.161 32.500 0.003 0.000 0.720 84 K HN 0.278 nan 8.250 nan 0.000 0.438 85 I N 1.001 121.504 120.570 -0.112 0.000 2.335 85 I HA -0.250 3.813 4.170 -0.179 0.000 0.251 85 I C 1.823 177.682 176.117 -0.429 0.000 1.129 85 I CA 1.174 62.255 61.300 -0.365 0.000 1.402 85 I CB -0.003 37.721 38.000 -0.460 0.000 1.069 85 I HN -0.057 nan 8.210 nan 0.000 0.424 86 V N -0.600 119.242 119.914 -0.121 0.000 2.307 86 V HA -0.236 3.776 4.120 -0.179 0.000 0.245 86 V C 2.438 178.589 176.094 0.095 0.000 1.045 86 V CA 1.749 64.079 62.300 0.050 0.000 1.024 86 V CB -0.353 31.535 31.823 0.109 0.000 0.651 86 V HN 0.278 nan 8.190 nan 0.000 0.449 87 V N -0.743 119.214 119.914 0.072 0.000 2.343 87 V HA -0.294 3.718 4.120 -0.179 0.000 0.247 87 V C 2.171 178.321 176.094 0.094 0.000 1.051 87 V CA 2.398 64.746 62.300 0.081 0.000 1.036 87 V CB -0.826 31.041 31.823 0.073 0.000 0.654 87 V HN 0.696 nan 8.190 nan 0.000 0.451 88 Y N 0.169 120.453 120.300 -0.027 0.000 2.053 88 Y HA -0.352 4.090 4.550 -0.180 0.000 0.277 88 Y C 2.424 178.400 175.900 0.127 0.000 1.159 88 Y CA 2.034 60.128 58.100 -0.010 0.000 1.125 88 Y CB -0.695 37.683 38.460 -0.137 0.000 0.969 88 Y HN 0.289 nan 8.280 nan 0.000 0.492 89 Y N -0.909 119.471 120.300 0.132 0.000 2.151 89 Y HA -0.314 4.130 4.550 -0.176 0.000 0.284 89 Y C 2.299 178.176 175.900 -0.039 0.000 1.166 89 Y CA 0.735 58.868 58.100 0.056 0.000 1.163 89 Y CB -0.273 38.272 38.460 0.141 0.000 0.974 89 Y HN 0.212 nan 8.280 nan 0.000 0.511 90 L N -0.581 120.740 121.223 0.163 0.000 2.141 90 L HA -0.199 4.033 4.340 -0.179 0.000 0.209 90 L C 2.065 178.949 176.870 0.024 0.000 1.094 90 L CA 1.493 56.384 54.840 0.084 0.000 0.763 90 L CB -0.682 41.423 42.059 0.077 0.000 0.908 90 L HN 0.240 nan 8.230 nan 0.000 0.437 91 L N -1.427 119.792 121.223 -0.007 0.000 2.179 91 L HA -0.113 4.120 4.340 -0.179 0.000 0.208 91 L C 2.478 179.365 176.870 0.028 0.000 1.096 91 L CA 1.355 56.186 54.840 -0.015 0.000 0.779 91 L CB -0.769 41.294 42.059 0.007 0.000 0.922 91 L HN 0.405 nan 8.230 nan 0.000 0.443 92 T N -4.749 109.769 114.554 -0.059 0.000 2.904 92 T HA -0.084 4.158 4.350 -0.179 0.000 0.267 92 T C 1.976 176.712 174.700 0.059 0.000 1.059 92 T CA 1.259 63.349 62.100 -0.017 0.000 1.137 92 T CB -0.208 68.538 68.868 -0.203 0.000 0.879 92 T HN 0.108 nan 8.240 nan 0.000 0.467 93 S N 1.519 117.242 115.700 0.038 0.000 2.406 93 S HA 0.253 4.616 4.470 -0.179 0.000 0.228 93 S C 2.551 177.174 174.600 0.037 0.000 1.020 93 S CA 0.701 58.929 58.200 0.047 0.000 0.965 93 S CB -0.608 62.616 63.200 0.040 0.000 0.798 93 S HN 0.748 nan 8.310 nan 0.000 0.488 94 A N 0.607 123.431 122.820 0.006 0.000 1.930 94 A HA 0.024 4.237 4.320 -0.179 0.000 0.217 94 A C 1.813 179.354 177.584 -0.071 0.000 1.175 94 A CA 1.039 53.043 52.037 -0.055 0.000 0.627 94 A CB -0.799 18.129 19.000 -0.120 0.000 0.815 94 A HN 0.486 nan 8.150 nan 0.000 0.443 95 F N 0.170 120.093 119.950 -0.045 0.000 2.102 95 F HA -0.144 4.275 4.527 -0.181 0.000 0.298 95 F C 2.823 178.592 175.800 -0.052 0.000 1.105 95 F CA 1.095 59.063 58.000 -0.055 0.000 1.239 95 F CB -0.173 38.777 39.000 -0.083 0.000 0.991 95 F HN 0.285 nan 8.300 nan 0.000 0.474 96 A N -0.568 122.347 122.820 0.158 0.000 1.883 96 A HA -0.219 3.993 4.320 -0.179 0.000 0.217 96 A C 2.287 179.910 177.584 0.065 0.000 1.186 96 A CA 1.952 54.038 52.037 0.081 0.000 0.624 96 A CB -1.382 17.657 19.000 0.065 0.000 0.822 96 A HN 0.286 nan 8.150 nan 0.000 0.444 97 V N 0.107 120.053 119.914 0.053 0.000 2.427 97 V HA -0.174 3.839 4.120 -0.179 0.000 0.248 97 V C 2.423 178.527 176.094 0.017 0.000 1.051 97 V CA 2.982 65.304 62.300 0.036 0.000 1.048 97 V CB -0.875 30.967 31.823 0.032 0.000 0.666 97 V HN 0.672 nan 8.190 nan 0.000 0.456 98 T N 0.232 114.794 114.554 0.013 0.000 2.951 98 T HA -0.065 4.178 4.350 -0.179 0.000 0.268 98 T C 1.674 176.383 174.700 0.014 0.000 1.073 98 T CA 1.389 63.487 62.100 -0.003 0.000 1.134 98 T CB -0.184 68.665 68.868 -0.032 0.000 0.884 98 T HN 0.379 nan 8.240 nan 0.000 0.479 99 L N 1.444 122.698 121.223 0.051 0.000 2.313 99 L HA 0.336 4.569 4.340 -0.179 0.000 0.214 99 L C 2.389 179.264 176.870 0.008 0.000 1.119 99 L CA 0.930 55.795 54.840 0.041 0.000 0.809 99 L CB -0.794 41.297 42.059 0.053 0.000 0.933 99 L HN 0.286 nan 8.230 nan 0.000 0.449 100 G N -0.257 108.543 108.800 0.001 0.000 2.394 100 G HA2 -0.154 3.698 3.960 -0.179 0.000 0.214 100 G HA3 -0.154 3.698 3.960 -0.179 0.000 0.214 100 G C 1.454 176.291 174.900 -0.106 0.000 1.176 100 G CA 0.739 45.827 45.100 -0.020 0.000 0.786 100 G HN 0.274 nan 8.290 nan 0.000 0.533 101 I N 0.762 121.242 120.570 -0.149 0.000 2.226 101 I HA -0.074 3.989 4.170 -0.179 0.000 0.245 101 I C 2.659 178.560 176.117 -0.360 0.000 1.100 101 I CA 0.820 61.903 61.300 -0.362 0.000 1.374 101 I CB -0.975 36.895 38.000 -0.216 0.000 1.057 101 I HN 0.052 nan 8.210 nan 0.000 0.413 102 I N 0.067 120.541 120.570 -0.161 0.000 2.361 102 I HA -0.239 3.824 4.170 -0.179 0.000 0.251 102 I C 2.359 178.445 176.117 -0.051 0.000 1.133 102 I CA 1.320 62.565 61.300 -0.092 0.000 1.413 102 I CB -0.371 37.613 38.000 -0.026 0.000 1.073 102 I HN 0.119 nan 8.210 nan 0.000 0.424 103 M N -0.670 118.915 119.600 -0.024 0.000 2.506 103 M HA 0.160 4.533 4.480 -0.179 0.000 0.260 103 M C 1.934 178.299 176.300 0.108 0.000 1.104 103 M CA 0.920 56.272 55.300 0.087 0.000 1.112 103 M CB -0.275 32.377 32.600 0.087 0.000 1.401 103 M HN 0.183 nan 8.290 nan 0.000 0.473 104 A N -0.808 121.965 122.820 -0.079 0.000 2.132 104 A HA 0.071 4.283 4.320 -0.179 0.000 0.213 104 A C 2.118 179.647 177.584 -0.091 0.000 1.154 104 A CA 0.585 52.568 52.037 -0.090 0.000 0.753 104 A CB -0.259 18.592 19.000 -0.248 0.000 0.826 104 A HN 0.463 nan 8.150 nan 0.000 0.469 105 R N -0.789 119.600 120.500 -0.186 0.000 2.173 105 R HA 0.196 4.429 4.340 -0.179 0.000 0.208 105 R C 1.843 178.160 176.300 0.028 0.000 1.035 105 R CA 0.356 56.424 56.100 -0.053 0.000 1.004 105 R CB -0.173 30.071 30.300 -0.094 0.000 0.917 105 R HN 0.375 nan 8.270 nan 0.000 0.462 106 L N 0.293 121.538 121.223 0.037 0.000 2.023 106 L HA 0.042 4.274 4.340 -0.179 0.000 0.205 106 L C 0.615 177.475 176.870 -0.017 0.000 1.073 106 L CA 1.587 56.435 54.840 0.013 0.000 0.745 106 L CB -0.205 41.873 42.059 0.032 0.000 0.900 106 L HN -0.033 nan 8.230 nan 0.000 0.435 107 F N 0.160 120.117 119.950 0.013 0.000 2.352 107 F HA 0.151 4.576 4.527 -0.170 0.000 0.304 107 F C 0.958 176.793 175.800 0.058 0.000 1.215 107 F CA -0.190 57.832 58.000 0.037 0.000 1.121 107 F CB 0.185 39.213 39.000 0.046 0.000 1.329 107 F HN 0.015 nan 8.300 nan 0.000 0.528 108 N N 0.868 119.749 118.700 0.301 0.000 2.752 108 N HA 0.281 4.913 4.740 -0.179 0.000 0.260 108 N C -2.847 172.801 175.510 0.229 0.000 1.562 108 N CA -1.516 51.668 53.050 0.223 0.000 0.788 108 N CB 0.778 39.351 38.487 0.143 0.000 1.192 108 N HN 0.019 nan 8.380 nan 0.000 0.503 109 P HA 0.264 nan 4.420 nan 0.000 0.270 109 P C 0.538 178.006 177.300 0.280 0.000 1.242 109 P CA 0.276 63.584 63.100 0.348 0.000 0.768 109 P CB 0.513 32.448 31.700 0.392 0.000 0.820 110 G N 2.989 111.874 108.800 0.142 0.000 2.309 110 G HA2 -0.037 3.816 3.960 -0.179 0.000 0.183 110 G HA3 -0.037 3.816 3.960 -0.179 0.000 0.183 110 G C 0.873 175.722 174.900 -0.086 0.000 1.063 110 G CA -0.057 44.923 45.100 -0.201 0.000 0.768 110 G HN 0.579 nan 8.290 nan 0.000 0.490 111 A N -0.238 122.586 122.820 0.006 0.000 1.873 111 A HA 0.482 4.695 4.320 -0.179 0.000 0.215 111 A C 1.990 179.563 177.584 -0.019 0.000 1.186 111 A CA 2.042 54.083 52.037 0.008 0.000 0.616 111 A CB -0.320 18.703 19.000 0.038 0.000 0.823 111 A HN 2.000 nan 8.150 nan 0.000 0.442 112 G N -0.859 107.930 108.800 -0.019 0.000 2.360 112 G HA2 0.455 4.308 3.960 -0.179 0.000 0.279 112 G HA3 0.455 4.308 3.960 -0.179 0.000 0.279 112 G C -0.040 174.827 174.900 -0.055 0.000 1.189 112 G CA 0.303 45.388 45.100 -0.025 0.000 0.941 112 G HN 1.058 nan 8.290 nan 0.000 0.445 113 I N 1.488 122.027 120.570 -0.051 0.000 2.293 113 I HA 0.631 4.694 4.170 -0.179 0.000 0.280 113 I C 0.942 177.036 176.117 -0.039 0.000 1.075 113 I CA 0.295 61.560 61.300 -0.059 0.000 1.702 113 I CB -2.267 35.700 38.000 -0.054 0.000 1.477 113 I HN 1.046 nan 8.210 nan 0.000 0.733 114 H N 1.980 121.030 119.070 -0.033 0.000 4.843 114 H HA 0.961 5.409 4.556 -0.179 0.000 0.127 114 H C 1.534 176.854 175.328 -0.015 0.000 1.386 114 H CA 0.515 56.553 56.048 -0.018 0.000 1.034 114 H CB -0.470 29.288 29.762 -0.007 0.000 1.573 114 H HN 2.455 nan 8.280 nan 0.000 0.331 115 L N -0.719 120.505 121.223 0.001 0.000 2.912 115 L HA 0.366 4.599 4.340 -0.179 0.000 0.582 115 L C 0.576 177.453 176.870 0.012 0.000 1.001 115 L CA 0.196 55.045 54.840 0.015 0.000 1.305 115 L CB -2.458 39.612 42.059 0.018 0.000 1.620 115 L HN 2.476 nan 8.230 nan 0.000 0.785 116 A N 3.841 126.671 122.820 0.016 0.000 2.371 116 A HA 0.856 5.069 4.320 -0.179 0.000 0.257 116 A C 0.461 178.055 177.584 0.017 0.000 1.089 116 A CA 0.149 52.194 52.037 0.012 0.000 0.794 116 A CB 1.006 20.012 19.000 0.010 0.000 1.029 116 A HN 2.370 nan 8.150 nan 0.000 0.488 117 V N 0.902 120.824 119.914 0.013 0.000 2.472 117 V HA 0.734 4.747 4.120 -0.179 0.000 0.290 117 V C 0.847 176.950 176.094 0.015 0.000 1.037 117 V CA 0.561 62.870 62.300 0.016 0.000 0.908 117 V CB 0.911 32.741 31.823 0.011 0.000 0.985 117 V HN 1.864 nan 8.190 nan 0.000 0.454 118 G N 2.605 111.417 108.800 0.020 0.000 2.678 118 G HA2 0.414 4.266 3.960 -0.179 0.000 0.175 118 G HA3 0.414 4.266 3.960 -0.179 0.000 0.175 118 G C -0.038 174.873 174.900 0.018 0.000 1.078 118 G CA -0.206 44.905 45.100 0.017 0.000 0.864 118 G HN 1.609 nan 8.290 nan 0.000 0.521 119 G N -0.092 108.722 108.800 0.025 0.000 3.411 119 G HA2 0.752 4.605 3.960 -0.179 0.000 0.298 119 G HA3 0.752 4.605 3.960 -0.179 0.000 0.298 119 G C -0.563 174.357 174.900 0.033 0.000 3.379 119 G CA 0.675 45.788 45.100 0.022 0.000 0.608 119 G HN 1.211 nan 8.290 nan 0.000 0.292 120 Q N -0.216 119.608 119.800 0.040 0.000 2.878 120 Q HA 0.715 4.948 4.340 -0.179 0.000 0.341 120 Q C -0.818 175.223 176.000 0.069 0.000 0.824 120 Q CA -1.096 54.745 55.803 0.064 0.000 0.811 120 Q CB 0.613 29.393 28.738 0.071 0.000 1.364 120 Q HN 0.165 nan 8.270 nan 0.000 0.514 121 Q N -0.149 119.710 119.800 0.097 0.000 2.286 121 Q HA 0.542 4.775 4.340 -0.179 0.000 0.257 121 Q C -0.016 176.018 176.000 0.057 0.000 0.941 121 Q CA 0.685 56.548 55.803 0.100 0.000 0.912 121 Q CB 0.615 29.445 28.738 0.152 0.000 1.192 121 Q HN 0.692 nan 8.270 nan 0.000 0.410 122 F N 1.096 121.074 119.950 0.046 0.000 2.802 122 F HA 0.169 4.589 4.527 -0.179 0.000 0.300 122 F C 0.931 176.740 175.800 0.014 0.000 1.168 122 F CA 0.433 58.449 58.000 0.026 0.000 1.433 122 F CB -0.663 38.350 39.000 0.022 0.000 1.115 122 F HN 0.745 nan 8.300 nan 0.000 0.582 123 Q N 0.172 119.980 119.800 0.014 0.000 2.729 123 Q HA -0.100 4.133 4.340 -0.179 0.000 0.184 123 Q C -2.876 173.119 176.000 -0.009 0.000 1.453 123 Q CA -0.140 55.658 55.803 -0.009 0.000 0.579 123 Q CB -1.829 26.896 28.738 -0.023 0.000 0.717 123 Q HN 0.487 nan 8.270 nan 0.000 0.316 124 P HA 0.225 nan 4.420 nan 0.000 0.268 124 P C -0.216 177.075 177.300 -0.014 0.000 1.208 124 P CA 1.024 64.123 63.100 -0.001 0.000 0.777 124 P CB 0.233 31.936 31.700 0.005 0.000 0.875 125 H N 1.174 120.238 119.070 -0.009 0.000 3.038 125 H HA 0.032 4.481 4.556 -0.179 0.000 0.338 125 H C 0.662 175.978 175.328 -0.020 0.000 1.041 125 H CA -0.213 55.827 56.048 -0.014 0.000 1.394 125 H CB -0.184 29.573 29.762 -0.008 0.000 1.357 125 H HN 0.409 nan 8.280 nan 0.000 0.600 126 Q N 0.668 120.451 119.800 -0.028 0.000 2.421 126 Q HA 0.401 4.633 4.340 -0.179 0.000 0.255 126 Q C 0.538 176.529 176.000 -0.015 0.000 1.013 126 Q CA 0.225 56.009 55.803 -0.033 0.000 