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 3lns_1_D DATA FIRST_RESID 2 DATA SEQUENCE NYLSPAKIDS LFSAQKAYFA TRATADVGFR KQSLERLKEA VINNKEALYS DATA SEQUENCE ALAEDLGKPK DVVDLAEIGA VLHEIDFALA HLDEWVAPVS VPSPDIIAPS DATA SEQUENCE ECYVVQEPYG VTYIIGPFNY PVNLTLTPLI GAIIGGNTCI IKPSETTPET DATA SEQUENCE SAVIEKIIAE AFAPEYVAVI QGGRDENSHL LSLPFDFIFF TGSPNVGKVV DATA SEQUENCE MQAAAKHLTP VVLELGGKCP LIVLPDADLD QTVNQLMFGK FINSGQTXIA DATA SEQUENCE PDYLYVHYSV KDALLERLVE RVKTELPEIN STGKLVTERQ VQRLVSLLEA DATA SEQUENCE TQGQVLVGSQ ADVSKRALSA TVVDGVEWND PLMSEELFGP ILPVLEFDSV DATA SEQUENCE RTAIDQVNKH HPKPLAVYVF GKDMDVAKGI INQIQSGDAQ VNGVMLHAFS DATA SEQUENCE PYLPFGGIGA SGMGEYHGHF SYLTFTHKKS VRIVP 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.545 175.510 0.059 0.000 1.280 2 N CA 0.000 53.017 53.050 -0.056 0.000 0.885 2 N CB 0.000 38.389 38.487 -0.164 0.000 1.341 3 Y N 1.293 121.612 120.300 0.032 0.000 2.578 3 Y HA 0.117 4.667 4.550 0.000 0.000 0.339 3 Y C 0.680 176.600 175.900 0.033 0.000 1.231 3 Y CA -0.818 57.305 58.100 0.039 0.000 1.461 3 Y CB 0.354 38.838 38.460 0.041 0.000 1.323 3 Y HN 0.266 nan 8.280 nan 0.000 0.590 4 L N 2.772 124.123 121.223 0.213 0.000 2.514 4 L HA -0.072 4.269 4.340 0.000 0.000 0.280 4 L C 0.545 177.468 176.870 0.088 0.000 1.223 4 L CA 0.188 55.101 54.840 0.121 0.000 0.864 4 L CB 0.248 42.367 42.059 0.100 0.000 1.118 4 L HN 0.657 nan 8.230 nan 0.000 0.494 5 S N 3.089 118.818 115.700 0.048 0.000 2.603 5 S HA 0.338 4.808 4.470 0.000 0.000 0.268 5 S C -1.790 172.780 174.600 -0.051 0.000 1.317 5 S CA -1.058 57.143 58.200 0.001 0.000 1.012 5 S CB 0.542 63.742 63.200 -0.000 0.000 0.926 5 S HN 0.509 nan 8.310 nan 0.000 0.539 6 P HA -0.183 nan 4.420 nan 0.000 0.216 6 P C 1.658 178.883 177.300 -0.123 0.000 1.157 6 P CA 2.198 65.087 63.100 -0.351 0.000 0.880 6 P CB -0.291 31.133 31.700 -0.459 0.000 0.791 7 A N -0.303 122.481 122.820 -0.059 0.000 1.883 7 A HA -0.240 4.080 4.320 0.000 0.000 0.217 7 A C 2.179 179.783 177.584 0.032 0.000 1.186 7 A CA 1.814 53.851 52.037 0.000 0.000 0.624 7 A CB -1.068 17.933 19.000 0.001 0.000 0.822 7 A HN 0.050 nan 8.150 nan 0.000 0.444 8 K N -0.347 120.072 120.400 0.032 0.000 2.057 8 K HA -0.075 4.246 4.320 0.000 0.000 0.207 8 K C 1.885 178.532 176.600 0.078 0.000 1.049 8 K CA 1.291 57.610 56.287 0.053 0.000 0.931 8 K CB -0.593 31.939 32.500 0.053 0.000 0.714 8 K HN 0.622 nan 8.250 nan 0.000 0.440 9 I N 1.555 122.176 120.570 0.085 0.000 2.076 9 I HA -0.332 3.839 4.170 0.000 0.000 0.237 9 I C 1.875 178.080 176.117 0.146 0.000 1.059 9 I CA 1.499 62.877 61.300 0.130 0.000 1.317 9 I CB -0.424 37.683 38.000 0.179 0.000 1.037 9 I HN 0.108 nan 8.210 nan 0.000 0.398 10 D N 0.336 120.830 120.400 0.156 0.000 2.157 10 D HA -0.248 4.392 4.640 0.000 0.000 0.191 10 D C 2.277 178.656 176.300 0.132 0.000 1.004 10 D CA 1.964 56.034 54.000 0.117 0.000 0.854 10 D CB -0.455 40.404 40.800 0.099 0.000 0.936 10 D HN 0.282 nan 8.370 nan 0.000 0.446 11 S N -0.487 115.275 115.700 0.104 0.000 2.382 11 S HA -0.138 4.332 4.470 0.000 0.000 0.228 11 S C 1.852 176.513 174.600 0.102 0.000 1.027 11 S CA 0.517 58.771 58.200 0.090 0.000 0.991 11 S CB -0.243 62.998 63.200 0.068 0.000 0.823 11 S HN 0.118 nan 8.310 nan 0.000 0.469 12 L N 0.643 121.935 121.223 0.116 0.000 2.056 12 L HA 0.154 4.494 4.340 0.000 0.000 0.207 12 L C 1.992 178.936 176.870 0.124 0.000 1.078 12 L CA 1.707 56.616 54.840 0.115 0.000 0.749 12 L CB -1.362 40.772 42.059 0.125 0.000 0.901 12 L HN 0.462 nan 8.230 nan 0.000 0.433 13 F N -0.169 119.765 119.950 -0.026 0.000 2.065 13 F HA -0.291 4.236 4.527 0.001 0.000 0.298 13 F C 2.632 178.394 175.800 -0.063 0.000 1.112 13 F CA 2.032 59.970 58.000 -0.104 0.000 1.212 13 F CB -0.563 38.306 39.000 -0.219 0.000 0.975 13 F HN 0.071 nan 8.300 nan 0.000 0.476 14 S N 0.353 116.122 115.700 0.116 0.000 2.372 14 S HA -0.301 4.169 4.470 0.000 0.000 0.227 14 S C 2.280 176.878 174.600 -0.003 0.000 1.044 14 S CA 1.392 59.616 58.200 0.040 0.000 1.050 14 S CB -1.083 62.167 63.200 0.082 0.000 0.901 14 S HN 0.562 nan 8.310 nan 0.000 0.447 15 A N 1.116 123.954 122.820 0.029 0.000 1.940 15 A HA -0.201 4.119 4.320 0.000 0.000 0.219 15 A C 2.137 179.763 177.584 0.070 0.000 1.176 15 A CA 1.498 53.566 52.037 0.051 0.000 0.631 15 A CB -0.557 18.474 19.000 0.051 0.000 0.814 15 A HN 0.568 nan 8.150 nan 0.000 0.446 16 Q N -0.619 119.182 119.800 0.002 0.000 2.083 16 Q HA -0.137 4.203 4.340 0.000 0.000 0.198 16 Q C 1.977 177.998 176.000 0.034 0.000 0.969 16 Q CA 1.137 56.962 55.803 0.036 0.000 0.838 16 Q CB -0.207 28.493 28.738 -0.064 0.000 0.900 16 Q HN 0.485 nan 8.270 nan 0.000 0.436 17 K N 0.918 121.226 120.400 -0.154 0.000 2.001 17 K HA -0.161 4.159 4.320 0.000 0.000 0.214 17 K C 2.110 178.756 176.600 0.077 0.000 1.050 17 K CA 1.406 57.647 56.287 -0.075 0.000 0.934 17 K CB -0.659 31.742 32.500 -0.165 0.000 0.718 17 K HN 0.174 nan 8.250 nan 0.000 0.443 18 A N 0.752 123.608 122.820 0.061 0.000 1.873 18 A HA -0.244 4.077 4.320 0.000 0.000 0.218 18 A C 2.246 179.901 177.584 0.117 0.000 1.193 18 A CA 1.872 53.956 52.037 0.079 0.000 0.629 18 A CB -1.120 17.926 19.000 0.077 0.000 0.826 18 A HN 0.458 nan 8.150 nan 0.000 0.447 19 Y N -1.310 119.016 120.300 0.043 0.000 2.128 19 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 19 Y C 2.135 178.069 175.900 0.057 0.000 1.154 19 Y CA 2.230 60.361 58.100 0.052 0.000 1.149 19 Y CB -0.373 38.147 38.460 0.099 0.000 0.976 19 Y HN 0.363 nan 8.280 nan 0.000 0.505 20 F N 0.783 120.704 119.950 -0.049 0.000 2.126 20 F HA -0.227 4.301 4.527 0.001 0.000 0.299 20 F C 2.272 177.980 175.800 -0.152 0.000 1.096 20 F CA 1.538 59.460 58.000 -0.130 0.000 1.255 20 F CB -0.875 38.111 39.000 -0.024 0.000 0.997 20 F HN 0.065 nan 8.300 nan 0.000 0.479 21 A N -0.996 121.702 122.820 -0.202 0.000 2.125 21 A HA -0.128 4.192 4.320 0.000 0.000 0.219 21 A C 2.100 179.507 177.584 -0.295 0.000 1.156 21 A CA 1.847 53.727 52.037 -0.262 0.000 0.671 21 A CB -1.342 17.615 19.000 -0.072 0.000 0.794 21 A HN 0.438 nan 8.150 nan 0.000 0.459 22 T N -0.950 113.419 114.554 -0.309 0.000 2.962 22 T HA -0.046 4.304 4.350 0.000 0.000 0.270 22 T C 0.851 175.336 174.700 -0.359 0.000 1.088 22 T CA 1.021 62.948 62.100 -0.289 0.000 1.127 22 T CB -0.235 68.457 68.868 -0.294 0.000 0.883 22 T HN 0.662 nan 8.240 nan 0.000 0.493 23 R N -1.280 118.917 120.500 -0.505 0.000 3.908 23 R HA -0.199 4.141 4.340 0.000 0.000 0.381 23 R C 1.462 177.471 176.300 -0.485 0.000 1.135 23 R CA 0.357 56.169 56.100 -0.479 0.000 0.990 23 R CB -2.000 28.108 30.300 -0.321 0.000 1.557 23 R HN 0.423 nan 8.270 nan 0.000 0.535 24 A N 0.562 122.991 122.820 -0.651 0.000 1.978 24 A HA -0.180 4.140 4.320 0.000 0.000 0.220 24 A C 2.025 178.966 177.584 -1.072 0.000 1.170 24 A CA 2.034 53.591 52.037 -0.800 0.000 0.636 24 A CB -0.451 17.897 19.000 -1.085 0.000 0.810 24 A HN 0.564 nan 8.150 nan 0.000 0.448 25 T N -3.568 110.484 114.554 -0.836 0.000 3.144 25 T HA 0.540 4.890 4.350 0.000 0.000 0.249 25 T C 1.429 176.027 174.700 -0.170 0.000 1.089 25 T CA 0.828 62.554 62.100 -0.623 0.000 0.989 25 T CB 0.204 69.068 68.868 -0.007 0.000 0.992 25 T HN 0.438 nan 8.240 nan 0.000 0.540 26 A N 2.407 125.099 122.820 -0.213 0.000 1.854 26 A HA 0.141 4.462 4.320 0.000 0.000 0.214 26 A C 1.106 178.705 177.584 0.025 0.000 1.192 26 A CA 0.939 52.939 52.037 -0.062 0.000 0.611 26 A CB -0.763 18.170 19.000 -0.111 0.000 0.832 26 A HN 0.782 nan 8.150 nan 0.000 0.442 27 D N -1.670 118.736 120.400 0.010 0.000 2.313 27 D HA 0.259 4.899 4.640 0.000 0.000 0.247 27 D C 0.837 177.214 176.300 0.129 0.000 1.094 27 D CA 0.068 54.104 54.000 0.060 0.000 0.925 27 D CB 1.300 42.120 40.800 0.033 0.000 1.188 27 D HN -0.026 nan 8.370 nan 0.000 0.430 28 V N 3.199 123.173 119.914 0.099 0.000 2.515 28 V HA -0.028 4.092 4.120 0.000 0.000 0.250 28 V C 2.012 178.163 176.094 0.095 0.000 1.058 28 V CA 2.402 64.762 62.300 0.099 0.000 1.064 28 V CB -0.919 30.931 31.823 0.044 0.000 0.675 28 V HN 0.831 nan 8.190 nan 0.000 0.461 29 G N -0.689 108.160 108.800 0.081 0.000 2.476 29 G HA2 -0.372 3.588 3.960 0.000 0.000 0.218 29 G HA3 -0.372 3.588 3.960 0.000 0.000 0.218 29 G C 1.556 176.517 174.900 0.102 0.000 1.164 29 G CA 1.257 46.398 45.100 0.068 0.000 0.768 29 G HN 0.600 nan 8.290 nan 0.000 0.560 30 F N 1.829 121.784 119.950 0.008 0.000 2.134 30 F HA -0.042 4.486 4.527 0.001 0.000 0.299 30 F C 2.930 178.753 175.800 0.038 0.000 1.097 30 F CA 1.712 59.714 58.000 0.004 0.000 1.264 30 F CB -0.061 38.922 39.000 -0.028 0.000 1.001 30 F HN 0.006 nan 8.300 nan 0.000 0.479 31 R N 0.523 121.159 120.500 0.227 0.000 2.073 31 R HA -0.157 4.183 4.340 0.000 0.000 0.234 31 R C 2.186 178.510 176.300 0.041 0.000 1.134 31 R CA 1.833 58.029 56.100 0.160 0.000 0.952 31 R CB -0.581 29.869 30.300 0.249 0.000 0.850 31 R HN 0.288 nan 8.270 nan 0.000 0.433 32 K N 1.025 121.442 120.400 0.028 0.000 2.032 32 K HA -0.237 4.083 4.320 0.000 0.000 0.209 32 K C 2.272 178.855 176.600 -0.028 0.000 1.048 32 K CA 2.065 58.349 56.287 -0.004 0.000 0.927 32 K CB -0.120 32.367 32.500 -0.021 0.000 0.712 32 K HN 0.209 nan 8.250 nan 0.000 0.441 33 Q N 0.402 120.162 119.800 -0.068 0.000 2.167 33 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 33 Q C 1.740 177.693 176.000 -0.078 0.000 0.970 33 Q CA 1.971 57.724 55.803 -0.084 0.000 0.855 33 Q CB -0.340 28.340 28.738 -0.097 0.000 0.911 33 Q HN -0.009 nan 8.270 nan 0.000 0.438 34 S N 0.606 116.229 115.700 -0.128 0.000 2.382 34 S HA -0.042 4.428 4.470 0.000 0.000 0.228 34 S C 1.744 176.502 174.600 0.264 0.000 1.027 34 S CA 1.314 59.582 58.200 0.113 0.000 0.991 34 S CB -0.303 62.913 63.200 0.026 0.000 0.823 34 S HN 0.370 nan 8.310 nan 0.000 0.469 35 L N 1.273 122.575 121.223 0.132 0.000 2.044 35 L HA -0.062 4.279 4.340 0.000 0.000 0.205 35 L C 2.653 179.560 176.870 0.062 0.000 1.075 35 L CA 0.966 55.879 54.840 0.123 0.000 0.747 35 L CB -0.590 41.519 42.059 0.084 0.000 0.903 35 L HN 0.211 nan 8.230 nan 0.000 0.435 36 E N 0.512 120.722 120.200 0.016 0.000 2.114 36 E HA -0.252 