0.895 126 Q CB 0.865 29.577 28.738 -0.044 0.000 1.271 126 Q HN 1.000 nan 8.270 nan 0.000 0.460 127 A N 4.569 127.382 122.820 -0.012 0.000 2.524 127 A HA 0.300 4.513 4.320 -0.179 0.000 0.250 127 A C -1.868 175.721 177.584 0.009 0.000 1.078 127 A CA -0.906 51.133 52.037 0.002 0.000 0.761 127 A CB -0.622 18.381 19.000 0.005 0.000 1.012 127 A HN 0.416 nan 8.150 nan 0.000 0.500 128 P HA 0.126 nan 4.420 nan 0.000 0.266 128 P C -2.336 174.991 177.300 0.045 0.000 1.193 128 P CA -0.561 62.561 63.100 0.037 0.000 0.770 128 P CB -0.265 31.461 31.700 0.043 0.000 0.836 129 P HA -0.069 nan 4.420 nan 0.000 0.265 129 P C 0.802 178.108 177.300 0.011 0.000 1.187 129 P CA -0.116 63.005 63.100 0.035 0.000 0.766 129 P CB 0.530 32.261 31.700 0.051 0.000 0.820 130 L N 5.480 126.694 121.223 -0.015 0.000 2.042 130 L HA -0.197 4.036 4.340 -0.179 0.000 0.210 130 L C 2.328 179.171 176.870 -0.044 0.000 1.076 130 L CA 1.960 56.790 54.840 -0.017 0.000 0.749 130 L CB -1.322 40.728 42.059 -0.015 0.000 0.893 130 L HN 0.329 nan 8.230 nan 0.000 0.432 131 V N -3.178 116.669 119.914 -0.111 0.000 2.392 131 V HA -0.272 3.740 4.120 -0.179 0.000 0.249 131 V C 2.279 178.265 176.094 -0.180 0.000 1.059 131 V CA 1.988 64.182 62.300 -0.176 0.000 1.051 131 V CB -1.347 30.316 31.823 -0.268 0.000 0.658 131 V HN 0.559 nan 8.190 nan 0.000 0.455 132 H N -0.492 118.569 119.070 -0.015 0.000 2.547 132 H HA 0.342 4.790 4.556 -0.180 0.000 0.266 132 H C 2.067 177.384 175.328 -0.020 0.000 0.988 132 H CA 1.180 57.216 56.048 -0.019 0.000 1.147 132 H CB 0.269 30.021 29.762 -0.016 0.000 1.365 132 H HN 0.492 nan 8.280 nan 0.000 0.589 133 I N -0.251 120.359 120.570 0.068 0.000 2.429 133 I HA -0.152 3.911 4.170 -0.179 0.000 0.247 133 I C 2.172 178.298 176.117 0.015 0.000 1.099 133 I CA 0.451 61.775 61.300 0.039 0.000 1.422 133 I CB 0.079 38.096 38.000 0.028 0.000 1.112 133 I HN 0.101 nan 8.210 nan 0.000 0.430 134 L N 0.394 121.616 121.223 -0.001 0.000 1.988 134 L HA -0.208 4.025 4.340 -0.179 0.000 0.207 134 L C 2.545 179.388 176.870 -0.045 0.000 1.071 134 L CA 1.464 56.292 54.840 -0.020 0.000 0.744 134 L CB -0.667 41.379 42.059 -0.022 0.000 0.893 134 L HN 0.249 nan 8.230 nan 0.000 0.433 135 L N -0.115 121.088 121.223 -0.034 0.000 2.263 135 L HA -0.255 3.978 4.340 -0.179 0.000 0.216 135 L C 1.438 178.279 176.870 -0.047 0.000 1.111 135 L CA 0.986 55.804 54.840 -0.037 0.000 0.773 135 L CB -0.418 41.652 42.059 0.018 0.000 0.906 135 L HN 0.282 nan 8.230 nan 0.000 0.439 136 D N -0.874 119.512 120.400 -0.023 0.000 2.340 136 D HA 0.035 4.568 4.640 -0.179 0.000 0.220 136 D C 1.895 178.160 176.300 -0.058 0.000 1.039 136 D CA 0.425 54.408 54.000 -0.029 0.000 0.866 136 D CB 0.181 40.983 40.800 0.004 0.000 0.913 136 D HN 0.330 nan 8.370 nan 0.000 0.523 137 I N -0.535 119.975 120.570 -0.100 0.000 3.059 137 I HA -0.018 4.044 4.170 -0.179 0.000 0.270 137 I C 0.369 176.314 176.117 -0.286 0.000 1.238 137 I CA 0.215 61.447 61.300 -0.114 0.000 1.478 137 I CB 0.050 38.008 38.000 -0.069 0.000 1.097 137 I HN -0.235 nan 8.210 nan 0.000 0.455 138 V N 4.839 124.499 119.914 -0.424 0.000 2.427 138 V HA 0.187 4.199 4.120 -0.179 0.000 0.268 138 V C -1.829 174.184 176.094 -0.136 0.000 1.046 138 V CA -1.315 60.698 62.300 -0.478 0.000 0.970 138 V CB 0.143 31.709 31.823 -0.428 0.000 1.001 138 V HN 0.091 nan 8.190 nan 0.000 0.476 139 P HA 0.288 nan 4.420 nan 0.000 0.276 139 P C 0.324 177.596 177.300 -0.045 0.000 1.244 139 P CA -0.236 62.851 63.100 -0.023 0.000 0.801 139 P CB 1.395 33.084 31.700 -0.017 0.000 1.006 140 T N -1.049 113.463 114.554 -0.070 0.000 3.023 140 T HA 0.062 4.305 4.350 -0.179 0.000 0.249 140 T C 0.653 175.284 174.700 -0.115 0.000 1.050 140 T CA 0.722 62.779 62.100 -0.071 0.000 1.088 140 T CB -0.200 68.636 68.868 -0.053 0.000 0.946 140 T HN 0.437 nan 8.240 nan 0.000 0.480 141 N N 1.120 119.730 118.700 -0.149 0.000 2.540 141 N HA 0.270 4.903 4.740 -0.179 0.000 0.275 141 N C -2.631 172.688 175.510 -0.320 0.000 1.053 141 N CA -1.935 50.984 53.050 -0.219 0.000 0.876 141 N CB 2.363 40.780 38.487 -0.116 0.000 1.284 141 N HN -0.139 nan 8.380 nan 0.000 0.518 142 P HA 0.036 nan 4.420 nan 0.000 0.218 142 P C 1.095 178.072 177.300 -0.538 0.000 1.149 142 P CA 1.032 63.648 63.100 -0.807 0.000 0.817 142 P CB 0.100 30.716 31.700 -1.807 0.000 0.785 143 F N -0.306 119.440 119.950 -0.340 0.000 2.186 143 F HA -0.069 4.351 4.527 -0.180 0.000 0.299 143 F C 2.618 178.313 175.800 -0.175 0.000 1.090 143 F CA 0.693 58.550 58.000 -0.237 0.000 1.307 143 F CB -1.347 37.553 39.000 -0.166 0.000 1.019 143 F HN -0.039 nan 8.300 nan 0.000 0.489 144 G N 0.525 109.329 108.800 0.006 0.000 2.545 144 G HA2 -0.322 3.530 3.960 -0.179 0.000 0.217 144 G HA3 -0.322 3.530 3.960 -0.179 0.000 0.217 144 G C 1.891 176.766 174.900 -0.041 0.000 1.218 144 G CA 1.187 46.274 45.100 -0.022 0.000 0.787 144 G HN 0.421 nan 8.290 nan 0.000 0.571 145 A N 0.464 123.240 122.820 -0.073 0.000 1.903 145 A HA -0.089 4.123 4.320 -0.179 0.000 0.219 145 A C 2.517 180.078 177.584 -0.038 0.000 1.191 145 A CA 1.794 53.802 52.037 -0.049 0.000 0.638 145 A CB -0.550 18.422 19.000 -0.047 0.000 0.823 145 A HN 0.393 nan 8.150 nan 0.000 0.451 146 L N -1.116 120.066 121.223 -0.068 0.000 1.994 146 L HA -0.227 4.005 4.340 -0.179 0.000 0.208 146 L C 3.120 179.969 176.870 -0.035 0.000 1.071 146 L CA 1.285 56.084 54.840 -0.067 0.000 0.745 146 L CB -0.699 41.283 42.059 -0.128 0.000 0.892 146 L HN 0.465 nan 8.230 nan 0.000 0.431 147 A N 0.629 123.433 122.820 -0.027 0.000 2.076 147 A HA -0.171 4.041 4.320 -0.179 0.000 0.220 147 A C 0.452 178.025 177.584 -0.018 0.000 1.160 147 A CA 1.800 53.824 52.037 -0.022 0.000 0.653 147 A CB -0.769 18.221 19.000 -0.016 0.000 0.801 147 A HN 0.718 nan 8.150 nan 0.000 0.455 148 N N -2.291 116.399 118.700 -0.016 0.000 2.640 148 N HA 0.466 5.099 4.740 -0.179 0.000 0.262 148 N C 0.477 175.983 175.510 -0.006 0.000 1.174 148 N CA 0.150 53.193 53.050 -0.012 0.000 0.791 148 N CB 0.520 38.999 38.487 -0.013 0.000 1.279 148 N HN 0.557 nan 8.380 nan 0.000 0.535 149 G N 1.565 110.365 108.800 -0.001 0.000 2.602 149 G HA2 -0.395 3.458 3.960 -0.179 0.000 0.310 149 G HA3 -0.395 3.458 3.960 -0.179 0.000 0.310 149 G C -0.338 174.573 174.900 0.019 0.000 1.183 149 G CA 0.593 45.697 45.100 0.008 0.000 0.979 149 G HN 0.848 nan 8.290 nan 0.000 0.545 150 Q N -1.677 118.136 119.800 0.021 0.000 2.460 150 Q HA -0.174 4.058 4.340 -0.179 0.000 0.311 150 Q C 1.474 177.510 176.000 0.059 0.000 1.396 150 Q CA 0.804 56.626 55.803 0.032 0.000 0.838 150 Q CB -2.009 26.741 28.738 0.020 0.000 1.140 150 Q HN 0.964 nan 8.270 nan 0.000 0.415 151 V N -0.275 119.677 119.914 0.063 0.000 2.407 151 V HA -0.262 3.750 4.120 -0.179 0.000 0.248 151 V C 2.107 178.273 176.094 0.120 0.000 1.055 151 V CA 2.091 64.445 62.300 0.089 0.000 1.049 151 V CB -0.211 31.655 31.823 0.071 0.000 0.662 151 V HN 0.406 nan 8.190 nan 0.000 0.455 152 L N 0.052 121.338 121.223 0.105 0.000 1.976 152 L HA -0.065 4.168 4.340 -0.179 0.000 0.209 152 L C 0.006 176.982 176.870 0.177 0.000 1.071 152 L CA 2.539 57.460 54.840 0.134 0.000 0.746 152 L CB -2.057 40.062 42.059 0.100 0.000 0.890 152 L HN 0.286 nan 8.230 nan 0.000 0.432 153 P HA -0.101 nan 4.420 nan 0.000 0.218 153 P C 1.605 179.059 177.300 0.255 0.000 1.149 153 P CA 1.351 64.553 63.100 0.170 0.000 0.817 153 P CB -0.110 31.637 31.700 0.078 0.000 0.785 154 T N -0.152 114.529 114.554 0.212 0.000 2.622 154 T HA -0.169 4.074 4.350 -0.179 0.000 0.266 154 T C 1.744 176.662 174.700 0.363 0.000 1.047 154 T CA 1.172 63.438 62.100 0.277 0.000 1.159 154 T CB -1.004 67.993 68.868 0.215 0.000 0.863 154 T HN 0.054 nan 8.240 nan 0.000 0.422 155 I N 0.280 121.030 120.570 0.300 0.000 2.113 155 I HA -0.265 3.797 4.170 -0.179 0.000 0.242 155 I C 2.133 178.426 176.117 0.294 0.000 1.057 155 I CA 1.822 63.299 61.300 0.296 0.000 1.314 155 I CB -0.379 37.803 38.000 0.303 0.000 1.022 155 I HN 0.201 nan 8.210 nan 0.000 0.408 156 F N 0.461 120.526 119.950 0.193 0.000 2.234 156 F HA -0.268 4.152 4.527 -0.179 0.000 0.299 156 F C 2.096 178.000 175.800 0.174 0.000 1.087 156 F CA 1.340 59.431 58.000 0.152 0.000 1.340 156 F CB -0.259 38.822 39.000 0.134 0.000 1.031 156 F HN -0.008 nan 8.300 nan 0.000 0.500 157 F N 0.612 120.657 119.950 0.159 0.000 2.149 157 F HA 0.069 4.488 4.527 -0.179 0.000 0.294 157 F C 2.343 178.179 175.800 0.060 0.000 1.095 157 F CA 1.169 59.219 58.000 0.083 0.000 1.276 157 F CB -1.078 38.019 39.000 0.161 0.000 1.023 157 F HN -0.040 nan 8.300 nan 0.000 0.480 158 A N 1.030 123.921 122.820 0.119 0.000 1.892 158 A HA -0.202 4.010 4.320 -0.179 0.000 0.218 158 A C 2.345 179.769 177.584 -0.268 0.000 1.188 158 A CA 2.203 54.175 52.037 -0.108 0.000 0.631 158 A CB -1.302 17.694 19.000 -0.007 0.000 0.822 158 A HN 0.494 nan 8.150 nan 0.000 0.447 159 I N -1.219 119.216 120.570 -0.225 0.000 2.315 159 I HA -0.208 3.855 4.170 -0.179 0.000 0.248 159 I C 2.142 178.034 176.117 -0.375 0.000 1.117 159 I CA 1.154 62.280 61.300 -0.290 0.000 1.404 159 I CB -0.265 37.562 38.000 -0.288 0.000 1.071 159 I HN 0.228 nan 8.210 nan 0.000 0.419 160 I N 0.007 120.282 120.570 -0.491 0.000 2.676 160 I HA -0.207 3.856 4.170 -0.179 0.000 0.259 160 I C 2.076 177.931 176.117 -0.436 0.000 1.194 160 I CA 0.984 61.995 61.300 -0.482 0.000 1.473 160 I CB -0.186 37.476 38.000 -0.563 0.000 1.096 160 I HN 0.142 nan 8.210 nan 0.000 0.443 161 L N 0.200 121.098 121.223 -0.541 0.000 2.068 161 L HA 0.095 4.328 4.340 -0.179 0.000 0.204 161 L C 2.408 179.096 176.870 -0.303 0.000 1.076 161 L CA 2.024 56.573 54.840 -0.485 0.000 0.753 161 L CB -1.432 40.254 42.059 -0.622 0.000 0.910 161 L HN 0.218 nan 8.230 nan 0.000 0.439 162 G N -0.326 108.300 108.800 -0.291 0.000 2.442 162 G HA2 -0.251 3.601 3.960 -0.179 0.000 0.219 162 G HA3 -0.251 3.601 3.960 -0.179 0.000 0.219 162 G C 1.488 176.300 174.900 -0.146 0.000 1.141 162 G CA 1.022 45.999 45.100 -0.204 0.000 0.763 162 G HN 0.353 nan 8.290 nan 0.000 0.554 163 I N 1.761 122.224 120.570 -0.179 0.000 2.315 163 I HA -0.001 4.061 4.170 -0.179 0.000 0.248 163 I C 3.059 179.102 176.117 -0.123 0.000 1.117 163 I CA 0.617 61.837 61.300 -0.135 0.000 1.404 163 I CB -0.708 37.157 38.000 -0.226 0.000 1.071 163 I HN 0.224 nan 8.210 nan 0.000 0.419 164 A N -0.344 122.365 122.820 -0.185 0.000 1.970 164 A HA -0.069 4.143 4.320 -0.179 0.000 0.216 164 A C 2.398 179.959 177.584 -0.039 0.000 1.170 164 A CA 1.033 52.978 52.037 -0.153 0.000 0.645 164 A CB -0.699 18.200 19.000 -0.169 0.000 0.816 164 A HN 0.386 nan 8.150 nan 0.000 0.447 165 I N -1.078 119.461 120.570 -0.051 0.000 2.761 165 I HA -0.129 3.934 4.170 -0.179 0.000 0.261 165 I C 2.287 178.412 176.117 0.013 0.000 1.198 165 I CA 1.321 62.607 61.300 -0.023 0.000 1.482 165 I CB 0.082 38.049 38.000 -0.055 0.000 1.100 165 I HN 0.264 nan 8.210 nan 0.000 0.445 166 T N -0.048 114.531 114.554 0.042 0.000 2.732 166 T HA -0.165 4.078 4.350 -0.179 0.000 0.261 166 T C 1.590 176.348 174.700 0.096 0.000 1.040 166 T CA 1.435 63.571 62.100 0.060 0.000 1.145 166 T CB -0.268 68.639 68.868 0.065 0.000 0.866 166 T HN 0.278 nan 8.240 nan 0.000 0.427 167 Y N 0.794 121.061 120.300 -0.055 0.000 2.256 167 Y HA -0.017 4.425 4.550 -0.179 0.000 0.288 167 Y C 2.050 177.929 175.900 -0.035 0.000 1.155 167 Y CA 0.335 58.408 58.100 -0.044 0.000 1.203 167 Y CB -0.571 37.861 38.460 -0.046 0.000 0.980 167 Y HN 0.123 nan 8.280 nan 0.000 0.530 168 L N -0.881 120.418 121.223 0.126 0.000 2.093 168 L HA -0.183 4.049 4.340 -0.179 0.000 0.208 168 L C 2.200 179.087 176.870 0.029 0.000 1.085 168 L CA 1.623 56.499 54.840 0.060 0.000 0.755 168 L CB -0.553 41.527 42.059 0.036 0.000 0.904 168 L HN 0.204 nan 8.230 nan 0.000 0.435 169 M N -0.878 118.732 