4.098 4.350 0.000 0.000 0.199 36 E C 2.256 178.829 176.600 -0.045 0.000 1.008 36 E CA 1.390 57.778 56.400 -0.020 0.000 0.810 36 E CB -0.257 29.423 29.700 -0.033 0.000 0.739 36 E HN 0.480 nan 8.360 nan 0.000 0.456 37 R N 0.128 120.592 120.500 -0.061 0.000 2.075 37 R HA -0.095 4.246 4.340 0.000 0.000 0.232 37 R C 2.530 178.689 176.300 -0.236 0.000 1.126 37 R CA 0.771 56.768 56.100 -0.171 0.000 0.963 37 R CB -0.503 29.645 30.300 -0.253 0.000 0.858 37 R HN 0.096 nan 8.270 nan 0.000 0.435 38 L N 1.960 123.098 121.223 -0.141 0.000 2.042 38 L HA -0.209 4.131 4.340 0.000 0.000 0.210 38 L C 2.259 179.100 176.870 -0.050 0.000 1.076 38 L CA 1.876 56.677 54.840 -0.066 0.000 0.749 38 L CB -0.485 41.686 42.059 0.187 0.000 0.893 38 L HN 0.022 nan 8.230 nan 0.000 0.432 39 K N -0.321 120.062 120.400 -0.029 0.000 2.026 39 K HA -0.252 4.068 4.320 0.000 0.000 0.208 39 K C 2.071 178.637 176.600 -0.056 0.000 1.048 39 K CA 1.824 58.091 56.287 -0.033 0.000 0.929 39 K CB -0.257 32.227 32.500 -0.027 0.000 0.713 39 K HN 0.700 nan 8.250 nan 0.000 0.439 40 E N 0.008 120.166 120.200 -0.070 0.000 2.106 40 E HA -0.152 4.198 4.350 0.000 0.000 0.192 40 E C 1.764 178.316 176.600 -0.081 0.000 0.984 40 E CA 1.015 57.372 56.400 -0.072 0.000 0.806 40 E CB -0.204 29.453 29.700 -0.072 0.000 0.750 40 E HN 0.339 nan 8.360 nan 0.000 0.458 41 A N 1.235 123.990 122.820 -0.108 0.000 1.969 41 A HA -0.049 4.271 4.320 0.000 0.000 0.218 41 A C 2.411 179.948 177.584 -0.079 0.000 1.169 41 A CA 1.211 53.183 52.037 -0.108 0.000 0.635 41 A CB -0.501 18.402 19.000 -0.161 0.000 0.810 41 A HN 0.213 nan 8.150 nan 0.000 0.445 42 V N 0.153 120.025 119.914 -0.069 0.000 2.323 42 V HA -0.229 3.891 4.120 0.000 0.000 0.244 42 V C 2.397 178.448 176.094 -0.071 0.000 1.041 42 V CA 1.914 64.178 62.300 -0.060 0.000 1.025 42 V CB -0.596 31.202 31.823 -0.042 0.000 0.656 42 V HN 0.577 nan 8.190 nan 0.000 0.451 43 I N 0.555 121.086 120.570 -0.064 0.000 2.264 43 I HA -0.238 3.932 4.170 0.000 0.000 0.248 43 I C 2.135 178.217 176.117 -0.059 0.000 1.111 43 I CA 1.345 62.609 61.300 -0.060 0.000 1.382 43 I CB -0.478 37.493 38.000 -0.050 0.000 1.060 43 I HN 0.346 nan 8.210 nan 0.000 0.418 44 N N 0.982 119.648 118.700 -0.057 0.000 2.573 44 N HA -0.087 4.654 4.740 0.000 0.000 0.187 44 N C 0.687 176.164 175.510 -0.054 0.000 1.107 44 N CA 0.832 53.852 53.050 -0.050 0.000 0.918 44 N CB -0.149 38.309 38.487 -0.049 0.000 0.966 44 N HN 0.466 nan 8.380 nan 0.000 0.448 45 N N -0.329 118.327 118.700 -0.073 0.000 2.240 45 N HA 0.106 4.847 4.740 0.000 0.000 0.240 45 N C 0.769 176.193 175.510 -0.144 0.000 1.277 45 N CA -0.133 52.868 53.050 -0.082 0.000 0.873 45 N CB 0.886 39.335 38.487 -0.064 0.000 1.222 45 N HN 0.142 nan 8.380 nan 0.000 0.507 46 K N 1.259 121.550 120.400 -0.183 0.000 2.015 46 K HA -0.157 4.164 4.320 0.000 0.000 0.216 46 K C 1.367 177.647 176.600 -0.532 0.000 1.052 46 K CA 1.289 57.347 56.287 -0.382 0.000 0.937 46 K CB 0.169 32.508 32.500 -0.268 0.000 0.719 46 K HN 0.123 nan 8.250 nan 0.000 0.446 47 E N 0.403 120.488 120.200 -0.192 0.000 2.058 47 E HA -0.196 4.154 4.350 0.000 0.000 0.194 47 E C 2.081 178.669 176.600 -0.020 0.000 0.997 47 E CA 1.376 57.780 56.400 0.007 0.000 0.801 47 E CB -0.357 29.389 29.700 0.077 0.000 0.746 47 E HN 0.357 nan 8.360 nan 0.000 0.450 48 A N 1.128 123.917 122.820 -0.051 0.000 1.978 48 A HA -0.149 4.172 4.320 0.000 0.000 0.220 48 A C 2.396 179.957 177.584 -0.040 0.000 1.170 48 A CA 1.091 53.113 52.037 -0.025 0.000 0.636 48 A CB -0.636 18.350 19.000 -0.024 0.000 0.810 48 A HN 0.165 nan 8.150 nan 0.000 0.448 49 L N -1.991 119.153 121.223 -0.132 0.000 2.027 49 L HA -0.176 4.165 4.340 0.000 0.000 0.206 49 L C 2.599 179.433 176.870 -0.059 0.000 1.074 49 L CA 1.288 56.047 54.840 -0.135 0.000 0.745 49 L CB -0.749 41.174 42.059 -0.227 0.000 0.898 49 L HN 0.429 nan 8.230 nan 0.000 0.433 50 Y N 0.244 120.552 120.300 0.014 0.000 2.040 50 Y HA -0.306 4.244 4.550 0.001 0.000 0.275 50 Y C 2.986 178.894 175.900 0.012 0.000 1.171 50 Y CA 1.368 59.475 58.100 0.011 0.000 1.123 50 Y CB -1.312 37.153 38.460 0.008 0.000 0.963 50 Y HN 0.111 nan 8.280 nan 0.000 0.493 51 S N -0.083 115.724 115.700 0.178 0.000 2.351 51 S HA -0.272 4.199 4.470 0.000 0.000 0.220 51 S C 2.393 177.038 174.600 0.075 0.000 1.035 51 S CA 1.340 59.602 58.200 0.104 0.000 1.031 51 S CB -0.969 62.276 63.200 0.075 0.000 0.928 51 S HN 0.534 nan 8.310 nan 0.000 0.433 52 A N 1.274 124.128 122.820 0.057 0.000 1.892 52 A HA -0.113 4.207 4.320 0.000 0.000 0.218 52 A C 2.179 179.796 177.584 0.055 0.000 1.188 52 A CA 1.549 53.615 52.037 0.048 0.000 0.631 52 A CB -0.860 18.161 19.000 0.035 0.000 0.822 52 A HN 0.464 nan 8.150 nan 0.000 0.447 53 L N -1.185 120.074 121.223 0.061 0.000 2.156 53 L HA -0.119 4.222 4.340 0.000 0.000 0.208 53 L C 3.086 179.990 176.870 0.057 0.000 1.095 53 L CA 0.765 55.640 54.840 0.057 0.000 0.770 53 L CB -0.494 41.599 42.059 0.058 0.000 0.914 53 L HN 0.462 nan 8.230 nan 0.000 0.439 54 A N 0.124 122.985 122.820 0.070 0.000 