119.600 0.017 0.000 2.630 169 M HA -0.061 4.311 4.480 -0.179 0.000 0.254 169 M C 0.257 176.546 176.300 -0.018 0.000 1.092 169 M CA 0.564 55.863 55.300 -0.003 0.000 1.087 169 M CB -0.036 32.558 32.600 -0.010 0.000 1.453 169 M HN 0.201 nan 8.290 nan 0.000 0.509 170 N N 0.439 119.122 118.700 -0.027 0.000 2.380 170 N HA 0.179 4.812 4.740 -0.179 0.000 0.255 170 N C -0.327 175.164 175.510 -0.032 0.000 1.158 170 N CA 0.075 53.096 53.050 -0.049 0.000 0.878 170 N CB 0.100 38.526 38.487 -0.102 0.000 1.138 170 N HN 0.168 nan 8.380 nan 0.000 0.509 171 S N -0.201 115.492 115.700 -0.012 0.000 2.541 171 S HA 0.518 4.881 4.470 -0.179 0.000 0.283 171 S C 1.259 175.855 174.600 -0.006 0.000 1.196 171 S CA -0.313 57.886 58.200 -0.003 0.000 1.062 171 S CB 0.496 63.702 63.200 0.009 0.000 1.009 171 S HN 0.286 nan 8.310 nan 0.000 0.502 172 E N 1.586 121.782 120.200 -0.005 0.000 2.409 172 E HA -0.051 4.191 4.350 -0.179 0.000 0.198 172 E C 0.613 177.211 176.600 -0.002 0.000 1.024 172 E CA 0.956 57.353 56.400 -0.006 0.000 0.861 172 E CB -0.497 29.200 29.700 -0.005 0.000 0.788 172 E HN 0.741 nan 8.360 nan 0.000 0.521 173 N N -0.128 118.573 118.700 0.001 0.000 2.479 173 N HA 0.274 4.907 4.740 -0.179 0.000 0.285 173 N C -0.276 175.236 175.510 0.003 0.000 1.075 173 N CA -0.205 52.847 53.050 0.003 0.000 0.967 173 N CB 1.625 40.115 38.487 0.006 0.000 1.137 173 N HN 0.061 nan 8.380 nan 0.000 0.472 174 E N 1.357 121.559 120.200 0.002 0.000 2.585 174 E HA 0.223 4.465 4.350 -0.179 0.000 0.206 174 E C 0.055 176.658 176.600 0.004 0.000 1.007 174 E CA 0.106 56.507 56.400 0.002 0.000 1.028 174 E CB 0.186 29.886 29.700 0.000 0.000 1.087 174 E HN 0.586 nan 8.360 nan 0.000 0.455 175 K N -0.980 119.424 120.400 0.006 0.000 2.214 175 K HA 0.129 4.342 4.320 -0.179 0.000 0.201 175 K C 2.155 178.761 176.600 0.011 0.000 1.049 175 K CA 0.896 57.188 56.287 0.009 0.000 0.978 175 K CB 0.083 32.588 32.500 0.009 0.000 0.842 175 K HN 0.106 nan 8.250 nan 0.000 0.474 176 V N 1.904 121.825 119.914 0.011 0.000 2.427 176 V HA -0.218 3.794 4.120 -0.179 0.000 0.248 176 V C 2.437 178.538 176.094 0.012 0.000 1.051 176 V CA 2.738 65.046 62.300 0.014 0.000 1.048 176 V CB -1.321 30.511 31.823 0.015 0.000 0.666 176 V HN 0.306 nan 8.190 nan 0.000 0.456 177 R N 0.189 120.694 120.500 0.008 0.000 2.148 177 R HA 0.058 4.291 4.340 -0.179 0.000 0.223 177 R C 2.501 178.804 176.300 0.005 0.000 1.088 177 R CA 2.290 58.393 56.100 0.005 0.000 0.985 177 R CB -1.411 28.889 30.300 -0.000 0.000 0.880 177 R HN 0.824 nan 8.270 nan 0.000 0.451 178 K N 1.011 121.415 120.400 0.006 0.000 2.026 178 K HA -0.129 4.083 4.320 -0.179 0.000 0.208 178 K C 2.554 179.160 176.600 0.010 0.000 1.048 178 K CA 2.132 58.423 56.287 0.007 0.000 0.929 178 K CB -1.095 31.410 32.500 0.007 0.000 0.713 178 K HN 0.790 nan 8.250 nan 0.000 0.439 179 S N 0.275 115.982 115.700 0.013 0.000 2.383 179 S HA 0.133 4.496 4.470 -0.179 0.000 0.227 179 S C 2.504 177.115 174.600 0.018 0.000 1.026 179 S CA 1.207 59.417 58.200 0.018 0.000 0.981 179 S CB -0.363 62.849 63.200 0.021 0.000 0.818 179 S HN 0.784 nan 8.310 nan 0.000 0.472 180 A N 1.754 124.582 122.820 0.015 0.000 1.930 180 A HA 0.095 4.308 4.320 -0.179 0.000 0.217 180 A C 2.340 179.928 177.584 0.006 0.000 1.175 180 A CA 1.988 54.032 52.037 0.011 0.000 0.627 180 A CB -1.583 17.422 19.000 0.010 0.000 0.815 180 A HN 0.819 nan 8.150 nan 0.000 0.443 181 E N -0.538 119.665 120.200 0.005 0.000 2.106 181 E HA -0.129 4.114 4.350 -0.179 0.000 0.192 181 E C 1.986 178.589 176.600 0.006 0.000 0.984 181 E CA 1.897 58.298 56.400 0.002 0.000 0.806 181 E CB -1.623 28.077 29.700 0.000 0.000 0.750 181 E HN 0.687 nan 8.360 nan 0.000 0.458 182 T N 0.761 115.322 114.554 0.011 0.000 2.708 182 T HA -0.114 4.129 4.350 -0.179 0.000 0.266 182 T C 2.081 176.794 174.700 0.021 0.000 1.037 182 T CA 1.349 63.459 62.100 0.016 0.000 1.146 182 T CB -0.426 68.453 68.868 0.019 0.000 0.865 182 T HN 0.301 nan 8.240 nan 0.000 0.435 183 L N 0.871 122.109 121.223 0.024 0.000 2.012 183 L HA 0.021 4.253 4.340 -0.179 0.000 0.210 183 L C 2.276 179.160 176.870 0.023 0.000 1.073 183 L CA 1.566 56.426 54.840 0.034 0.000 0.748 183 L CB -0.754 41.328 42.059 0.039 0.000 0.891 183 L HN 0.224 nan 8.230 nan 0.000 0.431 184 L N -1.001 120.225 121.223 0.005 0.000 2.093 184 L HA -0.199 4.033 4.340 -0.179 0.000 0.208 184 L C 2.134 179.001 176.870 -0.005 0.000 1.085 184 L CA 1.484 56.316 54.840 -0.013 0.000 0.755 184 L CB -0.487 41.559 42.059 -0.022 0.000 0.904 184 L HN 0.368 nan 8.230 nan 0.000 0.435 185 D N -0.344 120.059 120.400 0.005 0.000 2.117 185 D HA -0.141 4.391 4.640 -0.179 0.000 0.198 185 D C 2.154 178.467 176.300 0.022 0.000 0.982 185 D CA 1.327 55.334 54.000 0.011 0.000 0.828 185 D CB 0.105 40.912 40.800 0.011 0.000 0.967 185 D HN 0.444 nan 8.370 nan 0.000 0.464 186 A N 1.206 124.042 122.820 0.028 0.000 1.865 186 A HA -0.166 4.046 4.320 -0.179 0.000 0.217 186 A C 2.386 180.000 177.584 0.050 0.000 1.191 186 A CA 1.008 53.069 52.037 0.041 0.000 0.623 186 A CB -0.843 18.185 19.000 0.047 0.000 0.826 186 A HN 0.189 nan 8.150 nan 0.000 0.444 187 I N -0.191 120.406 120.570 0.045 0.000 2.248 187 I HA -0.286 3.777 4.170 -0.179 0.000 0.248 187 I C 2.363 178.496 176.117 0.026 0.000 1.107 187 I CA 1.764 63.086 61.300 0.038 0.000 1.373 187 I CB -0.397 37.589 38.000 -0.022 0.000 1.055 187 I HN 0.392 nan 8.210 nan 0.000 0.418 188 N N 1.025 119.737 118.700 0.019 0.000 2.331 188 N HA -0.085 4.547 4.740 -0.179 0.000 0.180 188 N C 1.829 177.374 175.510 0.057 0.000 1.019 188 N CA 1.269 54.339 53.050 0.033 0.000 0.881 188 N CB -0.258 38.239 38.487 0.017 0.000 0.972 188 N HN 0.297 nan 8.380 nan 0.000 0.435 189 G N 0.756 109.586 108.800 0.051 0.000 2.459 189 G HA2 -0.241 3.612 3.960 -0.179 0.000 0.217 189 G HA3 -0.241 3.612 3.960 -0.179 0.000 0.217 189 G C 1.437 176.380 174.900 0.072 0.000 1.183 189 G CA 0.922 46.055 45.100 0.056 0.000 0.776 189 G HN 0.339 nan 8.290 nan 0.000 0.552 190 L N 1.389 122.657 121.223 0.075 0.000 2.017 190 L HA 0.086 4.319 4.340 -0.179 0.000 0.208 190 L C 3.201 180.129 176.870 0.097 0.000 1.073 190 L CA 2.153 57.043 54.840 0.084 0.000 0.745 190 L CB -0.860 41.258 42.059 0.099 0.000 0.894 190 L HN 0.282 nan 8.230 nan 0.000 0.432 191 A N -0.788 122.099 122.820 0.111 0.000 1.869 191 A HA -0.319 3.893 4.320 -0.179 0.000 0.218 191 A C 2.221 179.982 177.584 0.295 0.000 1.203 191 A CA 2.150 54.290 52.037 0.172 0.000 0.638 191 A CB -0.950 18.155 19.000 0.175 0.000 0.831 191 A HN 0.494 nan 8.150 nan 0.000 0.450 192 E N -0.430 119.917 120.200 0.244 0.000 2.070 192 E HA -0.110 4.132 4.350 -0.179 0.000 0.197 192 E C 2.264 179.000 176.600 0.227 0.000 1.004 192 E CA 1.586 58.136 56.400 0.251 0.000 0.805 192 E CB -0.533 29.241 29.700 0.122 0.000 0.744 192 E HN 0.563 nan 8.360 nan 0.000 0.451 193 A N 0.243 123.147 122.820 0.140 0.000 1.917 193 A HA -0.248 3.964 4.320 -0.179 0.000 0.219 193 A C 2.022 179.657 177.584 0.085 0.000 1.182 193 A CA 2.123 54.218 52.037 0.097 0.000 0.633 193 A CB -0.480 18.561 19.000 0.069 0.000 0.819 193 A HN 0.191 nan 8.150 nan 0.000 0.448 194 M N -1.698 117.934 119.600 0.052 0.000 2.229 194 M HA -0.074 4.298 4.480 -0.179 0.000 0.264 194 M C 1.971 178.232 176.300 -0.065 0.000 1.063 194 M CA 1.020 56.297 55.300 -0.039 0.000 1.114 194 M CB -1.695 30.831 32.600 -0.124 0.000 1.387 194 M HN 0.570 nan 8.290 nan 0.000 0.420 195 Y N 0.939 121.271 120.300 0.054 0.000 2.242 195 Y HA -0.214 4.229 4.550 -0.179 0.000 0.291 195 Y C 2.809 178.734 175.900 0.041 0.000 1.137 195 Y CA 2.237 60.366 58.100 0.049 0.000 1.181 195 Y CB -0.858 37.632 38.460 0.050 0.000 0.989 195 Y HN 0.376 nan 8.280 nan 0.000 0.527 196 K N 0.817 121.335 120.400 0.198 0.000 2.097 196 K HA -0.120 4.092 4.320 -0.179 0.000 0.206 196 K C 1.677 178.333 176.600 0.093 0.000 1.049 196 K CA 1.977 58.337 56.287 0.122 0.000 0.933 196 K CB -1.384 31.172 32.500 0.093 0.000 0.717 196 K HN 0.490 nan 8.250 nan 0.000 0.442 197 I N 0.028 120.644 120.570 0.077 0.000 2.439 197 I HA -0.131 3.932 4.170 -0.179 0.000 0.251 197 I C 2.340 178.497 176.117 0.065 0.000 1.139 197 I CA 0.582 61.916 61.300 0.057 0.000 1.438 197 I CB 0.022 38.043 38.000 0.035 0.000 1.085 197 I HN 0.159 nan 8.210 nan 0.000 0.427 198 V N 1.455 121.407 119.914 0.063 0.000 2.867 198 V HA -0.224 3.789 4.120 -0.179 0.000 0.260 198 V C 1.984 178.139 176.094 0.102 0.000 1.099 198 V CA 1.891 64.234 62.300 0.071 0.000 1.122 198 V CB -0.721 31.132 31.823 0.050 0.000 0.708 198 V HN 0.476 nan 8.190 nan 0.000 0.490 199 N N -0.124 118.637 118.700 0.100 0.000 2.333 199 N HA -0.050 4.583 4.740 -0.179 0.000 0.178 199 N C 1.730 177.296 175.510 0.094 0.000 1.018 199 N CA 1.153 54.258 53.050 0.092 0.000 0.882 199 N CB -0.027 38.508 38.487 0.079 0.000 0.984 199 N HN 0.566 nan 8.380 nan 0.000 0.434 200 G N 1.651 110.507 108.800 0.092 0.000 2.404 200 G HA2 -0.101 3.752 3.960 -0.179 0.000 0.214 200 G HA3 -0.101 3.752 3.960 -0.179 0.000 0.214 200 G C 1.770 176.751 174.900 0.135 0.000 1.189 200 G CA 0.929 46.087 45.100 0.096 0.000 0.789 200 G HN 0.254 nan 8.290 nan 0.000 0.533 201 V N 0.706 120.707 119.914 0.145 0.000 2.568 201 V HA -0.058 3.955 4.120 -0.179 0.000 0.253 201 V C 2.552 178.838 176.094 0.320 0.000 1.072 201 V CA 2.473 64.906 62.300 0.223 0.000 1.084 201 V CB -0.325 31.597 31.823 0.166 0.000 0.676 201 V HN 0.281 nan 8.190 nan 0.000 0.469 202 M N -1.450 118.285 119.600 0.225 0.000 2.506 202 M HA 0.007 4.380 4.480 -0.179 0.000 0.260 202 M C 2.070 178.434 176.300 0.107 0.000 1.104 202 M CA 1.126 56.541 55.300 0.192 0.000 1.112 202 M CB 0.272 32.955 32.600 0.138 0.000 1.401 202 M HN 0.680 nan 8.290 nan 0.000 0.473 203 Q N -0.895 118.979 119.800 0.124 0.000 2.311 203 Q HA -0.121 4.112 4.340 -0.179 0.000 0.203 203 Q C 1.493 177.551 176.000 0.096 0.000 0.954 203 Q CA 1.170 57.029 55.803 0.094 0.000 0.885 203 Q CB -0.239 28.565 28.738 0.110 0.000 0.963 203 Q HN 0.490 nan 8.270 nan 0.000 0.471 204 Y N -0.450 119.851 120.300 0.000 0.000 2.519 204 Y HA 0.227 4.669 4.550 -0.179 0.000 0.287 204 Y C 1.701 177.476 175.900 -0.209 0.000 1.128 204 Y CA 0.400 58.477 58.100 -0.039 0.000 1.282 204 Y CB -0.387 38.115 38.460 0.070 0.000 1.027 204 Y HN 0.127 nan 8.280 nan 0.000 0.551 205 A N 1.777 124.356 122.820 -0.401 0.000 1.884 205 A HA -0.218 3.995 4.320 -0.179 0.000 0.219 205 A C 0.058 177.213 177.584 -0.716 0.000 1.197 205 A CA 2.026 53.509 52.037 -0.924 0.000 0.637 205 A CB -2.050 16.647 19.000 -0.506 0.000 0.827 205 A HN 0.415 nan 8.150 nan 0.000 0.450 206 P HA -0.199 nan 4.420 nan 0.000 0.215 206 P C 1.493 178.616 177.300 -0.295 0.000 1.163 206 P CA 1.356 64.282 63.100 -0.289 0.000 0.894 206 P CB -0.262 31.305 31.700 -0.222 0.000 0.791 207 I N -0.139 120.183 120.570 -0.412 0.000 2.179 207 I HA -0.142 3.921 4.170 -0.179 0.000 0.242 207 I C 2.703 178.612 176.117 -0.346 0.000 1.088 207 I CA 2.001 63.090 61.300 -0.352 0.000 1.357 207 I CB -2.187 35.536 38.000 -0.462 0.000 1.051 207 I HN 0.033 nan 8.210 nan 0.000 0.409 208 G N 0.637 108.978 108.800 -0.765 0.000 2.446 208 G HA2 -0.197 3.655 3.960 -0.179 0.000 0.217 208 G HA3 -0.197 3.655 3.960 -0.179 0.000 0.217 208 G C 1.881 176.644 174.900 -0.228 0.000 1.168 208 G CA 1.078 45.889 45.100 -0.482 0.000 0.771 208 G HN 0.262 nan 8.290 nan 0.000 0.551 209 V N 0.728 120.433 119.914 -0.347 0.000 2.255 209 V HA -0.185 3.827 4.120 -0.179 0.000 0.247 209 V C 2.356 178.453 176.094 0.006 0.000 1.051 209 V CA 2.141 64.377 62.300 -0.106 0.000 1.018 209 V CB -0.757 31.000 31.823 -0.110 0.000 0.641 209 V HN 0.457 nan 8.190 nan 0.000 0.445 210 F N 1.672 121.558 119.950 -0.106 0.000 2.087 210 F HA -0.278 4.148 4.527 -0.168 0.000 0.299 210 F C 2.175 177.989 175.800 