1.858 54 A HA -0.273 4.048 4.320 0.000 0.000 0.216 54 A C 2.165 179.776 177.584 0.044 0.000 1.190 54 A CA 1.991 54.060 52.037 0.054 0.000 0.617 54 A CB -0.511 18.523 19.000 0.058 0.000 0.827 54 A HN 0.368 nan 8.150 nan 0.000 0.443 55 E N 0.445 120.673 120.200 0.046 0.000 2.038 55 E HA -0.207 4.144 4.350 0.000 0.000 0.195 55 E C 1.487 178.110 176.600 0.040 0.000 1.000 55 E CA 1.982 58.406 56.400 0.039 0.000 0.803 55 E CB -0.288 29.436 29.700 0.039 0.000 0.750 55 E HN 0.551 nan 8.360 nan 0.000 0.448 56 D N -0.855 119.574 120.400 0.048 0.000 2.123 56 D HA -0.042 4.599 4.640 0.000 0.000 0.200 56 D C 1.481 177.816 176.300 0.060 0.000 0.976 56 D CA 1.041 55.074 54.000 0.056 0.000 0.831 56 D CB 0.207 41.050 40.800 0.072 0.000 0.974 56 D HN 0.259 nan 8.370 nan 0.000 0.469 57 L N -1.669 119.587 121.223 0.054 0.000 3.217 57 L HA 0.281 4.621 4.340 0.000 0.000 0.288 57 L C 0.934 177.825 176.870 0.034 0.000 1.202 57 L CA 0.120 54.992 54.840 0.055 0.000 1.027 57 L CB 1.249 43.338 42.059 0.051 0.000 1.427 57 L HN 0.046 nan 8.230 nan 0.000 0.600 58 G N 1.416 110.235 108.800 0.032 0.000 2.198 58 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 58 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 58 G C 0.089 175.002 174.900 0.022 0.000 1.042 58 G CA -0.009 45.107 45.100 0.026 0.000 0.791 58 G HN 0.290 nan 8.290 nan 0.000 0.502 59 K N 0.832 121.246 120.400 0.023 0.000 2.339 59 K HA 0.329 4.649 4.320 0.000 0.000 0.286 59 K C -2.221 174.398 176.600 0.031 0.000 1.050 59 K CA -1.435 54.864 56.287 0.021 0.000 0.956 59 K CB 0.976 33.485 32.500 0.015 0.000 0.990 59 K HN 0.096 nan 8.250 nan 0.000 0.475 60 P HA 0.004 nan 4.420 nan 0.000 0.269 60 P C 0.564 177.863 177.300 -0.003 0.000 1.209 60 P CA -0.193 62.909 63.100 0.003 0.000 0.776 60 P CB 0.715 32.421 31.700 0.010 0.000 0.876 61 K N 1.615 121.966 120.400 -0.082 0.000 2.074 61 K HA -0.222 4.098 4.320 0.000 0.000 0.209 61 K C 0.980 177.533 176.600 -0.078 0.000 1.048 61 K CA 1.776 57.941 56.287 -0.205 0.000 0.926 61 K CB -0.231 31.999 32.500 -0.451 0.000 0.713 61 K HN 0.375 nan 8.250 nan 0.000 0.444 62 D N -0.162 120.205 120.400 -0.055 0.000 2.264 62 D HA -0.096 4.544 4.640 0.000 0.000 0.208 62 D C 1.688 178.005 176.300 0.028 0.000 0.966 62 D CA 0.629 54.620 54.000 -0.015 0.000 0.864 62 D CB 0.216 41.001 40.800 -0.024 0.000 0.933 62 D HN 0.050 nan 8.370 nan 0.000 0.499 63 V N -0.015 119.930 119.914 0.051 0.000 2.446 63 V HA -0.119 4.002 4.120 0.000 0.000 0.244 63 V C 2.512 178.668 176.094 0.102 0.000 1.039 63 V CA 0.606 62.957 62.300 0.085 0.000 1.045 63 V CB -0.109 31.770 31.823 0.093 0.000 0.681 63 V HN 0.038 nan 8.190 nan 0.000 0.459 64 V N 0.358 120.346 119.914 0.122 0.000 2.469 64 V HA -0.258 3.862 4.120 0.000 0.000 0.251 64 V C 2.183 178.373 176.094 0.159 0.000 1.064 64 V CA 2.084 64.480 62.300 0.161 0.000 1.066 64 V CB -0.661 31.321 31.823 0.264 0.000 0.667 64 V HN 0.538 nan 8.190 nan 0.000 0.461 65 D N -0.554 119.940 120.400 0.158 0.000 2.183 65 D HA -0.060 4.581 4.640 0.000 0.000 0.203 65 D C 1.831 178.159 176.300 0.047 0.000 0.969 65 D CA 0.856 54.930 54.000 0.124 0.000 0.842 65 D CB 0.104 40.971 40.800 0.112 0.000 0.957 65 D HN 0.415 nan 8.370 nan 0.000 0.484 66 L N 0.270 121.493 121.223 -0.001 0.000 2.071 66 L HA 0.184 4.524 4.340 0.000 0.000 0.201 66 L C 1.869 178.601 176.870 -0.230 0.000 1.076 66 L CA 1.604 56.362 54.840 -0.137 0.000 0.755 66 L CB -0.514 41.453 42.059 -0.153 0.000 0.915 66 L HN -0.077 nan 8.230 nan 0.000 0.445 67 A N -1.702 121.091 122.820 -0.045 0.000 2.195 67 A HA 0.141 4.462 4.320 0.000 0.000 0.210 67 A C 1.793 179.531 177.584 0.256 0.000 1.165 67 A CA 0.508 52.631 52.037 0.143 0.000 0.806 67 A CB -0.162 19.116 19.000 0.464 0.000 0.847 67 A HN 0.536 nan 8.150 nan 0.000 0.482 68 E N -0.423 119.878 120.200 0.167 0.000 2.645 68 E HA 0.190 4.540 4.350 0.000 0.000 0.198 68 E C 1.836 178.491 176.600 0.093 0.000 1.091 68 E CA 0.114 56.606 56.400 0.154 0.000 1.096 68 E CB -0.479 29.297 29.700 0.126 0.000 2.013 68 E HN 0.411 nan 8.360 nan 0.000 0.537 69 I N 1.860 122.465 120.570 0.059 0.000 2.099 69 I HA -0.214 3.956 4.170 0.000 0.000 0.239 69 I C 2.549 178.688 176.117 0.036 0.000 1.066 69 I CA 1.780 63.095 61.300 0.024 0.000 1.324 69 I CB -0.754 37.239 38.000 -0.011 0.000 1.037 69 I HN 0.239 nan 8.210 nan 0.000 0.401 70 G N 0.297 109.132 108.800 0.058 0.000 2.442 70 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 70 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 70 G C 1.856 176.895 174.900 0.232 0.000 1.141 70 G CA 0.895 46.062 45.100 0.112 0.000 0.763 70 G HN 0.518 nan 8.290 nan 0.000 0.554 71 A N 0.416 123.308 122.820 0.120 0.000 1.883 71 A HA 0.003 4.324 4.320 0.000 0.000 0.217 71 A C 2.721 180.364 177.584 0.099 0.000 1.186 71 A CA 2.540 54.649 52.037 0.120 0.000 0.624 71 A CB -0.916 18.187 19.000 0.171 0.000 0.822 71 A HN 0.985 nan 8.150 nan 0.000 0.444 72 V N -0.773 119.186 119.914 0.076 0.000 2.453 72 V HA -0.130 3.991 4.120 0.000 0.000 0.247 72 V C 2.178 178.298 176.094 0.044 0.000 1.048 72 V CA 1.952 64.285 62.300 0.055 0.000 1.049 72 V CB -0.591 31.265 31.823 0.055 0.000 0.672 72 V HN 0.483 nan 8.190 nan 0.000 0.457 73 L N -0.072 121.157 121.223 0.010 0.000 2.046 73 L HA -0.135 4.206 4.340 0.000 0.000 0.208 73 L C 2.704 179.527 176.870 -0.080 0.000 1.077 73 L CA 2.311 57.113 54.840 -0.063 0.000 0.747 73 L CB -0.904 41.067 42.059 -0.148 0.000 0.896 73 L HN 0.405 nan 8.230 nan 0.000 0.432 74 H N -0.943 118.137 119.070 0.017 0.000 2.353 74 H HA -0.205 4.351 4.556 0.000 0.000 0.300 74 H C 2.219 177.585 175.328 0.064 0.000 1.090 74 H CA 1.555 57.623 56.048 0.033 0.000 1.327 74 H CB 0.074 29.837 29.762 0.002 0.000 1.383 74 H HN 0.200 nan 8.280 nan 0.000 0.508 75 E N 0.721 121.003 120.200 0.137 0.000 2.110 75 E HA -0.118 4.233 4.350 0.000 0.000 0.193 75 E C 1.978 178.686 176.600 0.181 0.000 0.988 75 E CA 0.933 57.397 56.400 0.106 0.000 0.804 75 E CB -0.226 29.480 29.700 0.011 0.000 0.745 75 E HN 0.468 nan 8.360 nan 0.000 0.458 76 I N 0.765 121.409 120.570 0.122 0.000 2.226 76 I HA -0.256 3.914 4.170 0.000 0.000 0.245 76 I C 1.661 177.838 176.117 0.100 0.000 1.100 76 I CA 1.309 62.673 61.300 0.107 0.000 1.374 76 I CB -0.263 37.773 38.000 0.060 0.000 1.057 76 I HN 0.108 nan 8.210 nan 0.000 0.413 77 D N 0.467 120.921 120.400 0.089 0.000 2.144 77 D HA -0.195 4.445 4.640 0.000 0.000 0.200 77 D C 1.952 178.314 176.300 0.103 0.000 0.978 77 D CA 1.227 55.264 54.000 0.062 0.000 0.833 77 D CB -0.317 40.507 40.800 0.040 0.000 0.961 77 D HN 0.252 nan 8.370 nan 0.000 0.470 78 F N 1.603 121.583 119.950 0.050 0.000 2.171 78 F HA -0.149 4.379 4.527 0.001 0.000 0.300 78 F C 2.196 178.046 175.800 0.083 0.000 1.090 78 F CA 1.392 59.449 58.000 0.093 0.000 1.293 78 F CB 0.024 39.059 39.000 0.058 0.000 1.013 78 F HN -0.078 nan 8.300 nan 0.000 0.486 79 A N 0.398 123.354 122.820 0.226 0.000 1.873 79 A HA -0.113 4.207 4.320 0.000 0.000 0.215 79 A C 2.206 179.661 177.584 -0.215 0.000 1.186 79 A CA 1.582 53.652 52.037 0.054 0.000 0.616 79 A CB -1.172 17.984 19.000 0.260 0.000 0.823 79 A HN 0.442 nan 8.150 nan 0.000 0.442 80 L N -0.651 120.505 121.223 -0.111 0.000 2.127 80 L HA -0.216 4.124 4.340 0.000 0.000 0.211 80 L C 2.902 179.607 176.870 -0.276 0.000 1.089 80 L CA 1.033 55.780 54.840 -0.156 0.000 0.757 80 L CB -0.337 41.669 42.059 -0.088 0.000 0.899 80 L HN 0.452 nan 8.230 nan 0.000 0.434 81 A N -1.432 121.186 122.820 -0.337 0.000 2.119 81 A HA -0.130 4.190 4.320 0.000 0.000 0.216 81 A C 1.552 178.639 177.584 -0.828 0.000 1.152 81 A CA 1.155 52.889 52.037 -0.505 0.000 0.708 81 A CB -0.473 18.232 19.000 -0.491 0.000 0.805 81 A HN 0.509 nan 8.150 nan 0.000 0.460 82 H N -2.743 115.801 119.070 -0.877 0.000 3.241 82 H HA 0.235 4.791 4.556 0.000 0.000 0.260 82 H C 1.412 175.895 175.328 -1.408 0.000 1.084 82 H CA -0.036 55.264 56.048 -1.247 0.000 1.203 82 H CB 0.337 29.035 29.762 -1.773 0.000 1.524 82 H HN 0.295 nan 8.280 nan 0.000 0.521 83 L N 1.198 121.882 121.223 -0.899 0.000 2.042 83 L HA -0.175 4.165 4.340 0.000 0.000 0.210 83 L C 1.210 177.868 176.870 -0.352 0.000 1.076 83 L CA 1.800 56.311 54.840 -0.549 0.000 0.749 83 L CB -0.302 41.614 42.059 -0.238 0.000 0.893 83 L HN 0.200 nan 8.230 nan 0.000 0.432 84 D N -0.586 119.627 120.400 -0.313 0.000 2.133 84 D HA -0.246 4.395 4.640 0.000 0.000 0.195 84 D C 2.080 178.273 176.300 -0.180 0.000 0.997 84 D CA 1.496 55.376 54.000 -0.200 0.000 0.840 84 D CB 0.012 40.700 40.800 -0.186 0.000 0.947 84 D HN 0.556 nan 8.370 nan 0.000 0.452 85 E N -0.573 119.471 120.200 -0.261 0.000 2.046 85 E HA -0.132 4.218 4.350 0.000 0.000 0.190 85 E C 1.904 178.488 176.600 -0.027 0.000 0.982 85 E CA 0.593 56.903 56.400 -0.150 0.000 0.800 85 E CB -0.008 29.592 29.700 -0.167 0.000 0.756 85 E HN 0.261 nan 8.360 nan 0.000 0.449 86 W N 0.312 121.443 121.300 -0.283 0.000 2.364 86 W HA -0.103 4.557 4.660 0.000 0.000 0.281 86 W C 2.062 178.375 176.519 -0.343 0.000 1.219 86 W CA 0.309 57.403 57.345 -0.419 0.000 1.220 86 W CB -0.913 28.090 29.460 -0.760 0.000 1.127 86 W HN 0.039 nan 8.180 nan 0.000 0.556 87 V N 0.337 120.232 119.914 -0.031 0.000 3.406 87 V HA 0.177 4.298 4.120 0.000 0.000 0.263 87 V C 1.169 177.329 176.094 0.110 0.000 1.172 87 V CA 0.559 62.898 62.300 0.065 0.000 1.140 87 V CB -1.007 30.840 31.823 0.040 0.000 0.784 87 V HN -0.006 nan 8.190 nan 0.000 0.467 88 A N 1.583 124.445 122.820 0.069 0.000 2.451 88 A HA 0.486 4.806 4.320 0.000 0.000 0.266 88 A C -2.119 175.513 177.584 0.080 0.000 1.119 88 A CA -1.020 51.046 52.037 0.049 0.000 0.786 88 A CB -0.378 18.631 19.000 0.015 0.000 1.061 88 A HN 0.268 nan 8.150 nan 0.000 0.503 89 P HA 0.098 nan 4.420 nan 0.000 0.264 89 P C -0.643 176.696 177.300 0.064 0.000 1.179 89 P CA 0.183 63.326 63.100 0.071 0.000 0.763 89 P CB 0.408 32.074 31.700 -0.057 0.000 0.806 90 V N 3.246 123.239 119.914 0.132 0.000 2.328 90 V HA 0.193 4.313 4.120 0.000 0.000 0.278 90 V C 0.587 176.772 176.094 0.152 0.000 1.021 90 V CA -0.383 61.989 62.300 0.120 0.000 0.838 