0.023 0.000 1.100 210 F CA 2.095 60.070 58.000 -0.041 0.000 1.226 210 F CB -0.425 38.532 39.000 -0.073 0.000 0.983 210 F HN 0.082 nan 8.300 nan 0.000 0.479 211 A N 0.228 122.860 122.820 -0.313 0.000 2.119 211 A HA 0.027 4.240 4.320 -0.179 0.000 0.217 211 A C 2.184 179.679 177.584 -0.149 0.000 1.153 211 A CA 1.169 53.003 52.037 -0.339 0.000 0.692 211 A CB -0.843 18.192 19.000 0.059 0.000 0.799 211 A HN 0.571 nan 8.150 nan 0.000 0.458 212 L N -0.682 120.508 121.223 -0.055 0.000 2.084 212 L HA -0.068 4.165 4.340 -0.179 0.000 0.202 212 L C 2.190 179.087 176.870 0.045 0.000 1.074 212 L CA 1.046 55.909 54.840 0.038 0.000 0.757 212 L CB -0.363 41.754 42.059 0.096 0.000 0.918 212 L HN 0.499 nan 8.230 nan 0.000 0.444 213 I N -1.377 119.201 120.570 0.014 0.000 2.676 213 I HA -0.027 4.035 4.170 -0.179 0.000 0.259 213 I C 2.532 178.634 176.117 -0.026 0.000 1.194 213 I CA 1.101 62.415 61.300 0.024 0.000 1.473 213 I CB -1.201 36.848 38.000 0.081 0.000 1.096 213 I HN 0.014 nan 8.210 nan 0.000 0.443 214 A N 0.391 123.132 122.820 -0.132 0.000 1.978 214 A HA -0.234 3.978 4.320 -0.179 0.000 0.220 214 A C 2.352 179.922 177.584 -0.024 0.000 1.170 214 A CA 1.857 53.794 52.037 -0.167 0.000 0.636 214 A CB -1.033 17.689 19.000 -0.464 0.000 0.810 214 A HN 0.569 nan 8.150 nan 0.000 0.448 215 Y N 0.078 120.317 120.300 -0.103 0.000 2.138 215 Y HA -0.055 4.400 4.550 -0.158 0.000 0.286 215 Y C 2.427 178.304 175.900 -0.038 0.000 1.115 215 Y CA 1.662 59.730 58.100 -0.053 0.000 1.105 215 Y CB -0.481 37.953 38.460 -0.043 0.000 1.004 215 Y HN 0.023 nan 8.280 nan 0.000 0.494 216 V N 0.551 120.399 119.914 -0.110 0.000 2.469 216 V HA -0.335 3.678 4.120 -0.179 0.000 0.251 216 V C 2.276 178.264 176.094 -0.176 0.000 1.064 216 V CA 1.895 64.081 62.300 -0.190 0.000 1.066 216 V CB -0.657 31.128 31.823 -0.064 0.000 0.667 216 V HN 0.448 nan 8.190 nan 0.000 0.461 217 M N -0.667 118.874 119.600 -0.099 0.000 2.492 217 M HA 0.050 4.423 4.480 -0.179 0.000 0.262 217 M C 2.153 178.409 176.300 -0.074 0.000 1.090 217 M CA 1.558 56.824 55.300 -0.057 0.000 1.110 217 M CB -1.170 31.432 32.600 0.004 0.000 1.407 217 M HN 0.414 nan 8.290 nan 0.000 0.470 218 A N -0.568 122.174 122.820 -0.131 0.000 1.943 218 A HA 0.008 4.220 4.320 -0.179 0.000 0.213 218 A C 2.080 179.558 177.584 -0.177 0.000 1.181 218 A CA 0.754 52.728 52.037 -0.105 0.000 0.653 218 A CB -0.089 18.880 19.000 -0.052 0.000 0.833 218 A HN 0.361 nan 8.150 nan 0.000 0.451 219 E N -0.779 119.203 120.200 -0.364 0.000 2.400 219 E HA 0.031 4.273 4.350 -0.179 0.000 0.195 219 E C 0.932 177.373 176.600 -0.265 0.000 1.012 219 E CA 0.482 56.664 56.400 -0.363 0.000 0.875 219 E CB 0.303 29.604 29.700 -0.665 0.000 0.859 219 E HN 0.719 nan 8.360 nan 0.000 0.498 220 Q N -1.594 118.066 119.800 -0.232 0.000 2.089 220 Q HA 0.151 4.384 4.340 -0.179 0.000 0.227 220 Q C 1.546 177.495 176.000 -0.085 0.000 0.774 220 Q CA 0.233 55.936 55.803 -0.167 0.000 0.960 220 Q CB 1.281 29.906 28.738 -0.189 0.000 1.179 220 Q HN 0.107 nan 8.270 nan 0.000 0.460 221 G N 1.646 110.397 108.800 -0.081 0.000 2.524 221 G HA2 -0.205 3.648 3.960 -0.179 0.000 0.215 221 G HA3 -0.205 3.648 3.960 -0.179 0.000 0.215 221 G C 1.380 176.274 174.900 -0.009 0.000 1.239 221 G CA 1.123 46.204 45.100 -0.032 0.000 0.798 221 G HN 0.312 nan 8.290 nan 0.000 0.557 222 V N 0.340 120.222 119.914 -0.054 0.000 3.519 222 V HA 0.058 4.070 4.120 -0.179 0.000 0.272 222 V C 1.646 177.659 176.094 -0.135 0.000 1.238 222 V CA 2.060 64.243 62.300 -0.195 0.000 1.194 222 V CB -0.806 30.691 31.823 -0.542 0.000 0.923 222 V HN 0.635 nan 8.190 nan 0.000 0.517 223 H N -1.358 117.635 119.070 -0.129 0.000 2.923 223 H HA 0.267 4.758 4.556 -0.108 0.000 0.268 223 H C 1.372 176.655 175.328 -0.075 0.000 1.148 223 H CA 0.904 56.889 56.048 -0.104 0.000 1.146 223 H CB 1.682 31.377 29.762 -0.110 0.000 1.607 223 H HN 0.325 nan 8.280 nan 0.000 0.566 224 V N 1.150 121.071 119.914 0.012 0.000 3.623 224 V HA 0.174 4.187 4.120 -0.179 0.000 0.271 224 V C 1.296 177.374 176.094 -0.026 0.000 1.248 224 V CA 0.771 63.064 62.300 -0.012 0.000 1.156 224 V CB -0.447 31.362 31.823 -0.024 0.000 0.870 224 V HN 0.304 nan 8.190 nan 0.000 0.453 225 V N 0.044 119.936 119.914 -0.037 0.000 3.376 225 V HA 0.638 4.650 4.120 -0.179 0.000 0.303 225 V C 1.330 177.405 176.094 -0.032 0.000 1.100 225 V CA 0.543 62.830 62.300 -0.023 0.000 1.126 225 V CB -0.419 31.394 31.823 -0.017 0.000 1.085 225 V HN 0.810 nan 8.190 nan 0.000 0.480 226 G N 0.562 109.358 108.800 -0.007 0.000 2.552 226 G HA2 -0.226 3.626 3.960 -0.179 0.000 0.265 226 G HA3 -0.226 3.626 3.960 -0.179 0.000 0.265 226 G C 0.669 175.589 174.900 0.034 0.000 1.234 226 G CA 0.459 45.564 45.100 0.008 0.000 0.944 226 G HN 1.099 nan 8.290 nan 0.000 0.568 227 E N 0.069 120.305 120.200 0.060 0.000 2.333 227 E HA -0.022 4.220 4.350 -0.179 0.000 0.198 227 E C 2.744 179.411 176.600 0.112 0.000 1.007 227 E CA 1.063 57.533 56.400 0.117 0.000 0.845 227 E CB -0.115 29.685 29.700 0.167 0.000 0.766 227 E HN 0.487 nan 8.360 nan 0.000 0.507 228 L N -0.272 120.973 121.223 0.037 0.000 2.313 228 L HA -0.034 4.199 4.340 -0.179 0.000 0.214 228 L C 2.392 179.224 176.870 -0.063 0.000 1.119 228 L CA 0.562 55.372 54.840 -0.050 0.000 0.809 228 L CB -0.278 41.747 42.059 -0.056 0.000 0.933 228 L HN 0.022 nan 8.230 nan 0.000 0.449 229 A N 0.350 123.155 122.820 -0.025 0.000 1.902 229 A HA -0.193 4.020 4.320 -0.179 0.000 0.217 229 A C 2.305 179.871 177.584 -0.030 0.000 1.181 229 A CA 1.396 53.416 52.037 -0.028 0.000 0.623 229 A CB -0.257 18.748 19.000 0.008 0.000 0.818 229 A HN 0.271 nan 8.150 nan 0.000 0.443 230 K N -0.254 120.161 120.400 0.026 0.000 2.147 230 K HA -0.087 4.126 4.320 -0.179 0.000 0.205 230 K C 1.899 178.422 176.600 -0.128 0.000 1.049 230 K CA 1.406 57.724 56.287 0.051 0.000 0.936 230 K CB -0.389 32.218 32.500 0.179 0.000 0.722 230 K HN 0.379 nan 8.250 nan 0.000 0.446 231 V N 1.587 121.439 119.914 -0.104 0.000 2.229 231 V HA -0.257 3.756 4.120 -0.179 0.000 0.243 231 V C 2.486 178.443 176.094 -0.228 0.000 1.042 231 V CA 2.426 64.623 62.300 -0.172 0.000 1.000 231 V CB -1.154 30.522 31.823 -0.245 0.000 0.637 231 V HN 0.459 nan 8.190 nan 0.000 0.446 232 T N 0.536 114.959 114.554 -0.218 0.000 2.653 232 T HA -0.296 3.946 4.350 -0.179 0.000 0.268 232 T C 1.975 176.499 174.700 -0.293 0.000 1.035 232 T CA 1.872 63.802 62.100 -0.283 0.000 1.154 232 T CB -0.794 67.893 68.868 -0.301 0.000 0.862 232 T HN 0.541 nan 8.240 nan 0.000 0.441 233 A N 2.173 124.826 122.820 -0.278 0.000 1.858 233 A HA 0.243 4.456 4.320 -0.179 0.000 0.216 233 A C 2.869 180.115 177.584 -0.564 0.000 1.190 233 A CA 2.145 54.012 52.037 -0.284 0.000 0.617 233 A CB -1.481 17.424 19.000 -0.157 0.000 0.827 233 A HN 0.697 nan 8.150 nan 0.000 0.443 234 A N -0.605 121.567 122.820 -1.080 0.000 1.917 234 A HA -0.057 4.156 4.320 -0.179 0.000 0.219 234 A C 2.257 179.673 177.584 -0.280 0.000 1.182 234 A CA 2.070 53.505 52.037 -1.003 0.000 0.633 234 A CB -0.983 17.572 19.000 -0.742 0.000 0.819 234 A HN 0.430 nan 8.150 nan 0.000 0.448 235 V N -1.713 118.117 119.914 -0.141 0.000 2.270 235 V HA -0.225 3.787 4.120 -0.179 0.000 0.245 235 V C 2.390 178.609 176.094 0.207 0.000 1.043 235 V CA 1.820 64.161 62.300 0.067 0.000 1.014 235 V CB -1.064 30.840 31.823 0.136 0.000 0.645 235 V HN 0.597 nan 8.190 nan 0.000 0.447 236 Y N 0.252 120.530 120.300 -0.037 0.000 2.181 236 Y HA -0.157 4.290 4.550 -0.173 0.000 0.288 236 Y C 2.549 178.457 175.900 0.014 0.000 1.146 236 Y CA 0.904 59.010 58.100 0.010 0.000 1.164 236 Y CB -0.992 37.481 38.460 0.022 0.000 0.982 236 Y HN 0.006 nan 8.280 nan 0.000 0.515 237 V N -0.549 119.461 119.914 0.160 0.000 2.332 237 V HA -0.290 3.723 4.120 -0.179 0.000 0.248 237 V C 2.565 178.711 176.094 0.086 0.000 1.055 237 V CA 1.984 64.362 62.300 0.130 0.000 1.038 237 V CB -1.413 30.543 31.823 0.222 0.000 0.651 237 V HN 0.528 nan 8.190 nan 0.000 0.450 238 G N -0.239 108.607 108.800 0.075 0.000 2.446 238 G HA2 -0.238 3.615 3.960 -0.179 0.000 0.217 238 G HA3 -0.238 3.615 3.960 -0.179 0.000 0.217 238 G C 1.568 176.482 174.900 0.023 0.000 1.168 238 G CA 1.128 46.258 45.100 0.049 0.000 0.771 238 G HN 0.486 nan 8.290 nan 0.000 0.551 239 L N 0.345 121.588 121.223 0.034 0.000 2.093 239 L HA -0.045 4.187 4.340 -0.179 0.000 0.208 239 L C 3.158 180.006 176.870 -0.037 0.000 1.085 239 L CA 1.399 56.240 54.840 0.001 0.000 0.755 239 L CB -0.667 41.383 42.059 -0.015 0.000 0.904 239 L HN 0.155 nan 8.230 nan 0.000 0.435 240 T N 0.030 114.558 114.554 -0.044 0.000 2.737 240 T HA -0.139 4.103 4.350 -0.179 0.000 0.265 240 T C 1.824 176.470 174.700 -0.089 0.000 1.038 240 T CA 1.119 63.178 62.100 -0.069 0.000 1.144 240 T CB -0.194 68.647 68.868 -0.046 0.000 0.866 240 T HN 0.059 nan 8.240 nan 0.000 0.434 241 L N 1.127 122.314 121.223 -0.060 0.000 2.362 241 L HA -0.011 4.222 4.340 -0.179 0.000 0.219 241 L C 2.499 179.293 176.870 -0.127 0.000 1.134 241 L CA 1.181 55.974 54.840 -0.077 0.000 0.807 241 L CB -0.564 41.476 42.059 -0.032 0.000 0.927 241 L HN 0.205 nan 8.230 nan 0.000 0.447 242 Q N 0.064 119.781 119.800 -0.138 0.000 2.020 242 Q HA -0.146 4.087 4.340 -0.179 0.000 0.198 242 Q C 2.200 177.984 176.000 -0.359 0.000 0.974 242 Q CA 1.813 57.465 55.803 -0.252 0.000 0.829 242 Q CB -0.240 28.373 28.738 -0.208 0.000 0.894 242 Q HN 0.487 nan 8.270 nan 0.000 0.433 243 I N 0.057 120.514 120.570 -0.188 0.000 2.208 243 I HA -0.275 3.788 4.170 -0.179 0.000 0.245 243 I C 2.057 178.064 176.117 -0.183 0.000 1.097 243 I CA 0.896 62.184 61.300 -0.020 0.000 1.363 243 I CB -0.222 37.802 38.000 0.040 0.000 1.051 243 I HN 0.305 nan 8.210 nan 0.000 0.413 244 L N -0.369 120.683 121.223 -0.286 0.000 2.023 244 L HA -0.176 4.056 4.340 -0.179 0.000 0.205 244 L C 2.436 179.231 176.870 -0.124 0.000 1.073 244 L CA 1.321 55.982 54.840 -0.298 0.000 0.745 244 L CB -0.604 41.316 42.059 -0.231 0.000 0.900 244 L HN 0.289 nan 8.230 nan 0.000 0.435 245 L N -1.155 119.977 121.223 -0.152 0.000 2.240 245 L HA -0.053 4.180 4.340 -0.179 0.000 0.211 245 L C 2.243 178.974 176.870 -0.232 0.000 1.106 245 L CA 1.167 55.912 54.840 -0.157 0.000 0.793 245 L CB -0.308 41.652 42.059 -0.165 0.000 0.927 245 L HN 0.088 nan 8.230 nan 0.000 0.446 246 V N -2.328 117.401 119.914 -0.309 0.000 2.908 246 V HA -0.091 3.922 4.120 -0.179 0.000 0.240 246 V C 2.053 178.072 176.094 -0.126 0.000 1.117 246 V CA 0.501 62.569 62.300 -0.386 0.000 1.133 246 V CB 0.248 31.707 31.823 -0.607 0.000 0.857 246 V HN 0.250 nan 8.190 nan 0.000 0.478 247 Y N -1.512 118.805 120.300 0.029 0.000 2.231 247 Y HA -0.030 4.411 4.550 -0.181 0.000 0.294 247 Y C 2.227 178.204 175.900 0.129 0.000 1.120 247 Y CA 1.442 59.594 58.100 0.087 0.000 1.141 247 Y CB -0.062 38.490 38.460 0.153 0.000 1.022 247 Y HN 0.187 nan 8.280 nan 0.000 0.523 248 F N -1.172 118.818 119.950 0.066 0.000 2.325 248 F HA -0.169 4.251 4.527 -0.178 0.000 0.299 248 F C 2.036 177.834 175.800 -0.003 0.000 1.090 248 F CA 0.268 58.275 58.000 0.011 0.000 1.392 248 F CB -0.029 38.985 39.000 0.023 0.000 1.053 248 F HN -0.142 nan 8.300 nan 0.000 0.521 249 V N -0.024 119.991 119.914 0.168 0.000 2.407 249 V HA -0.220 3.793 4.120 -0.179 0.000 0.245 249 V C 2.100 178.243 176.094 0.083 0.000 1.041 249 V CA 1.237 63.585 62.300 0.081 0.000 1.040 249 V CB -0.285 31.549 31.823 0.018 0.000 0.671 249 V HN 0.294 nan 8.190 nan 0.000 0.455 250 L N -0.923 120.357 121.223 0.095 0.000 2.217 250 L HA -0.107 4.125 4.340 -0.179 0.000 0.211 250 L C 2.306 179.260 176.870 0.141 0.000 1.107 250 L CA 0.686 55.618 54.840 0.153 0.000 0.783 250 L CB -0.258 41.895 42.059 0.157 0.000 0.919 250 L HN 0.309 nan 8.230 nan 0.000 0.442 251 L N -0.010 121.229 121.223 0.026 0.000 1.988 251 L HA -0.200 4.033 4.340 -0.179 0.000 0.207 251 L C 2.532 179.399 176.870 -0.006 0.000 1.071 251 L CA 1.731 56.522 54.840 -0.082 0.000 0.744 251 L CB -0.764 41.122 42.059 -0.289 0.000 0.893 251 L HN 0.070 nan 8.230 nan 0.000 0.433 252 K N -0.087 120.305 120.400 -0.013 0.000 2.001 252 K HA -0.200 4.013 4.320 -0.179 0.000 0.214 252 K C 2.073 178.686 176.600 0.022 0.000 1.050 252 K CA 1.579 57.864 56.287 -0.003 0.000 0.934 252 K CB -0.693 31.813 32.500 0.010 0.000 0.718 252 K HN 0.217 nan 8.250 nan 0.000 0.443 253 I N 0.129 120.731 120.570 0.054 0.000 2.530 253 I HA -0.268 3.795 4.170 -0.179 0.000 0.257 253 I C 0.834 176.905 176.117 -0.077 0.000 1.179 253 I CA 1.619 62.928 61.300 0.015 0.000 1.440 253 I CB -0.079 37.956 38.000 0.058 0.000 1.087 253 I HN 0.302 nan 8.210 nan 0.000 0.440 254 Y N 0.394 120.682 120.300 -0.020 0.000 2.449 254 Y HA 0.277 4.720 4.550 -0.178 0.000 0.254 254 Y C 1.511 177.392 175.900 -0.032 0.000 1.140 254 Y CA 0.607 58.694 58.100 -0.022 0.000 1.272 254 Y CB 0.387 38.832 38.460 -0.025 0.000 1.114 254 Y HN 0.293 nan 8.280 nan 0.000 0.525 255 G N 1.658 110.485 108.800 0.046 0.000 2.203 255 G HA2 -0.279 3.573 3.960 -0.179 0.000 0.231 255 G HA3 -0.279 3.573 3.960 -0.179 0.000 0.231 255 G C -0.295 174.610 174.900 0.008 0.000 1.058 255 G CA 0.179 45.284 45.100 0.009 0.000 0.781 255 G HN 0.346 nan 8.290 nan 0.000 0.496 256 I N 0.088 120.654 120.570 -0.006 0.000 2.468 256 I HA 0.521 4.583 4.170 -0.179 0.000 0.284 256 I C -0.101 175.975 176.117 -0.068 0.000 1.038 256 I CA -1.028 60.255 61.300 -0.029 0.000 1.083 256 I CB 1.187 39.175 38.000 -0.019 0.000 1.223 256 I HN 0.093 nan 8.210 nan 0.000 0.443 257 D N 9.312 129.679 120.400 -0.055 0.000 2.502 257 D HA 0.040 4.572 4.640 -0.179 0.000 0.249 257 D C -1.703 174.524 176.300 -0.121 0.000 1.188 257 D CA -0.760 53.197 54.000 -0.073 0.000 0.890 257 D CB 1.221 41.998 40.800 -0.039 0.000 1.140 257 D HN 0.334 nan 8.370 nan 0.000 0.505 258 P HA -0.105 nan 4.420 nan 0.000 0.217 258 P C 1.057 178.118 177.300 -0.398 0.000 1.150 258 P CA 0.907 63.659 63.100 -0.580 0.000 0.832 258 P CB 0.137 31.226 31.700 -1.019 0.000 0.787 259 I N -0.896 119.563 120.570 -0.184 0.000 2.500 259 I HA -0.099 3.964 4.170 -0.179 0.000 0.252 259 I C 2.668 178.813 176.117 0.047 0.000 1.142 259 I CA 1.844 63.139 61.300 -0.007 0.000 1.451 259 I CB -1.630 36.395 38.000 0.043 0.000 1.093 259 I HN -0.109 nan 8.210 nan 0.000 0.430 260 S N 0.493 116.213 115.700 0.032 0.000 2.402 260 S HA -0.166 4.197 4.470 -0.179 0.000 0.229 260 S C 2.049 176.699 174.600 0.084 0.000 1.021 260 S CA 1.097 59.337 58.200 0.066 0.000 0.974 260 S CB -0.840 62.369 63.200 0.015 0.000 0.800 260 S HN 0.408 nan 8.310 nan 0.000 0.484 261 F N 1.291 121.176 119.950 -0.109 0.000 2.186 261 F HA -0.001 4.418 4.527 -0.180 0.000 0.299 261 F C 1.759 177.554 175.800 -0.009 0.000 1.090 261 F CA 0.855 58.790 58.000 -0.109 0.000 1.307 261 F CB 0.071 38.968 39.000 -0.172 0.000 1.019 261 F HN 0.157 nan 8.300 nan 0.000 0.489 262 I N 1.522 122.196 120.570 0.173 0.000 2.546 262 I HA -0.161 3.902 4.170 -0.179 0.000 0.255 262 I C 2.674 178.824 176.117 0.054 0.000 1.163 262 I CA 1.498 62.886 61.300 0.145 0.000 1.457 262 I CB -1.817 36.347 38.000 0.274 0.000 1.092 262 I HN 0.238 nan 8.210 nan 0.000 0.434 263 K N -0.194 120.250 120.400 0.073 0.000 2.097 263 K HA -0.194 4.018 4.320 -0.179 0.000 0.206 263 K C 2.041 178.627 176.600 -0.022 0.000 1.049 263 K CA 1.763 58.075 56.287 0.041 0.000 0.933 263 K CB -1.292 31.250 32.500 0.070 0.000 0.717 263 K HN 0.413 nan 8.250 nan 0.000 0.442 264 H N -0.453 118.526 119.070 -0.153 0.000 2.403 264 H HA 0.319 4.767 4.556 -0.180 0.000 0.298 264 H C 2.413 177.588 175.328 -0.254 0.000 1.059 264 H CA 1.245 57.170 56.048 -0.203 0.000 1.363 264 H CB 0.001 29.614 29.762 -0.248 0.000 1.410 264 H HN 0.522 nan 8.280 nan 0.000 0.528 265 A N 0.996 123.674 122.820 -0.237 0.000 2.168 265 A HA -0.057 4.155 4.320 -0.179 0.000 0.215 265 A C 2.453 179.976 177.584 -0.102 0.000 1.152 265 A CA 1.418 53.302 52.037 -0.255 0.000 0.716 265 A CB -0.806 17.963 19.000 -0.385 0.000 0.794 265 A HN 0.487 nan 8.150 nan 0.000 0.465 266 K N 0.371 120.730 120.400 -0.069 0.000 2.077 266 K HA -0.296 3.917 4.320 -0.179 0.000 0.213 266 K C 1.642 178.230 176.600 -0.020 0.000 1.051 266 K CA 2.287 58.554 56.287 -0.034 0.000 0.929 266 K CB -1.164 31.314 32.500 -0.037 0.000 0.715 266 K HN 0.535 nan 8.250 nan 0.000 0.451 267 D N -0.517 119.869 120.400 -0.024 0.000 2.097 267 D HA 0.036 4.569 4.640 -0.179 0.000 0.197 267 D C 2.243 178.565 176.300 0.036 0.000 0.984 267 D CA 1.714 55.718 54.000 0.007 0.000 0.826 267 D CB -0.333 40.468 40.800 0.003 0.000 0.973 267 D HN 0.516 nan 8.370 nan 0.000 0.460 268 A N -0.006 122.823 122.820 0.015 0.000 1.970 268 A HA -0.052 4.160 4.320 -0.179 0.000 0.216 268 A C 2.147 179.762 177.584 0.052 0.000 1.170 268 A CA 0.957 53.013 52.037 0.032 0.000 0.645 268 A CB -0.412 18.589 19.000 0.002 0.000 0.816 268 A HN 0.137 nan 8.150 nan 0.000 0.447 269 M N -0.465 119.157 119.600 0.036 0.000 2.086 269 M HA -0.055 4.318 4.480 -0.179 0.000 0.261 269 M C 1.881 178.240 176.300 0.098 0.000 1.067 269 M CA 1.608 56.944 55.300 0.059 0.000 1.116 269 M CB -0.294 32.324 32.600 0.030 0.000 1.348 269 M HN 0.392 nan 8.290 nan 0.000 0.407 270 L N -1.187 120.083 121.223 0.078 0.000 2.179 270 L HA -0.129 4.103 4.340 -0.179 0.000 0.208 270 L C 2.456 179.444 176.870 0.196 0.000 1.096 270 L CA 1.590 56.493 54.840 0.104 0.000 0.779 270 L CB -0.939 41.145 42.059 0.041 0.000 0.922 270 L HN 0.504 nan 8.230 nan 0.000 0.443 271 T N -3.003 111.664 114.554 0.190 0.000 2.896 271 T HA -0.037 4.206 4.350 -0.179 0.000 0.263 271 T C 1.971 176.793 174.700 0.204 0.000 1.050 271 T CA 0.754 63.012 62.100 0.263 0.000 1.140 271 T CB -0.273 68.781 68.868 0.310 0.000 0.877 271 T HN 0.243 nan 8.240 nan 0.000 0.457 272 A N 0.732 123.645 122.820 0.155 0.000 1.978 272 A HA 0.066 4.278 4.320 -0.179 0.000 0.220 272 A C 2.022 179.694 177.584 0.147 0.000 1.170 272 A CA 1.357 53.465 52.037 0.120 0.000 0.636 272 A CB -1.173 17.888 19.000 0.103 0.000 0.810 272 A HN 0.531 nan 8.150 nan 0.000 0.448 273 F N 0.692 120.673 119.950 0.052 0.000 2.146 273 F HA -0.137 4.295 4.527 -0.159 0.000 0.298 273 F C 2.217 178.057 175.800 0.067 0.000 1.096 273 F CA 2.027 60.056 58.000 0.049 0.000 1.275 273 F CB 0.093 39.116 39.000 0.038 0.000 1.008 273 F HN 0.125 nan 8.300 nan 0.000 0.480 274 V N -4.571 115.475 119.914 0.222 0.000 3.174 274 V HA 0.005 4.018 4.120 -0.179 0.000 0.254 274 V C 1.804 177.962 176.094 0.108 0.000 1.120 274 V CA 1.677 64.065 62.300 0.147 0.000 1.114 274 V CB -0.736 31.222 31.823 0.224 0.000 0.756 274 V HN 0.254 nan 8.190 nan 0.000 0.467 275 T N -0.191 114.428 114.554 0.107 0.000 2.937 275 T HA 0.127 4.370 4.350 -0.179 0.000 0.260 275 T C 1.085 175.779 174.700 -0.011 0.000 1.051 275 T CA 0.931 63.054 62.100 0.037 0.000 1.141 275 T CB -0.213 68.645 68.868 -0.017 0.000 0.879 275 T HN 0.552 nan 8.240 nan 0.000 0.459 276 R N 0.400 120.886 120.500 -0.024 0.000 3.875 276 R HA -0.118 4.115 4.340 -0.179 0.000 0.321 276 R C -0.223 176.054 176.300 -0.038 0.000 1.196 276 R CA 0.554 56.621 56.100 -0.055 0.000 0.868 276 R CB -2.115 28.136 30.300 -0.082 0.000 1.333 276 R HN 0.251 nan 8.270 nan 0.000 0.522 277 S N -0.731 114.954 115.700 -0.025 0.000 2.733 277 S HA 0.368 4.730 4.470 -0.179 0.000 0.307 277 S C 0.915 175.506 174.600 -0.014 0.000 1.127 277 S CA -0.196 57.989 58.200 -0.026 0.000 1.097 277 S CB 1.769 64.946 63.200 -0.038 0.000 1.003 277 S HN 0.267 nan 8.310 nan 0.000 0.477 278 S N 3.311 119.007 115.700 -0.008 0.000 2.377 278 S HA -0.160 4.203 4.470 -0.179 0.000 0.224 278 S C 2.183 176.783 174.600 -0.001 0.000 1.042 278 S CA 2.574 60.774 58.200 0.001 0.000 1.086 278 S CB -0.486 62.712 63.200 -0.004 0.000 0.995 278 S HN 0.964 nan 8.310 nan 0.000 0.428 279 S N 0.296 115.993 115.700 -0.005 0.000 2.453 279 S HA 0.100 4.463 4.470 -0.179 0.000 0.231 279 S C 2.011 176.603 174.600 -0.014 0.000 1.005 279 S CA 1.001 59.200 58.200 -0.002 0.000 0.949 279 S CB -0.879 62.322 63.200 0.002 0.000 0.774 279 S HN 0.573 nan 8.310 nan 0.000 0.510 280 G N 1.971 110.754 108.800 -0.029 0.000 2.422 280 G HA2 -0.093 3.759 3.960 -0.179 0.000 0.218 280 G HA3 -0.093 3.759 3.960 -0.179 0.000 0.218 280 G C 1.469 176.328 174.900 -0.069 0.000 1.140 280 G CA 1.262 46.328 45.100 -0.056 0.000 0.775 280 G HN 0.717 nan 8.290 nan 0.000 0.545 281 T N -1.325 113.204 114.554 -0.041 0.000 3.105 281 T HA 0.329 4.572 4.350 -0.179 0.000 0.253 281 T C 2.116 176.816 174.700 0.001 0.000 1.047 281 T CA -0.277 61.809 62.100 -0.025 0.000 0.944 281 T CB 0.124 68.995 68.868 0.006 0.000 1.016 281 T HN 0.126 nan 8.240 nan 0.000 0.544 282 L N 1.123 122.347 121.223 0.003 0.000 2.030 282 L HA -0.116 4.117 4.340 -0.179 0.000 0.222 282 L C -0.458 176.423 176.870 0.019 0.000 1.082 282 L CA 2.113 56.966 54.840 0.021 0.000 0.785 282 L CB -1.346 40.728 42.059 0.025 0.000 0.895 282 L HN 0.261 nan 8.230 nan 0.000 0.439 283 P HA -0.175 nan 4.420 nan 0.000 0.216 283 P C 1.758 179.065 177.300 0.013 0.000 1.153 283 P CA 1.449 64.527 63.100 -0.036 0.000 0.858 283 P CB 0.028 31.696 31.700 -0.054 0.000 0.789 284 V N -0.738 119.192 119.914 0.027 0.000 2.488 284 V HA -0.172 3.840 4.120 -0.179 0.000 0.246 284 V C 2.270 178.386 176.094 0.037 0.000 1.046 284 V CA 2.405 64.735 62.300 0.049 0.000 1.053 284 V CB -2.074 29.792 31.823 0.070 0.000 0.679 284 V HN 0.227 nan 8.190 nan 0.000 0.458 285 T N -1.378 113.195 114.554 0.032 0.000 2.867 285 T HA -0.139 4.104 4.350 -0.179 0.000 0.268 285 T C 1.857 176.571 174.700 0.022 0.000 1.057 285 T CA 1.422 63.535 62.100 0.022 0.000 1.136 285 T CB -0.246 68.643 68.868 0.034 0.000 0.874 285 T HN 0.288 nan 8.240 nan 0.000 0.466 286 M N 0.481 120.124 119.600 0.072 0.000 2.160 286 M HA 0.065 4.438 4.480 -0.179 0.000 0.264 286 M C 2.810 179.170 176.300 0.100 0.000 1.073 286 M CA 1.090 56.474 55.300 0.139 0.000 1.142 286 M CB -0.218 32.532 32.600 0.250 0.000 1.358 286 M HN 0.099 nan 8.290 nan 0.000 0.422 287 R N 0.308 120.937 120.500 0.215 0.000 2.115 287 R HA -0.081 4.151 4.340 -0.179 0.000 0.230 287 R C 1.574 177.861 176.300 -0.022 0.000 1.111 287 R CA 1.292 57.522 56.100 0.216 0.000 0.976 287 R CB -0.531 29.951 30.300 0.303 0.000 0.870 287 R HN 0.247 nan 8.270 nan 0.000 0.445 288 V N 1.276 121.166 119.914 -0.041 0.000 2.970 288 V HA -0.078 3.935 4.120 -0.179 0.000 0.260 288 V C 2.328 178.330 176.094 -0.154 0.000 1.100 288 V CA 1.389 63.638 62.300 -0.085 0.000 1.122 288 V CB -0.063 31.717 31.823 -0.072 0.000 0.721 288 V HN 0.490 nan 8.190 nan 0.000 0.483 289 A N -0.537 122.127 122.820 -0.260 0.000 1.935 289 A HA -0.093 4.120 4.320 -0.179 0.000 0.214 289 A C 2.270 179.504 177.584 -0.583 0.000 1.178 289 A CA 1.401 53.194 52.037 -0.407 0.000 0.640 289 A CB -0.247 18.459 19.000 -0.491 0.000 0.825 289 A HN 0.462 nan 8.150 nan 0.000 0.447 290 K N -0.041 119.931 120.400 -0.714 0.000 2.025 290 K HA -0.131 4.082 4.320 -0.179 0.000 0.207 290 K C 1.900 178.372 176.600 -0.214 0.000 1.049 290 K CA 1.484 57.479 56.287 -0.487 0.000 0.933 290 K CB -0.160 32.092 32.500 -0.413 0.000 0.714 290 K HN 0.512 nan 8.250 nan 0.000 0.438 291 E N 0.124 120.228 120.200 -0.160 0.000 2.472 291 E HA -0.154 4.088 4.350 -0.179 0.000 0.200 291 E C 1.664 178.287 176.600 0.039 0.000 1.046 291 E CA 0.460 56.822 56.400 -0.064 0.000 0.871 291 E CB 0.091 29.753 29.700 -0.064 0.000 0.806 291 E HN 0.362 nan 8.360 nan 0.000 0.533 292 M N -1.390 118.210 119.600 -0.000 0.000 2.514 292 M HA 0.054 4.427 4.480 -0.179 0.000 0.258 292 M C 1.118 177.389 176.300 -0.048 0.000 1.119 292 M CA 1.146 56.453 55.300 0.012 0.000 1.111 292 M CB 