90 V CB 0.981 32.881 31.823 0.128 0.000 0.999 90 V HN 0.689 nan 8.190 nan 0.000 0.447 91 S N 5.638 121.402 115.700 0.106 0.000 2.580 91 S HA 0.699 5.169 4.470 0.000 0.000 0.274 91 S C -0.255 174.410 174.600 0.109 0.000 1.329 91 S CA -0.349 57.931 58.200 0.133 0.000 1.036 91 S CB 1.656 64.899 63.200 0.070 0.000 0.919 91 S HN 1.171 nan 8.310 nan 0.000 0.515 92 V N -1.441 118.539 119.914 0.110 0.000 3.160 92 V HA 0.805 4.925 4.120 0.000 0.000 0.310 92 V C -3.037 173.094 176.094 0.062 0.000 1.181 92 V CA -2.501 59.845 62.300 0.076 0.000 1.047 92 V CB 0.317 32.180 31.823 0.066 0.000 1.068 92 V HN 0.773 nan 8.190 nan 0.000 0.441 93 P HA 0.459 nan 4.420 nan 0.000 0.272 93 P C -0.680 176.641 177.300 0.033 0.000 1.240 93 P CA -0.076 63.047 63.100 0.038 0.000 0.791 93 P CB 0.581 32.299 31.700 0.031 0.000 0.978 94 S N 1.195 116.912 115.700 0.029 0.000 2.552 94 S HA 0.502 4.972 4.470 0.000 0.000 0.314 94 S C -2.336 172.275 174.600 0.018 0.000 1.099 94 S CA -0.925 57.289 58.200 0.022 0.000 1.070 94 S CB 0.541 63.755 63.200 0.023 0.000 0.998 94 S HN 0.346 nan 8.310 nan 0.000 0.474 95 P HA 0.190 nan 4.420 nan 0.000 0.270 95 P C 0.315 177.621 177.300 0.011 0.000 1.223 95 P CA -0.335 62.773 63.100 0.012 0.000 0.785 95 P CB 0.506 32.212 31.700 0.010 0.000 0.923 96 D N 0.481 120.887 120.400 0.010 0.000 2.178 96 D HA -0.107 4.534 4.640 0.000 0.000 0.202 96 D C 1.699 178.003 176.300 0.008 0.000 0.974 96 D CA 1.096 55.101 54.000 0.009 0.000 0.841 96 D CB -0.181 40.624 40.800 0.008 0.000 0.953 96 D HN 0.484 nan 8.370 nan 0.000 0.478 97 I N -0.542 120.032 120.570 0.007 0.000 2.700 97 I HA -0.104 4.067 4.170 0.000 0.000 0.261 97 I C 2.082 178.202 176.117 0.005 0.000 1.219 97 I CA 0.963 62.266 61.300 0.005 0.000 1.463 97 I CB -0.547 37.455 38.000 0.005 0.000 1.092 97 I HN -0.045 nan 8.210 nan 0.000 0.452 98 I N -1.202 119.371 120.570 0.006 0.000 4.025 98 I HA 0.558 4.728 4.170 0.000 0.000 0.336 98 I C 0.975 177.096 176.117 0.007 0.000 1.390 98 I CA -0.685 60.618 61.300 0.005 0.000 1.099 98 I CB -0.116 37.885 38.000 0.003 0.000 1.049 98 I HN 0.054 nan 8.210 nan 0.000 0.394 99 A N 2.923 125.748 122.820 0.008 0.000 2.371 99 A HA 0.645 4.965 4.320 0.000 0.000 0.257 99 A C -2.147 175.443 177.584 0.009 0.000 1.089 99 A CA -0.880 51.163 52.037 0.010 0.000 0.794 99 A CB -0.538 18.469 19.000 0.011 0.000 1.029 99 A HN 0.320 nan 8.150 nan 0.000 0.488 100 P HA 0.575 nan 4.420 nan 0.000 0.284 100 P C -0.642 176.667 177.300 0.015 0.000 1.253 100 P CA -0.303 62.805 63.100 0.014 0.000 0.800 100 P CB 1.433 33.141 31.700 0.013 0.000 0.961 101 S N 0.247 115.959 115.700 0.020 0.000 2.543 101 S HA 0.321 4.792 4.470 0.000 0.000 0.274 101 S C -1.699 172.922 174.600 0.035 0.000 1.149 101 S CA -0.677 57.537 58.200 0.022 0.000 0.866 101 S CB 1.104 64.313 63.200 0.015 0.000 1.111 101 S HN 0.449 nan 8.310 nan 0.000 0.457 102 E N 1.465 121.695 120.200 0.049 0.000 2.199 102 E HA 0.563 4.913 4.350 0.000 0.000 0.265 102 E C -1.280 175.378 176.600 0.096 0.000 0.882 102 E CA -0.558 55.892 56.400 0.083 0.000 0.759 102 E CB 1.578 31.339 29.700 0.102 0.000 1.148 102 E HN 0.523 nan 8.360 nan 0.000 0.412 103 C N 2.599 121.963 119.300 0.106 0.000 2.707 103 C HA 0.763 5.224 4.460 0.000 0.000 0.313 103 C C -1.149 173.946 174.990 0.175 0.000 1.209 103 C CA -0.809 58.239 59.018 0.049 0.000 1.635 103 C CB 0.243 27.989 27.740 0.009 0.000 2.206 103 C HN 0.872 nan 8.230 nan 0.000 0.485 104 Y N -0.368 119.940 120.300 0.014 0.000 2.713 104 Y HA 0.734 5.284 4.550 -0.000 0.000 0.335 104 Y C -1.118 174.789 175.900 0.012 0.000 1.222 104 Y CA -1.264 56.846 58.100 0.016 0.000 1.061 104 Y CB 0.631 39.102 38.460 0.018 0.000 1.314 104 Y HN 0.654 nan 8.280 nan 0.000 0.453 105 V N 1.117 121.159 119.914 0.214 0.000 2.735 105 V HA 0.915 5.035 4.120 0.000 0.000 0.310 105 V C -1.771 174.428 176.094 0.174 0.000 1.061 105 V CA -0.794 61.562 62.300 0.094 0.000 0.913 105 V CB 1.574 33.419 31.823 0.036 0.000 1.005 105 V HN 0.870 nan 8.190 nan 0.000 0.428 106 V N 5.401 125.366 119.914 0.084 0.000 2.628 106 V HA 0.537 4.658 4.120 0.000 0.000 0.306 106 V C -0.516 175.557 176.094 -0.036 0.000 1.045 106 V CA -0.583 61.770 62.300 0.088 0.000 0.905 106 V CB 1.987 33.866 31.823 0.093 0.000 0.997 106 V HN 0.956 nan 8.190 nan 0.000 0.436 107 Q N 3.402 123.207 119.800 0.008 0.000 2.390 107 Q HA 0.339 4.680 4.340 0.000 0.000 0.249 107 Q C -0.329 175.580 176.000 -0.152 0.000 0.996 107 Q CA -0.046 55.684 55.803 -0.121 0.000 0.899 107 Q CB 1.767 30.464 28.738 -0.068 0.000 1.216 107 Q HN 0.809 nan 8.270 nan 0.000 0.465 108 E N 4.138 124.159 120.200 -0.298 0.000 2.175 108 E HA 0.362 4.712 4.350 0.000 0.000 0.278 108 E C -2.369 174.162 176.600 -0.114 0.000 0.969 108 E CA -2.231 54.075 56.400 -0.157 0.000 0.796 108 E CB 1.252 30.860 29.700 -0.154 0.000 1.104 108 E HN 0.153 nan 8.360 nan 0.000 0.395 109 P HA -0.090 nan 4.420 nan 0.000 0.267 109 P C -0.549 176.771 177.300 0.033 0.000 1.201 109 P CA 0.456 63.599 63.100 0.072 0.000 0.775 109 P CB 0.312 32.190 31.700 0.296 0.000 0.854 110 Y N 1.169 121.497 120.300 0.048 0.000 2.231 110 Y HA 0.154 4.705 4.550 0.001 0.000 0.294 110 Y C 2.082 177.870 175.900 -0.186 0.000 1.120 110 Y CA 2.118 60.217 58.100 -0.002 0.000 1.141 110 Y CB -0.537 37.928 38.460 0.010 0.000 1.022 110 Y HN 0.657 nan 8.280 nan 0.000 0.523 111 G N -1.010 107.591 108.800 -0.332 0.000 1.930 111 G HA2 -0.113 3.848 3.960 0.000 0.000 0.054 111 G HA3 -0.113 3.848 3.960 0.000 0.000 0.054 111 G C -1.322 173.194 174.900 -0.641 0.000 0.902 111 G CA -0.362 44.022 45.100 -1.192 0.000 1.168 111 G HN -0.114 nan 8.290 nan 0.000 0.383 112 V N 2.952 122.690 119.914 -0.294 0.000 2.333 112 V HA 0.599 4.719 4.120 0.000 0.000 0.274 112 V C 0.823 177.107 176.094 0.316 0.000 1.028 112 V CA 0.384 62.653 62.300 -0.052 0.000 0.851 112 V CB 0.399 32.069 31.823 -0.256 0.000 1.000 112 V HN 1.151 nan 8.190 nan 0.000 0.456 113 T N 2.144 116.907 114.554 0.348 0.000 2.952 113 T HA 0.665 5.015 4.350 0.000 0.000 0.286 113 T C -1.014 173.889 174.700 0.340 0.000 1.024 113 T CA -0.671 61.687 62.100 0.430 0.000 1.029 113 T CB 1.939 71.105 68.868 0.496 0.000 1.094 113 T HN 0.440 nan 8.240 nan 0.000 0.515 114 Y N 1.187 121.389 120.300 -0.163 0.000 2.329 114 Y HA 0.628 5.179 4.550 0.000 0.000 0.328 114 Y C -1.518 174.290 175.900 -0.153 0.000 0.992 114 Y CA -2.311 55.503 58.100 -0.477 0.000 1.151 114 Y CB 0.988 38.497 38.460 -1.585 0.000 1.150 114 Y HN 0.754 nan 8.280 nan 0.000 0.450 115 I N 7.969 128.394 120.570 -0.243 0.000 2.355 115 I HA 0.385 4.556 4.170 0.000 0.000 0.288 115 I C -0.609 175.281 176.117 -0.377 0.000 0.999 115 I CA -0.585 60.594 61.300 -0.201 0.000 1.163 115 I CB 1.288 39.263 38.000 -0.042 0.000 1.316 115 I HN 0.507 nan 8.210 nan 0.000 0.454 116 I N 5.716 126.064 120.570 -0.371 0.000 2.315 116 I HA 0.367 4.537 4.170 0.000 0.000 0.291 116 I C 0.800 176.827 176.117 -0.150 0.000 1.006 116 I CA -0.249 60.895 61.300 -0.261 0.000 1.265 116 I CB 1.380 39.314 38.000 -0.111 0.000 1.387 116 I HN 0.580 nan 8.210 nan 0.000 0.475 117 G N 7.030 115.781 108.800 -0.081 0.000 2.389 117 G HA2 0.662 4.622 3.960 0.000 0.000 0.317 117 G HA3 0.662 4.622 3.960 0.000 0.000 0.317 117 G C -2.804 172.069 174.900 -0.045 0.000 1.137 117 G CA -1.184 43.886 45.100 -0.049 0.000 0.870 117 G HN 0.291 nan 8.290 nan 0.000 0.496 118 P HA 0.264 nan 4.420 nan 0.000 0.280 118 P C 0.550 177.891 177.300 0.068 0.000 1.272 118 P CA -0.848 62.238 63.100 -0.023 0.000 0.819 118 P CB 0.833 32.474 31.700 -0.098 0.000 1.122 119 F N 0.927 120.929 119.950 0.087 0.000 2.187 119 F HA -0.083 4.444 4.527 0.000 0.000 0.295 119 F C 1.693 177.566 175.800 0.122 0.000 1.091 119 F CA 1.303 59.363 58.000 0.100 0.000 1.308 119 F CB -1.532 37.528 39.000 0.101 0.000 1.030 119 F HN 0.152 nan 8.300 nan 0.000 0.487 120 N N 0.123 118.177 118.700 -1.076 0.000 2.223 120 N HA -0.228 4.513 4.740 0.000 0.000 0.185 120 N C -0.224 175.105 175.510 -0.302 0.000 1.016 120 N CA 1.457 54.009 53.050 -0.829 0.000 0.863 120 N CB -0.926 37.142 38.487 -0.698 0.000 0.983 120 N HN 0.586 nan 8.380 nan 0.000 0.429 121 Y N -0.611 119.606 120.300 -0.137 0.000 2.490 121 Y HA 0.392 4.942 4.550 0.000 0.000 0.346 121 Y C -1.841 174.064 175.900 0.009 0.000 1.023 121 Y CA -1.863 56.222 58.100 -0.025 0.000 1.142 121 Y CB 1.995 40.452 38.460 -0.004 0.000 1.126 121 Y HN -0.002 nan 8.280 nan 0.000 0.647 122 P HA -0.185 nan 4.420 nan 0.000 0.216 122 P C 1.522 178.880 177.300 0.096 0.000 1.150 122 P CA 1.294 64.451 63.100 0.095 0.000 0.837 122 P CB 0.424 32.177 31.700 0.088 0.000 0.786 123 V N 0.141 120.115 119.914 0.099 0.000 2.346 123 V HA -0.162 3.958 4.120 0.000 0.000 0.244 123 V C 2.424 178.582 176.094 0.106 0.000 1.037 123 V CA 1.952 64.304 62.300 0.086 0.000 1.029 123 V CB -1.376 30.487 31.823 0.066 0.000 0.663 123 V HN 0.181 nan 8.190 nan 0.000 0.454 124 N N 1.011 119.800 118.700 0.149 0.000 2.084 124 N HA -0.126 4.614 4.740 0.000 0.000 0.190 124 N C 1.514 177.112 175.510 0.146 0.000 1.030 124 N CA 1.727 54.866 53.050 0.149 0.000 0.849 124 N CB -0.236 38.362 38.487 0.186 0.000 1.012 124 N HN 0.475 nan 8.380 nan 0.000 0.423 125 L N 0.478 121.792 121.223 0.150 0.000 2.612 125 L HA 0.110 4.451 4.340 0.000 0.000 0.230 125 L C 1.648 178.574 176.870 0.093 0.000 1.140 125 L CA 0.596 55.528 54.840 0.152 0.000 0.896 125 L CB -0.123 42.017 42.059 0.134 0.000 1.065 125 L HN 0.307 nan 8.230 nan 0.000 0.447 126 T N -4.764 109.833 114.554 0.071 0.000 3.058 126 T HA 0.148 4.498 4.350 0.000 0.000 0.247 126 T C 1.629 176.338 174.700 0.014 0.000 0.987 126 T CA -0.068 62.049 62.100 0.029 0.000 1.062 126 T CB -0.078 68.813 68.868 0.038 0.000 1.048 126 T HN 0.114 nan 8.240 nan 0.000 0.468 127 L N 1.219 122.469 121.223 0.045 0.000 2.209 127 L HA 0.091 4.431 4.340 0.000 0.000 0.207 127 L C 2.934 179.831 176.870 0.044 0.000 1.094 127 L CA 1.144 56.011 54.840 0.044 0.000 0.790 127 L CB -0.875 41.220 42.059 0.061 0.000 0.932 127 L HN 0.313 nan 8.230 nan 0.000 0.447 128 T N 0.365 114.969 114.554 0.084 0.000 