0.674 33.210 32.600 -0.106 0.000 1.390 292 M HN 0.270 nan 8.290 nan 0.000 0.475 293 G N 1.011 109.786 108.800 -0.041 0.000 2.159 293 G HA2 -0.193 3.659 3.960 -0.179 0.000 0.227 293 G HA3 -0.193 3.659 3.960 -0.179 0.000 0.227 293 G C 0.112 175.014 174.900 0.004 0.000 0.986 293 G CA -0.049 45.039 45.100 -0.019 0.000 0.651 293 G HN 0.464 nan 8.290 nan 0.000 0.523 294 I N 1.844 122.417 120.570 0.005 0.000 2.823 294 I HA 0.455 4.517 4.170 -0.179 0.000 0.290 294 I C 1.191 177.449 176.117 0.234 0.000 1.091 294 I CA -0.090 61.269 61.300 0.098 0.000 1.365 294 I CB 1.225 39.295 38.000 0.116 0.000 1.427 294 I HN 0.307 nan 8.210 nan 0.000 0.583 295 S N 2.099 117.933 115.700 0.223 0.000 2.554 295 S HA 0.246 4.608 4.470 -0.179 0.000 0.278 295 S C 0.576 175.219 174.600 0.072 0.000 1.242 295 S CA -0.797 57.502 58.200 0.164 0.000 1.051 295 S CB 1.622 64.859 63.200 0.062 0.000 0.986 295 S HN 0.652 nan 8.310 nan 0.000 0.502 296 E N 2.269 122.404 120.200 -0.108 0.000 2.267 296 E HA -0.136 4.106 4.350 -0.179 0.000 0.197 296 E C 2.054 178.464 176.600 -0.316 0.000 0.998 296 E CA 1.025 57.116 56.400 -0.516 0.000 0.830 296 E CB -0.566 28.966 29.700 -0.280 0.000 0.751 296 E HN 0.940 nan 8.360 nan 0.000 0.491 297 G N 1.174 109.890 108.800 -0.140 0.000 2.469 297 G HA2 -0.244 3.608 3.960 -0.179 0.000 0.219 297 G HA3 -0.244 3.608 3.960 -0.179 0.000 0.219 297 G C 1.529 176.409 174.900 -0.034 0.000 1.150 297 G CA 0.792 45.844 45.100 -0.080 0.000 0.763 297 G HN 0.144 nan 8.290 nan 0.000 0.561 298 I N -0.847 119.719 120.570 -0.006 0.000 2.726 298 I HA 0.067 4.129 4.170 -0.179 0.000 0.243 298 I C 2.523 178.693 176.117 0.089 0.000 1.082 298 I CA 0.655 62.002 61.300 0.078 0.000 1.447 298 I CB -0.520 37.530 38.000 0.083 0.000 1.250 298 I HN 0.322 nan 8.210 nan 0.000 0.453 299 Y N 1.386 121.730 120.300 0.073 0.000 2.207 299 Y HA -0.191 4.252 4.550 -0.179 0.000 0.287 299 Y C 2.517 178.474 175.900 0.094 0.000 1.156 299 Y CA 1.408 59.548 58.100 0.067 0.000 1.182 299 Y CB -1.117 37.376 38.460 0.055 0.000 0.979 299 Y HN 0.168 nan 8.280 nan 0.000 0.521 300 S N 0.080 115.519 115.700 -0.435 0.000 2.474 300 S HA -0.082 4.281 4.470 -0.179 0.000 0.235 300 S C 1.621 176.257 174.600 0.059 0.000 0.997 300 S CA 1.248 59.312 58.200 -0.226 0.000 0.949 300 S CB -0.901 62.080 63.200 -0.364 0.000 0.766 300 S HN 0.658 nan 8.310 nan 0.000 0.517 301 F N 1.754 121.673 119.950 -0.050 0.000 2.514 301 F HA 0.086 4.506 4.527 -0.177 0.000 0.281 301 F C 2.301 178.146 175.800 0.075 0.000 1.060 301 F CA 1.618 59.626 58.000 0.013 0.000 1.397 301 F CB -0.310 38.683 39.000 -0.011 0.000 1.129 301 F HN 0.114 nan 8.300 nan 0.000 0.620 302 T N -0.609 113.817 114.554 -0.213 0.000 3.085 302 T HA 0.044 4.286 4.350 -0.179 0.000 0.263 302 T C 1.883 176.577 174.700 -0.010 0.000 1.127 302 T CA 1.040 62.980 62.100 -0.268 0.000 1.103 302 T CB -0.553 68.232 68.868 -0.137 0.000 0.921 302 T HN 0.369 nan 8.240 nan 0.000 0.510 303 L N 0.569 121.825 121.223 0.054 0.000 2.102 303 L HA 0.168 4.401 4.340 -0.179 0.000 0.202 303 L C -0.444 176.464 176.870 0.063 0.000 1.076 303 L CA 0.627 55.528 54.840 0.102 0.000 0.761 303 L CB -1.136 41.021 42.059 0.163 0.000 0.921 303 L HN 0.191 nan 8.230 nan 0.000 0.444 304 P HA -0.128 nan 4.420 nan 0.000 0.218 304 P C 1.781 179.093 177.300 0.020 0.000 1.152 304 P CA 0.883 64.012 63.100 0.048 0.000 0.826 304 P CB 0.117 31.865 31.700 0.080 0.000 0.790 305 L N -0.483 120.723 121.223 -0.029 0.000 2.353 305 L HA 0.043 4.276 4.340 -0.179 0.000 0.220 305 L C 1.975 178.853 176.870 0.013 0.000 1.133 305 L CA 1.690 56.516 54.840 -0.023 0.000 0.798 305 L CB -1.086 40.860 42.059 -0.189 0.000 0.922 305 L HN -0.040 nan 8.230 nan 0.000 0.445 306 G N -1.896 106.901 108.800 -0.004 0.000 2.744 306 G HA2 0.067 3.919 3.960 -0.179 0.000 0.211 306 G HA3 0.067 3.919 3.960 -0.179 0.000 0.211 306 G C 1.240 176.037 174.900 -0.173 0.000 1.146 306 G CA 0.348 45.304 45.100 -0.240 0.000 0.787 306 G HN 0.441 nan 8.290 nan 0.000 0.534 307 A N 0.161 122.945 122.820 -0.060 0.000 2.327 307 A HA 0.474 4.687 4.320 -0.179 0.000 0.228 307 A C 1.516 179.082 177.584 -0.030 0.000 1.275 307 A CA 1.161 53.178 52.037 -0.034 0.000 0.875 307 A CB -0.046 18.953 19.000 -0.000 0.000 0.925 307 A HN 0.150 nan 8.150 nan 0.000 0.493 308 T N -1.885 112.640 114.554 -0.048 0.000 3.092 308 T HA 0.283 4.526 4.350 -0.179 0.000 0.273 308 T C 0.974 175.653 174.700 -0.034 0.000 0.898 308 T CA 0.413 62.501 62.100 -0.021 0.000 0.868 308 T CB -0.009 68.867 68.868 0.013 0.000 1.228 308 T HN 0.324 nan 8.240 nan 0.000 0.555 309 I N -0.285 120.226 120.570 -0.098 0.000 4.578 309 I HA 0.302 4.364 4.170 -0.179 0.000 0.312 309 I C 0.281 176.282 176.117 -0.192 0.000 1.224 309 I CA -0.160 61.082 61.300 -0.096 0.000 1.318 309 I CB 0.410 38.395 38.000 -0.025 0.000 1.388 309 I HN -0.066 nan 8.210 nan 0.000 0.461 310 N N 2.130 120.581 118.700 -0.415 0.000 2.807 310 N HA 0.309 4.942 4.740 -0.179 0.000 0.259 310 N C -0.703 174.711 175.510 -0.159 0.000 1.149 310 N CA 0.042 52.842 53.050 -0.418 0.000 1.042 310 N CB 0.115 38.056 38.487 -0.909 0.000 1.367 310 N HN 0.077 nan 8.380 nan 0.000 0.516 311 M N 1.512 121.073 119.600 -0.065 0.000 2.495 311 M HA 0.237 4.610 4.480 -0.179 0.000 0.346 311 M C 0.507 176.834 176.300 0.044 0.000 1.251 311 M CA -0.390 54.912 55.300 0.004 0.000 1.249 311 M CB 1.132 33.740 32.600 0.014 0.000 1.229 311 M HN 0.225 nan 8.290 nan 0.000 0.450 312 D N 1.453 121.901 120.400 0.080 0.000 2.120 312 D HA -0.015 4.517 4.640 -0.179 0.000 0.202 312 D C 1.914 178.276 176.300 0.103 0.000 0.972 312 D CA 1.388 55.451 54.000 0.106 0.000 0.837 312 D CB 0.023 40.931 40.800 0.181 0.000 0.989 312 D HN 0.702 nan 8.370 nan 0.000 0.469 313 G N -0.333 108.535 108.800 0.113 0.000 2.422 313 G HA2 -0.210 3.642 3.960 -0.179 0.000 0.218 313 G HA3 -0.210 3.642 3.960 -0.179 0.000 0.218 313 G C 1.716 176.690 174.900 0.123 0.000 1.140 313 G CA 1.273 46.439 45.100 0.110 0.000 0.775 313 G HN 0.225 nan 8.290 nan 0.000 0.545 314 T N 1.287 115.904 114.554 0.106 0.000 2.770 314 T HA 0.099 4.342 4.350 -0.179 0.000 0.263 314 T C 2.811 177.627 174.700 0.193 0.000 1.039 314 T CA 1.346 63.529 62.100 0.139 0.000 1.142 314 T CB -0.314 68.603 68.868 0.082 0.000 0.868 314 T HN 0.329 nan 8.240 nan 0.000 0.435 315 A N 0.807 123.704 122.820 0.128 0.000 2.070 315 A HA 0.027 4.240 4.320 -0.179 0.000 0.220 315 A C 2.206 179.854 177.584 0.106 0.000 1.159 315 A CA 1.067 53.169 52.037 0.107 0.000 0.656 315 A CB -0.714 18.330 19.000 0.074 0.000 0.800 315 A HN 0.501 nan 8.150 nan 0.000 0.453 316 L N -1.777 119.517 121.223 0.120 0.000 2.005 316 L HA -0.139 4.094 4.340 -0.179 0.000 0.207 316 L C 2.451 179.400 176.870 0.133 0.000 1.072 316 L CA 2.170 57.074 54.840 0.106 0.000 0.744 316 L CB -0.495 41.624 42.059 0.100 0.000 0.895 316 L HN 0.549 nan 8.230 nan 0.000 0.433 317 Y N 0.536 120.866 120.300 0.051 0.000 2.151 317 Y HA -0.353 4.090 4.550 -0.178 0.000 0.284 317 Y C 2.477 178.418 175.900 0.067 0.000 1.166 317 Y CA 2.146 60.277 58.100 0.053 0.000 1.163 317 Y CB -0.403 38.089 38.460 0.053 0.000 0.974 317 Y HN 0.323 nan 8.280 nan 0.000 0.511 318 Q N -0.195 119.611 119.800 0.009 0.000 2.297 318 Q HA -0.120 4.112 4.340 -0.179 0.000 0.208 318 Q C 2.390 178.371 176.000 -0.033 0.000 0.981 318 Q CA 1.016 56.781 55.803 -0.062 0.000 0.876 318 Q CB -0.383 28.392 28.738 0.062 0.000 0.921 318 Q HN 0.711 nan 8.270 nan 0.000 0.446 319 G N 0.127 108.929 108.800 0.003 0.000 2.404 319 G HA2 -0.193 3.660 3.960 -0.179 0.000 0.213 319 G HA3 -0.193 3.660 3.960 -0.179 0.000 0.213 319 G C 1.392 176.318 174.900 0.044 0.000 1.189 319 G CA 0.698 45.816 45.100 0.031 0.000 0.796 319 G HN 0.334 nan 8.290 nan 0.000 0.532 320 V N -0.244 119.665 119.914 -0.008 0.000 2.719 320 V HA -0.057 3.956 4.120 -0.179 0.000 0.252 320 V C 2.528 178.658 176.094 0.060 0.000 1.065 320 V CA 1.960 64.275 62.300 0.024 0.000 1.086 320 V CB -0.494 31.322 31.823 -0.013 0.000 0.700 320 V HN 0.391 nan 8.190 nan 0.000 0.467 321 C N 0.439 119.671 119.300 -0.112 0.000 2.466 321 C HA -0.092 4.261 4.460 -0.179 0.000 0.278 321 C C 2.866 177.905 174.990 0.081 0.000 1.288 321 C CA 1.874 60.820 59.018 -0.119 0.000 1.722 321 C CB -1.237 26.214 27.740 -0.483 0.000 2.017 321 C HN 0.698 nan 8.230 nan 0.000 0.488 322 T N 0.412 115.008 114.554 0.070 0.000 2.699 322 T HA -0.165 4.077 4.350 -0.179 0.000 0.268 322 T C 1.404 176.180 174.700 0.126 0.000 1.036 322 T CA 1.927 64.084 62.100 0.095 0.000 1.147 322 T CB -0.426 68.504 68.868 0.104 0.000 0.862 322 T HN 0.497 nan 8.240 nan 0.000 0.446 323 F N 0.407 120.380 119.950 0.038 0.000 2.113 323 F HA 0.071 4.488 4.527 -0.182 0.000 0.297 323 F C 1.944 177.789 175.800 0.074 0.000 1.103 323 F CA 0.649 58.678 58.000 0.049 0.000 1.248 323 F CB -0.695 38.339 39.000 0.056 0.000 0.999 323 F HN 0.139 nan 8.300 nan 0.000 0.475 324 F N 0.480 120.516 119.950 0.143 0.000 2.095 324 F HA -0.235 4.197 4.527 -0.159 0.000 0.298 324 F C 2.171 177.991 175.800 0.034 0.000 1.104 324 F CA 1.664 59.711 58.000 0.077 0.000 1.232 324 F CB -0.608 38.422 39.000 0.050 0.000 0.987 324 F HN -0.084 nan 8.300 nan 0.000 0.475 325 I N 0.245 120.888 120.570 0.122 0.000 2.179 325 I HA -0.295 3.768 4.170 -0.179 0.000 0.242 325 I C 2.617 178.662 176.117 -0.121 0.000 1.088 325 I CA 1.351 62.656 61.300 0.007 0.000 1.357 325 I CB -0.746 37.323 38.000 0.116 0.000 1.051 325 I HN 0.252 nan 8.210 nan 0.000 0.409 326 A N 0.226 122.967 122.820 -0.132 0.000 2.066 326 A HA -0.137 4.075 4.320 -0.179 0.000 0.218 326 A C 1.954 179.412 177.584 -0.210 0.000 1.157 326 A CA 1.398 53.320 52.037 -0.192 0.000 0.670 326 A CB -0.466 18.364 19.000 -0.284 0.000 0.804 326 A HN 0.386 nan 8.150 nan 0.000 0.453 327 N N 0.358 118.929 118.700 -0.215 0.000 2.290 327 N HA 0.020 4.652 4.740 -0.179 0.000 0.179 327 N C 1.877 177.247 175.510 -0.233 0.000 1.016 327 N CA 1.290 54.226 53.050 -0.189 0.000 0.871 327 N CB -0.460 37.955 38.487 -0.121 0.000 0.987 327 N HN 0.408 nan 8.380 nan 0.000 0.431 328 A N 0.552 123.156 122.820 -0.360 0.000 1.902 328 A HA -0.070 4.143 4.320 -0.179 0.000 0.217 328 A C 2.030 179.505 177.584 -0.181 0.000 1.181 328 A CA 1.131 52.966 52.037 -0.338 0.000 0.623 328 A CB -0.492 18.238 19.000 -0.449 0.000 0.818 328 A HN 0.149 nan 8.150 nan 0.000 0.443 329 L N -1.406 119.725 121.223 -0.153 0.000 2.270 329 L HA 0.227 4.460 4.340 -0.179 0.000 0.210 329 L C 1.632 178.444 176.870 -0.096 0.000 1.104 329 L CA 1.323 56.101 54.840 -0.103 0.000 0.804 329 L CB -0.563 41.443 42.059 -0.089 0.000 0.937 329 L HN 0.664 nan 8.230 nan 0.000 0.450 330 G N -0.744 107.987 108.800 -0.114 0.000 2.303 330 G HA2 -0.171 3.682 3.960 -0.179 0.000 0.260 330 G HA3 -0.171 3.682 3.960 -0.179 0.000 0.260 330 G C 0.318 175.161 174.900 -0.096 0.000 1.106 330 G CA 0.218 45.260 45.100 -0.096 0.000 0.900 330 G HN 0.662 nan 8.290 nan 0.000 0.495 331 S N -1.175 114.451 115.700 -0.124 0.000 2.585 331 S HA 0.792 5.155 4.470 -0.179 0.000 0.277 331 S C 1.191 175.704 174.600 -0.145 0.000 1.241 331 S CA 0.789 58.914 58.200 -0.125 0.000 1.041 331 S CB 0.517 63.634 63.200 -0.137 0.000 0.987 331 S HN 1.941 nan 8.310 nan 0.000 0.512 332 H N 0.681 119.684 119.070 -0.113 0.000 2.524 332 H HA 0.369 4.817 4.556 -0.179 0.000 0.282 332 H C 1.266 176.517 175.328 -0.129 0.000 1.016 332 H CA 1.014 57.004 56.048 -0.098 0.000 1.270 332 H CB -0.666 29.060 29.762 -0.061 0.000 1.394 332 H HN 1.000 nan 8.280 nan 0.000 0.568 333 L N 0.140 121.255 121.223 -0.180 0.000 4.001 333 L HA -0.218 4.014 4.340 -0.179 0.000 0.413 333 L C 0.351 177.168 176.870 -0.088 0.000 1.185 333 L CA 0.509 55.222 54.840 -0.213 0.000 0.963 333 L CB -2.694 39.083 42.059 -0.470 0.000 1.976 333 L HN 0.735 nan 8.230 nan 0.000 0.939 334 T N -2.424 112.093 114.554 -0.062 0.000 0.814 334 T HA -0.131 4.112 4.350 -0.179 0.000 0.743 334 T C 0.673 175.373 174.700 -0.000 0.000 0.988 334 T CA 0.520 62.603 62.100 -0.028 0.000 3.927 334 T CB -0.829 68.024 68.868 -0.024 0.000 2.218 334 T HN 1.069 nan 8.240 nan 0.000 0.384 335 V N 2.094 122.009 119.914 0.002 0.000 2.248 335 V HA 0.424 4.437 4.120 -0.179 0.000 0.230 335 V C 1.614 177.720 176.094 0.020 0.000 1.383 335 V CA 1.552 63.863 62.300 0.018 0.000 1.442 335 V CB -1.268 30.562 31.823 0.011 0.000 1.472 335 V HN 1.803 nan 8.190 nan 0.000 0.490 336 G N 1.322 110.140 108.800 0.030 0.000 4.025 336 G HA2 0.200 4.053 3.960 -0.179 0.000 0.195 336 G HA3 0.200 4.053 3.960 -0.179 0.000 0.195 336 G C 0.733 175.649 174.900 0.028 0.000 1.546 336 G CA 0.557 45.672 45.100 0.025 0.000 1.007 336 G HN 1.800 nan 8.290 nan 0.000 0.388 337 Q N 0.635 120.447 119.800 0.019 0.000 2.639 337 Q HA 0.574 4.806 4.340 -0.179 0.000 0.301 337 Q C 1.462 177.479 176.000 0.030 0.000 1.029 337 Q CA 1.113 56.925 55.803 0.015 0.000 0.936 337 Q CB -0.616 28.121 28.738 -0.002 0.000 1.354 337 Q HN 0.774 nan 8.270 nan 0.000 0.417 338 Q N -0.586 119.252 119.800 0.062 0.000 2.425 338 Q HA 0.207 4.439 4.340 -0.179 0.000 0.204 338 Q C 2.438 178.476 176.000 0.063 0.000 0.933 338 Q CA 0.838 56.702 55.803 0.102 0.000 0.939 338 Q CB -0.037 28.815 28.738 0.191 0.000 1.044 338 Q HN 0.751 nan 8.270 nan 0.000 0.513 339 L N -0.252 120.991 121.223 0.034 0.000 2.131 339 L HA -0.129 4.104 4.340 -0.179 0.000 0.210 339 L C 2.412 179.289 176.870 0.012 0.000 1.092 339 L CA 2.503 57.351 54.840 0.014 0.000 0.759 339 L CB -1.853 40.207 42.059 0.003 0.000 0.903 339 L HN 0.305 nan 8.230 nan 0.000 0.435 340 T N -0.576 113.986 114.554 0.014 0.000 2.951 340 T HA 0.003 4.245 4.350 -0.179 0.000 0.268 340 T C 1.968 176.678 174.700 0.016 0.000 1.073 340 T CA 1.438 63.543 62.100 0.009 0.000 1.134 340 T CB -0.369 68.498 68.868 -0.001 0.000 0.884 340 T HN 0.680 nan 8.240 nan 0.000 0.479 341 I N 0.853 121.441 120.570 0.031 0.000 2.202 341 I HA -0.107 3.955 4.170 -0.179 0.000 0.242 341 I C 2.496 178.635 176.117 0.036 0.000 1.091 341 I CA 0.831 62.157 61.300 0.043 0.000 1.368 341 I CB -0.649 37.401 38.000 0.083 0.000 1.058 341 I HN 0.055 nan 8.210 nan 0.000 0.410 342 V N 0.991 120.922 119.914 0.029 0.000 2.343 342 V HA -0.251 3.762 4.120 -0.179 0.000 0.247 342 V C 2.420 178.518 176.094 0.006 0.000 1.051 342 V CA 1.688 63.995 62.300 0.012 0.000 1.036 342 V CB -0.452 31.368 31.823 -0.006 0.000 0.654 342 V HN 0.355 nan 8.190 nan 0.000 0.451 343 L N 0.952 122.178 121.223 0.005 0.000 1.994 343 L HA -0.155 4.078 4.340 -0.179 0.000 0.208 343 L C 2.701 179.579 176.870 0.012 0.000 1.071 343 L CA 2.918 57.761 54.840 0.004 0.000 0.745 343 L CB -1.095 40.965 42.059 0.002 0.000 0.892 343 L HN 0.569 nan 8.230 nan 0.000 0.431 344 T N -3.207 111.357 114.554 0.018 0.000 3.035 344 T HA 0.047 4.290 4.350 -0.179 0.000 0.268 344 T C 1.815 176.532 174.700 0.028 0.000 1.109 344 T CA 0.703 62.818 62.100 0.024 0.000 1.119 344 T CB -0.664 68.221 68.868 0.028 0.000 0.900 344 T HN 0.373 nan 8.240 nan 0.000 0.503 345 A N 1.808 124.645 122.820 0.029 0.000 1.930 345 A HA 0.131 4.344 4.320 -0.179 0.000 0.217 345 A C 2.634 180.238 177.584 0.034 0.000 1.175 345 A CA 1.606 53.664 52.037 0.035 0.000 0.627 345 A CB -0.893 18.129 19.000 0.038 0.000 0.815 345 A HN 0.727 nan 8.150 nan 0.000 0.443 346 V N -2.304 117.626 119.914 0.026 0.000 2.535 346 V HA -0.051 3.961 4.120 -0.179 0.000 0.246 346 V C 2.236 178.349 176.094 0.030 0.000 1.045 346 V CA 1.367 63.683 62.300 0.028 0.000 1.058 346 V CB -1.016 30.819 31.823 0.020 0.000 0.689 346 V HN 0.406 nan 8.190 nan 0.000 0.461 347 L N 1.035 122.275 121.223 0.027 0.000 2.079 347 L HA -0.101 4.131 4.340 -0.179 0.000 0.210 347 L C 3.099 179.986 176.870 0.029 0.000 1.081 347 L CA 1.663 56.520 54.840 0.027 0.000 0.752 347 L CB -0.989 41.084 42.059 0.023 0.000 0.896 347 L HN 0.442 nan 8.230 nan 0.000 0.433 348 A N -0.678 122.160 122.820 0.030 0.000 1.917 348 A HA -0.257 3.955 4.320 -0.179 0.000 0.219 348 A C 2.542 180.144 177.584 0.031 0.000 1.182 348 A CA 2.397 54.453 52.037 0.031 0.000 0.633 348 A CB -0.639 18.383 19.000 0.036 0.000 0.819 348 A HN 0.371 nan 8.150 nan 0.000 0.448 349 S N -0.920 114.799 115.700 0.032 0.000 2.371 349 S HA 0.012 4.375 4.470 -0.179 0.000 0.224 349 S C 1.825 176.444 174.600 0.032 0.000 1.029 349 S CA 1.069 59.286 58.200 0.029 0.000 0.978 349 S CB -0.349 62.866 63.200 0.025 0.000 0.833 349 S HN 0.531 nan 8.310 nan 0.000 0.466 350 I N 0.859 121.452 120.570 0.038 0.000 2.233 350 I HA -0.086 3.977 4.170 -0.179 0.000 0.243 350 I C 2.323 178.461 176.117 0.034 0.000 1.093 350 I CA 1.088 62.413 61.300 0.043 0.000 1.380 350 I CB -0.469 37.559 38.000 0.048 0.000 1.067 350 I HN 0.349 nan 8.210 nan 0.000 0.413 351 G N -1.166 107.651 108.800 0.029 0.000 2.882 351 G HA2 -0.117 3.736 3.960 -0.179 0.000 0.206 351 G HA3 -0.117 3.736 3.960 -0.179 0.000 0.206 351 G C 1.302 176.216 174.900 0.023 0.000 1.155 351 G CA 0.814 45.928 45.100 0.024 0.000 0.800 351 G HN 0.260 nan 8.290 nan 0.000 0.524 352 T N -1.018 113.551 114.554 0.025 0.000 2.954 352 T HA 0.486 4.729 4.350 -0.179 0.000 0.252 352 T C 2.244 176.959 174.700 0.024 0.000 0.983 352 T CA 1.276 63.390 62.100 0.023 0.000 0.941 352 T CB -0.102 68.780 68.868 0.023 0.000 1.141 352 T HN 0.522 nan 8.240 nan 0.000 0.500 353 A N 1.155 123.992 122.820 0.027 0.000 3.608 353 A HA -0.293 3.919 4.320 -0.179 0.000 0.407 353 A C 2.161 179.761 177.584 0.027 0.000 1.377 353 A CA 2.746 54.801 52.037 0.030 0.000 1.323 353 A CB -1.826 17.196 19.000 0.037 0.000 1.016 353 A HN 0.697 nan 8.150 nan 0.000 0.477 354 G N -0.731 108.087 108.800 0.029 0.000 2.459 354 G HA2 0.302 4.154 3.960 -0.179 0.000 0.217 354 G HA3 0.302 4.154 3.960 -0.179 0.000 0.217 354 G C 1.412 176.324 174.900 0.019 0.000 1.183 354 G CA 2.274 47.390 45.100 0.026 0.000 0.776 354 G HN 2.258 nan 8.290 nan 0.000 0.552 355 V N 3.096 123.021 119.914 0.018 0.000 2.915 355 V HA 0.116 4.129 4.120 -0.179 0.000 0.289 355 V C -0.854 175.248 176.094 0.013 0.000 1.067 355 V CA -0.153 62.156 62.300 0.014 0.000 1.238 355 V CB -0.837 30.995 31.823 0.015 0.000 0.809 355 V HN 0.304 nan 8.190 nan 0.000 0.449 356 P HA 0.324 nan 4.420 nan 0.000 0.271 356 P C 1.000 178.306 177.300 0.010 0.000 1.233 356 P CA 1.171 64.276 63.100 0.008 0.000 0.789 356 P CB 0.997 32.700 31.700 0.005 0.000 0.951 357 G N 0.728 109.534 108.800 0.011 0.000 2.196 357 G HA2 -0.367 3.485 3.960 -0.179 0.000 0.268 357 G HA3 -0.367 3.485 3.960 -0.179 0.000 0.268 357 G C 1.196 176.110 174.900 0.023 0.000 0.975 357 G CA 0.788 45.897 45.100 0.016 0.000 0.648 357 G HN 0.748 nan 8.290 nan 0.000 0.538 358 A N 0.049 122.882 122.820 0.021 0.000 2.054 358 A HA 0.113 4.325 4.320 -0.179 0.000 0.223 358 A C 2.884 180.490 177.584 0.037 0.000 1.169 358 A CA 2.392 54.444 52.037 0.025 0.000 0.655 358 A CB -1.047 17.966 19.000 0.022 0.000 0.812 358 A HN 1.771 nan 8.150 nan 0.000 0.462 359 G N -0.492 108.333 108.800 0.040 0.000 2.491 359 G HA2 -0.105 3.748 3.960 -0.179 0.000 0.218 359 G HA3 -0.105 3.748 3.960 -0.179 0.000 0.218 359 G C 1.774 176.730 174.900 0.093 0.000 1.180 359 G CA 1.691 46.826 45.100 0.059 0.000 0.774 359 G HN 0.941 nan 8.290 nan 0.000 0.562 360 A N 0.730 123.603 122.820 0.089 0.000 1.929 360 A HA 0.112 4.325 4.320 -0.179 0.000 0.216 360 A C 2.388 180.003 177.584 0.051 0.000 1.176 360 A CA 1.392 53.492 52.037 0.106 0.000 0.628 360 A CB -0.356 18.712 19.000 0.114 0.000 0.816 360 A HN 0.794 nan 8.150 nan 0.000 0.444 361 I N -3.038 117.554 120.570 0.036 0.000 3.111 361 I HA -0.063 4.000 4.170 -0.179 0.000 0.272 361 I C 1.932 178.057 176.117 0.015 0.000 1.268 361 I CA 1.110 62.418 61.300 0.013 0.000 1.467 361 I CB -0.073 37.933 38.000 0.009 0.000 1.087 361 I HN 0.267 nan 8.210 nan 0.000 0.467 362 M N 0.028 119.648 119.600 0.034 0.000 2.216 362 M HA -0.023 4.350 4.480 -0.179 0.000 0.264 362 M C 2.058 178.381 176.300 0.038 0.000 1.080 362 M CA 1.158 56.482 55.300 0.039 0.000 1.153 362 M CB -0.249 32.384 32.600 0.055 0.000 1.356 362 M HN 0.353 nan 8.290 nan 0.000 0.432 363 L N 1.017 122.271 121.223 0.052 0.000 2.079 363 L HA -0.080 4.153 4.340 -0.179 0.000 0.210 363 L C 2.440 179.284 176.870 -0.042 0.000 1.081 363 L CA 2.067 56.923 54.840 0.027 0.000 0.752 363 L CB -1.020 41.086 42.059 0.079 0.000 0.896 363 L HN 0.227 nan 8.230 nan 0.000 0.433 364 A N 0.428 123.214 122.820 -0.057 0.000 1.873 364 A HA -0.294 3.919 4.320 -0.179 0.000 0.218 364 A C 2.268 179.841 177.584 -0.018 0.000 1.193 364 A CA 2.873 54.864 52.037 -0.077 0.000 0.629 364 A CB -0.738 18.223 19.000 -0.065 0.000 0.826 364 A HN 0.682 nan 8.150 nan 0.000 0.447 365 M N -1.813 117.790 119.600 0.005 0.000 2.506 365 M HA 0.168 4.540 4.480 -0.179 0.000 0.260 365 M C 1.778 178.118 176.300 0.067 0.000 1.104 365 M CA 1.274 56.602 55.300 0.047 0.000 1.112 365 M CB -0.293 32.323 32.600 0.027 0.000 1.401 365 M HN 0.068 nan 8.290 nan 0.000 0.473 366 V N 1.404 121.341 119.914 0.038 0.000 2.548 366 V HA -0.105 3.908 4.120 -0.179 0.000 0.249 366 V C 2.175 178.282 176.094 0.023 0.000 1.055 366 V CA 1.409 63.728 62.300 0.033 0.000 1.065 366 V CB -0.127 31.714 31.823 0.031 0.000 0.681 366 V HN 0.549 nan 8.190 nan 0.000 0.462 367 L N -0.774 120.457 121.223 0.012 0.000 2.131 367 L HA -0.093 4.140 4.340 -0.179 0.000 0.206 367 L C 2.463 179.340 176.870 0.010 0.000 1.087 367 L CA 1.698 56.534 54.840 -0.006 0.000 0.767 367 L CB -0.546 41.486 42.059 -0.045 0.000 0.917 367 L HN 0.473 nan 8.230 nan 0.000 0.441 368 H N -0.375 118.667 119.070 -0.047 0.000 2.457 368 H HA -0.095 4.353 4.556 -0.180 0.000 0.294 368 H C 2.298 177.610 175.328 -0.027 0.000 1.064 368 H CA 1.381 57.406 56.048 -0.038 0.000 1.330 368 H CB 0.199 29.941 29.762 -0.035 0.000 1.395 368 H HN 0.391 nan 8.280 nan 0.000 0.541 369 S N 0.846 116.541 115.700 -0.007 0.000 2.348 369 S HA -0.133 4.230 4.470 -0.179 0.000 0.221 369 S C 2.637 177.186 174.600 -0.084 0.000 1.033 369 S CA 2.291 60.466 58.200 -0.041 0.000 1.010 369 S CB -1.401 61.805 63.200 0.010 0.000 0.891 369 S HN 0.441 nan 8.310 nan 0.000 0.442 370 V N -0.280 119.596 119.914 -0.064 0.000 2.255 370 V HA 0.294 4.306 4.120 -0.179 0.000 0.247 370 V C 2.046 178.074 176.094 -0.110 0.000 1.051 370 V CA 2.455 64.710 62.300 -0.074 0.000 1.018 370 V CB -1.225 30.560 31.823 -0.064 0.000 0.641 370 V HN 1.571 nan 8.190 nan 0.000 0.445 371 G N -1.313 107.403 108.800 -0.140 0.000 2.165 371 G HA2 0.115 3.967 3.960 -0.179 0.000 0.144 371 G HA3 0.115 3.967 3.960 -0.179 0.000 0.144 371 G C -0.261 174.570 174.900 -0.115 0.000 1.049 371 G CA -0.010 44.991 45.100 -0.165 0.000 0.741 371 G HN 0.858 nan 8.290 nan 0.000 0.493 372 L N 0.796 121.968 121.223 -0.085 0.000 2.495 372 L HA 0.376 4.609 4.340 -0.179 0.000 0.248 372 L C -2.517 174.345 176.870 -0.013 0.000 1.229 372 L CA -1.979 52.832 54.840 -0.048 0.000 0.942 372 L CB 1.566 43.595 42.059 -0.051 0.000 1.242 372 L HN -0.136 nan 8.230 nan 0.000 0.484 373 P HA 0.107 nan 4.420 nan 0.000 0.271 373 P C 1.024 178.332 177.300 0.014 0.000 1.216 373 P CA -0.213 62.934 63.100 0.080 0.000 0.776 373 P CB 0.934 32.727 31.700 0.154 0.000 0.881 374 L N 1.464 122.671 121.223 -0.027 0.000 2.551 374 L HA -0.160 4.072 4.340 -0.179 0.000 0.230 374 L C 1.940 178.810 176.870 0.000 0.000 1.163 374 L CA 1.644 56.455 54.840 -0.048 0.000 0.826 374 L CB -1.109 40.878 42.059 -0.121 0.000 0.943 374 L HN 0.532 nan 8.230 nan 0.000 0.452 375 T N -4.778 109.781 114.554 0.009 0.000 3.014 375 T HA -0.011 4.231 4.350 -0.179 0.000 0.263 375 T C 0.854 175.565 174.700 0.018 0.000 1.078 375 T CA 0.586 62.694 62.100 0.015 0.000 1.135 375 T CB -0.773 68.103 68.868 0.013 0.000 0.895 375 T HN 0.382 nan 8.240 nan 0.000 0.480 376 D N 3.215 123.626 120.400 0.018 0.000 2.358 376 D HA 0.357 4.890 4.640 -0.179 0.000 0.258 376 D C -1.697 174.616 176.300 0.020 0.000 1.223 376 D CA -1.843 52.166 54.000 0.014 0.000 0.886 376 D CB 0.117 40.920 40.800 0.006 0.000 1.120 376 D HN 0.235 nan 8.370 nan 0.000 0.482 377 P HA -0.044 nan 4.420 nan 0.000 0.239 377 P C 0.751 178.068 177.300 0.027 0.000 1.184 377 P CA 0.593 63.710 63.100 0.027 0.000 0.760 377 P CB 0.206 31.918 31.700 0.021 0.000 0.884 378 N N -1.003 117.708 118.700 0.018 0.000 2.197 378 N HA -0.068 4.565 4.740 -0.179 0.000 0.184 378 N C 1.497 177.022 175.510 0.025 0.000 1.030 378 N CA 0.578 53.636 53.050 0.013 0.000 0.851 378 N CB -0.230 38.254 38.487 -0.005 0.000 1.003 378 N HN -0.153 nan 8.380 nan 0.000 0.430 379 V N 1.475 121.404 119.914 0.025 0.000 2.332 379 V HA -0.235 3.778 4.120 -0.179 0.000 0.248 379 V C 2.217 178.372 176.094 0.102 0.000 1.055 379 V CA 2.049 64.375 62.300 0.043 0.000 1.038 379 V CB -0.739 31.096 31.823 0.019 0.000 0.651 379 V HN 0.369 nan 8.190 nan 0.000 0.450 380 A N -0.447 122.431 122.820 0.095 0.000 1.970 380 A HA 0.114 4.326 4.320 -0.179 0.000 0.216 380 A C 2.301 179.977 177.584 0.153 0.000 1.170 380 A CA 1.471 53.596 52.037 0.146 0.000 0.645 380 A CB -0.497 18.564 19.000 0.102 0.000 0.816 380 A HN 0.554 nan 8.150 nan 0.000 0.447 381 A N -0.540 122.341 122.820 0.103 0.000 2.119 381 A HA 0.370 4.582 4.320 -0.179 0.000 0.217 381 A C 2.233 179.883 177.584 0.111 0.000 1.153 381 A CA 1.490 53.579 52.037 0.086 0.000 0.692 381 A CB -0.490 18.543 19.000 0.055 0.000 0.799 381 A HN 0.807 nan 8.150 nan 0.000 0.458 382 A N -1.528 121.378 122.820 0.144 0.000 1.911 382 A HA 0.088 4.301 4.320 -0.179 0.000 0.212 382 A C 2.018 179.792 177.584 0.317 0.000 1.189 382 A CA 1.183 53.349 52.037 0.215 0.000 0.639 382 A CB -0.724 18.358 19.000 0.136 0.000 0.839 382 A HN 0.611 nan 8.150 nan 0.000 0.449 383 Y N 1.026 121.417 120.300 0.152 0.000 2.333 383 Y HA -0.024 4.439 4.550 -0.145 0.000 0.290 383 Y C 2.302 178.255 175.900 0.090 0.000 1.144 383 Y CA 0.895 59.070 58.100 0.125 0.000 1.228 383 Y CB -0.313 38.199 38.460 0.086 0.000 0.985 383 Y HN 0.276 nan 8.280 nan 0.000 0.542 384 A N -0.226 122.576 122.820 -0.030 0.000 2.167 384 A HA -0.045 4.168 4.320 -0.179 0.000 0.214 384 A C 2.303 179.833 177.584 -0.091 0.000 1.151 384 A CA 1.007 52.967 52.037 -0.129 0.000 0.735 384 A CB -0.711 18.281 19.000 -0.014 0.000 0.802 384 A HN 0.616 nan 8.150 nan 0.000 0.467 385 M N -0.472 119.128 119.600 0.000 0.000 2.193 385 M HA -0.032 4.341 4.480 -0.179 0.000 0.265 385 M C 1.607 177.868 176.300 -0.064 0.000 1.071 385 M CA 1.355 56.676 55.300 0.035 0.000 1.140 385 M CB -0.146 32.552 32.600 0.163 0.000 1.369 385 M HN 0.315 nan 8.290 nan 0.000 0.423 386 I N 0.973 121.455 120.570 -0.147 0.000 2.163 386 I HA -0.308 3.755 4.170 -0.179 0.000 0.243 386 I C 2.226 178.226 176.117 -0.194 0.000 1.085 386 I CA 1.515 62.673 61.300 -0.237 0.000 1.347 386 I CB -1.287 36.585 38.000 -0.212 0.000 1.044 386 I HN 0.406 nan 8.210 nan 0.000 0.408 387 L N 0.453 121.513 121.223 -0.271 0.000 2.349 387 L HA -0.147 4.085 4.340 -0.179 0.000 0.220 387 L C 2.503 179.252 176.870 -0.202 0.000 1.130 387 L CA 1.091 55.781 54.840 -0.250 0.000 0.791 387 L CB -1.188 40.677 42.059 -0.324 0.000 0.918 387 L HN 0.316 nan 8.230 nan 0.000 0.444 388 G N 1.491 110.172 108.800 -0.200 0.000 2.408 388 G HA2 -0.177 3.676 3.960 -0.179 0.000 0.217 388 G HA3 -0.177 3.676 3.960 -0.179 0.000 0.217 388 G C 1.210 175.959 174.900 -0.252 0.000 1.150 388 G CA 0.605 45.529 45.100 -0.294 0.000 0.776 388 G HN 0.592 nan 8.290 nan 0.000 0.542 389 I N -2.325 118.159 120.570 -0.144 0.000 3.531 389 I HA 0.498 4.561 4.170 -0.179 0.000 0.341 389 I C 0.718 176.756 176.117 -0.132 0.000 1.550 389 I CA -0.256 60.973 61.300 -0.120 0.000 1.087 389 I CB 1.053 39.006 38.000 -0.079 0.000 1.408 389 I HN -0.125 nan 8.210 nan 0.000 0.484 390 D N 2.062 122.377 120.400 -0.142 0.000 2.183 390 D HA 0.016 4.548 4.640 -0.179 0.000 0.205 390 D C 2.339 178.542 176.300 -0.162 0.000 0.962 390 D CA 1.384 55.297 54.000 -0.146 0.000 0.849 390 D CB 0.442 41.160 40.800 -0.137 0.000 0.978 390 D HN 0.454 nan 8.370 nan 0.000 0.488 391 A N 0.454 123.189 122.820 -0.141 0.000 2.015 391 A HA -0.089 4.123 4.320 -0.179 0.000 0.219 391 A C 2.078 179.577 177.584 -0.142 0.000 1.163 391 A CA 0.699 52.658 52.037 -0.129 0.000 0.646 391 A CB -0.532 18.409 19.000 -0.098 0.000 0.806 391 A HN 0.296 nan 8.150 nan 0.000 0.448 392 I N -0.220 120.266 120.570 -0.140 0.000 2.252 392 I HA -0.185 3.878 4.170 -0.179 0.000 0.245 392 I C 2.268 178.307 176.117 -0.129 0.000 1.102 392 I CA 1.244 62.462 61.300 -0.137 0.000 1.385 392 I CB -1.102 36.807 38.000 -0.151 0.000 1.064 392 I HN 0.306 nan 8.210 nan 0.000 0.414 393 L N 0.013 121.153 121.223 -0.139 0.000 2.313 393 L HA -0.154 4.079 4.340 -0.179 0.000 0.214 393 L C 2.132 178.954 176.870 -0.080 0.000 1.119 393 L CA 0.730 55.525 54.840 -0.075 0.000 0.809 393 L CB -0.490 41.511 42.059 -0.096 0.000 0.933 393 L HN 0.171 nan 8.230 nan 0.000 0.449 394 D N 0.330 120.629 120.400 -0.168 0.000 2.117 394 D HA -0.166 4.367 4.640 -0.179 0.000 0.198 394 D C 2.329 178.527 176.300 -0.171 0.000 0.982 394 D CA 1.305 55.192 54.000 -0.187 0.000 0.828 394 D CB 0.095 40.789 40.800 -0.177 0.000 0.967 394 D HN 0.135 nan 8.370 nan 0.000 0.464 395 M N -0.254 119.189 119.600 -0.263 0.000 2.065 395 M HA -0.090 4.282 4.480 -0.179 0.000 0.259 395 M C 2.410 178.465 176.300 -0.409 0.000 1.071 395 M CA 1.933 56.873 55.300 -0.601 0.000 1.109 395 M CB -0.880 31.037 32.600 -1.138 0.000 1.313 395 M HN 0.100 nan 8.290 nan 0.000 0.408 396 G N 0.927 109.701 108.800 -0.044 0.000 2.450 396 G HA2 -0.243 3.610 3.960 -0.179 0.000 0.220 396 G HA3 -0.243 3.610 3.960 -0.179 0.000 0.220 396 G C 1.556 176.492 174.900 0.060 0.000 1.130 396 G CA 1.218 46.362 45.100 0.074 0.000 0.760 396 G HN 0.601 nan 8.290 nan 0.000 0.557 397 R N -0.561 119.973 120.500 0.056 0.000 2.140 397 R HA 0.101 4.334 4.340 -0.179 0.000 0.213 397 R C 2.094 178.418 176.300 0.040 0.000 1.059 397 R CA 1.519 57.648 56.100 0.047 0.000 1.000 397 R CB -0.851 29.459 30.300 0.017 0.000 0.910 397 R HN 0.142 nan 8.270 nan 0.000 0.455 398 T N 1.394 115.953 114.554 0.009 0.000 2.904 398 T HA -0.058 4.185 4.350 -0.179 0.000 0.267 398 T C 1.747 176.490 174.700 0.072 0.000 1.059 398 T CA 1.226 63.338 62.100 0.020 0.000 1.137 398 T CB -0.095 68.764 68.868 -0.015 0.000 0.879 398 T HN 0.196 nan 8.240 nan 0.000 0.467 399 M N 1.270 120.945 119.600 0.124 0.000 2.229 399 M HA -0.043 4.330 4.480 -0.179 0.000 0.264 399 M C 1.721 178.108 176.300 0.144 0.000 1.063 399 M CA 1.318 56.723 55.300 0.175 0.000 1.114 399 M CB -0.172 32.620 32.600 0.320 0.000 1.387 399 M HN 0.106 nan 8.290 nan 0.000 0.420 400 V N 0.912 120.913 119.914 0.144 0.000 3.129 400 V HA -0.136 3.876 4.120 -0.179 0.000 0.259 400 V C 1.643 177.852 176.094 0.191 0.000 1.116 400 V CA 1.012 63.432 62.300 0.199 0.000 1.127 400 V CB -0.971 30.962 31.823 0.184 0.000 0.742 400 V HN 0.483 nan 8.190 nan 0.000 0.474 401 N N 0.818 119.589 118.700 0.119 0.000 2.300 401 N HA -0.089 4.544 4.740 -0.179 0.000 0.179 401 N C 1.848 177.396 175.510 0.064 0.000 1.016 401 N CA 1.617 54.718 53.050 0.084 0.000 0.876 401 N CB 0.003 38.516 38.487 0.044 0.000 0.979 401 N HN 0.560 nan 8.380 nan 0.000 0.432 402 V N -2.368 117.585 119.914 0.065 0.000 2.878 402 V HA 0.063 4.076 4.120 -0.179 0.000 0.250 402 V C 1.950 178.069 176.094 0.042 0.000 1.075 402 V CA 1.144 63.475 62.300 0.050 0.000 1.096 402 V CB -0.966 30.887 31.823 0.049 0.000 0.724 402 V HN 0.022 nan 8.190 nan 0.000 0.467 403 T N 1.908 116.478 114.554 0.026 0.000 2.684 403 T HA -0.077 4.166 4.350 -0.179 0.000 0.267 403 T C 1.953 176.488 174.700 -0.275 0.000 1.036 403 T CA 2.126 64.174 62.100 -0.087 0.000 1.148 403 T CB -0.989 67.809 68.868 -0.116 0.000 0.863 403 T HN 0.694 nan 8.240 nan 0.000 0.436 404 G N 1.701 110.376 108.800 -0.209 0.000 2.450 404 G HA2 -0.235 3.617 3.960 -0.179 0.000 0.220 404 G HA3 -0.235 3.617 3.960 -0.179 0.000 0.220 404 G C 1.213 176.263 174.900 0.250 0.000 1.130 404 G CA 1.047 46.196 45.100 0.083 0.000 0.760 404 G HN 0.418 nan 8.290 nan 0.000 0.557 405 D N 0.455 120.950 120.400 0.158 0.000 2.117 405 D HA -0.040 4.493 4.640 -0.179 0.000 0.198 405 D C 2.626 179.009 176.300 0.138 0.000 0.982 405 D CA 0.359 54.474 54.000 0.190 0.000 0.828 405 D CB -0.284 40.575 40.800 0.100 0.000 0.967 405 D HN 0.290 nan 8.370 nan 0.000 0.464 406 L N 0.542 121.833 121.223 0.115 0.000 2.044 406 L HA -0.112 4.121 4.340 -0.179 0.000 0.205 406 L C 2.428 179.424 176.870 0.210 0.000 1.075 406 L CA 1.182 56.120 54.840 0.164 0.000 0.747 406 L CB -0.732 41.430 42.059 0.172 0.000 0.903 406 L HN 0.043 nan 8.230 nan 0.000 0.435 407 T N -0.219 114.398 114.554 0.105 0.000 2.759 407 T HA -0.141 4.102 4.350 -0.179 0.000 0.269 407 T C 1.751 176.264 174.700 -0.313 0.000 1.042 407 T CA 1.405 63.391 62.100 -0.190 0.000 1.140 407 T CB -0.436 68.240 68.868 -0.320 0.000 0.864 407 T HN 0.566 nan 8.240 nan 0.000 0.455 408 G N 0.890 109.422 108.800 -0.447 0.000 2.404 408 G HA2 -0.174 3.678 3.960 -0.179 0.000 0.215 408 G HA3 -0.174 3.678 3.960 -0.179 0.000 0.215 408 G C 1.734 176.307 174.900 -0.545 0.000 1.174 408 G CA 1.291 45.728 45.100 -1.105 0.000 0.780 408 G HN 0.435 nan 8.290 nan 0.000 0.537 409 T N 1.807 116.223 114.554 -0.230 0.000 2.720 409 T HA -0.034 4.209 4.350 -0.179 0.000 0.268 409 T C 2.795 177.453 174.700 -0.070 0.000 1.037 409 T CA 1.574 63.619 62.100 -0.092 0.000 1.144 409 T CB -0.372 68.519 68.868 0.037 0.000 0.864 409 T HN 0.360 nan 8.240 nan 0.000 0.444 410 A N 0.813 123.607 122.820 -0.043 0.000 1.933 410 A HA -0.018 4.194 4.320 -0.179 0.000 0.218 410 A C 2.172 179.692 177.584 -0.105 0.000 1.175 410 A CA 1.147 53.175 52.037 -0.016 0.000 0.628 410 A CB -0.632 18.428 19.000 0.100 0.000 0.814 410 A HN 0.388 nan 8.150 nan 0.000 0.444 411 I N -0.522 119.901 120.570 -0.246 0.000 2.252 411 I HA -0.147 3.916 4.170 -0.179 0.000 0.245 411 I C 2.363 178.342 176.117 -0.231 0.000 1.102 411 I CA 0.946 62.043 61.300 -0.338 0.000 1.385 411 I CB -0.345 37.274 38.000 -0.635 0.000 1.064 411 I HN 0.122 nan 8.210 nan 0.000 0.414 412 V N 0.564 120.345 119.914 -0.221 0.000 2.515 412 V HA -0.225 3.788 4.120 -0.179 0.000 0.250 412 V C 2.611 178.683 176.094 -0.036 0.000 1.058 412 V CA 1.518 63.747 62.300 -0.119 0.000 1.064 412 V CB -1.243 30.504 31.823 -0.126 0.000 0.675 412 V HN 0.464 nan 8.190 nan 0.000 0.461 413 A N -0.160 122.644 122.820 -0.026 0.000 1.877 413 A HA -0.184 4.029 4.320 -0.179 0.000 0.216 413 A C 2.305 179.902 177.584 0.023 0.000 1.186 413 A CA 1.556 53.600 52.037 0.012 0.000 0.620 413 A CB -0.407 18.608 19.000 0.024 0.000 0.822 413 A HN 0.372 nan 8.150 nan 0.000 0.443 414 K N -0.230 120.188 120.400 0.030 0.000 2.097 414 K HA -0.085 4.128 4.320 -0.179 0.000 0.206 414 K C 2.086 178.738 176.600 0.086 0.000 1.049 414 K CA 1.822 58.148 56.287 0.065 0.000 0.933 414 K CB -0.943 31.622 32.500 0.109 0.000 0.717 414 K HN 0.634 nan 8.250 nan 0.000 0.442 415 T N 0.640 115.252 114.554 0.097 0.000 2.643 415 T HA -0.093 4.150 4.350 -0.179 0.000 0.256 415 T C 1.220 175.954 174.700 0.057 0.000 1.061 415 T CA 0.744 62.907 62.100 0.104 0.000 1.163 415 T CB -0.166 68.772 68.868 0.118 0.000 0.865 415 T HN 0.163 nan 8.240 nan 0.000 0.407 416 E N 0.000 120.223 120.200 0.038 0.000 2.725 416 E HA 0.000 4.243 4.350 -0.179 0.000 0.291 416 E CA 0.000 56.417 56.400 0.028 0.000 0.976 416 E CB 0.000 29.713 29.700 0.022 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440