2.674 128 T HA -0.092 4.258 4.350 0.000 0.000 0.265 128 T C -0.503 174.278 174.700 0.135 0.000 1.039 128 T CA 1.297 63.481 62.100 0.139 0.000 1.150 128 T CB -1.144 67.847 68.868 0.206 0.000 0.864 128 T HN 0.189 nan 8.240 nan 0.000 0.427 129 P HA -0.046 nan 4.420 nan 0.000 0.216 129 P C 1.645 178.727 177.300 -0.364 0.000 1.150 129 P CA 0.619 63.484 63.100 -0.392 0.000 0.837 129 P CB -0.208 30.977 31.700 -0.858 0.000 0.786 130 L N -0.964 120.125 121.223 -0.223 0.000 2.191 130 L HA -0.116 4.224 4.340 0.000 0.000 0.212 130 L C 2.064 178.799 176.870 -0.225 0.000 1.103 130 L CA 1.589 56.288 54.840 -0.235 0.000 0.769 130 L CB -1.082 40.914 42.059 -0.105 0.000 0.908 130 L HN -0.125 nan 8.230 nan 0.000 0.438 131 I N -0.345 120.164 120.570 -0.101 0.000 2.208 131 I HA -0.238 3.932 4.170 0.000 0.000 0.245 131 I C 2.517 178.590 176.117 -0.073 0.000 1.097 131 I CA 1.363 62.657 61.300 -0.011 0.000 1.363 131 I CB -1.185 36.871 38.000 0.094 0.000 1.051 131 I HN 0.433 nan 8.210 nan 0.000 0.413 132 G N 0.538 109.217 108.800 -0.201 0.000 2.446 132 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 132 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 132 G C 1.879 176.242 174.900 -0.894 0.000 1.168 132 G CA 0.905 45.797 45.100 -0.347 0.000 0.771 132 G HN 0.498 nan 8.290 nan 0.000 0.551 133 A N 0.659 122.563 122.820 -1.526 0.000 1.908 133 A HA -0.034 4.286 4.320 0.000 0.000 0.218 133 A C 2.438 179.855 177.584 -0.278 0.000 1.181 133 A CA 1.541 53.019 52.037 -0.931 0.000 0.627 133 A CB -0.388 18.252 19.000 -0.601 0.000 0.818 133 A HN 0.405 nan 8.150 nan 0.000 0.445 134 I N 0.220 120.673 120.570 -0.196 0.000 2.163 134 I HA -0.225 3.945 4.170 0.000 0.000 0.240 134 I C 2.466 178.687 176.117 0.173 0.000 1.081 134 I CA 1.715 63.032 61.300 0.028 0.000 1.353 134 I CB -0.362 37.658 38.000 0.033 0.000 1.054 134 I HN 0.570 nan 8.210 nan 0.000 0.407 135 I N -1.109 119.569 120.570 0.179 0.000 2.614 135 I HA -0.033 4.137 4.170 0.000 0.000 0.258 135 I C 2.213 178.594 176.117 0.440 0.000 1.189 135 I CA 1.481 62.979 61.300 0.329 0.000 1.462 135 I CB -0.999 37.249 38.000 0.412 0.000 1.092 135 I HN 0.115 nan 8.210 nan 0.000 0.442 136 G N 0.973 109.950 108.800 0.296 0.000 2.598 136 G HA2 0.167 4.127 3.960 0.000 0.000 0.215 136 G HA3 0.167 4.127 3.960 0.000 0.000 0.215 136 G C 1.363 176.401 174.900 0.230 0.000 1.131 136 G CA 0.496 45.728 45.100 0.220 0.000 0.785 136 G HN 0.861 nan 8.290 nan 0.000 0.539 137 G N -0.590 108.378 108.800 0.281 0.000 2.132 137 G HA2 -0.256 3.704 3.960 0.000 0.000 0.228 137 G HA3 -0.256 3.704 3.960 0.000 0.000 0.228 137 G C 0.218 175.329 174.900 0.352 0.000 1.000 137 G CA 0.078 45.370 45.100 0.320 0.000 0.693 137 G HN 0.524 nan 8.290 nan 0.000 0.515 138 N N 0.073 118.929 118.700 0.260 0.000 2.478 138 N HA 0.613 5.353 4.740 0.000 0.000 0.275 138 N C 0.808 176.443 175.510 0.207 0.000 1.221 138 N CA 0.393 53.541 53.050 0.163 0.000 0.979 138 N CB 1.015 39.568 38.487 0.111 0.000 1.202 138 N HN 0.487 nan 8.380 nan 0.000 0.564 139 T N -2.916 111.704 114.554 0.109 0.000 2.893 139 T HA 0.574 4.924 4.350 0.000 0.000 0.279 139 T C -0.121 174.563 174.700 -0.028 0.000 0.991 139 T CA -0.622 61.516 62.100 0.063 0.000 0.950 139 T CB 1.122 70.104 68.868 0.191 0.000 1.223 139 T HN 0.647 nan 8.240 nan 0.000 0.585 140 C N 0.517 119.778 119.300 -0.065 0.000 3.146 140 C HA 0.615 5.075 4.460 0.000 0.000 0.405 140 C C -1.529 173.509 174.990 0.081 0.000 1.012 140 C CA -0.808 58.219 59.018 0.015 0.000 1.217 140 C CB -0.270 27.402 27.740 -0.113 0.000 1.599 140 C HN 0.944 nan 8.230 nan 0.000 0.567 141 I N 6.108 126.825 120.570 0.245 0.000 2.406 141 I HA 0.524 4.694 4.170 0.000 0.000 0.290 141 I C -0.365 175.938 176.117 0.311 0.000 0.999 141 I CA -0.399 61.079 61.300 0.297 0.000 1.124 141 I CB 1.482 39.755 38.000 0.454 0.000 1.289 141 I HN 0.495 nan 8.210 nan 0.000 0.441 142 I N 6.599 127.295 120.570 0.209 0.000 2.378 142 I HA 0.326 4.496 4.170 0.000 0.000 0.291 142 I C -0.041 176.178 176.117 0.170 0.000 0.992 142 I CA -0.645 60.738 61.300 0.138 0.000 1.154 142 I CB 1.567 39.612 38.000 0.075 0.000 1.315 142 I HN 0.446 nan 8.210 nan 0.000 0.448 143 K N 8.470 128.955 120.400 0.142 0.000 2.414 143 K HA 0.453 4.773 4.320 0.000 0.000 0.251 143 K C -2.623 174.011 176.600 0.056 0.000 1.037 143 K CA -1.643 54.724 56.287 0.134 0.000 0.980 143 K CB 1.233 33.870 32.500 0.229 0.000 1.280 143 K HN 0.182 nan 8.250 nan 0.000 0.451 144 P HA -0.018 nan 4.420 nan 0.000 0.274 144 P C -0.577 176.765 177.300 0.071 0.000 1.260 144 P CA -0.429 62.708 63.100 0.062 0.000 0.793 144 P CB 0.663 32.408 31.700 0.074 0.000 1.048 145 S N -0.115 115.641 115.700 0.094 0.000 2.528 145 S HA 0.025 4.495 4.470 0.000 0.000 0.277 145 S C 1.215 175.887 174.600 0.120 0.000 1.297 145 S CA -0.343 57.929 58.200 0.120 0.000 1.052 145 S CB -0.225 63.085 63.200 0.184 0.000 0.917 145 S HN 0.530 nan 8.310 nan 0.000 0.492 146 E N 2.924 123.191 120.200 0.112 0.000 2.418 146 E HA -0.060 4.291 4.350 0.000 0.000 0.197 146 E C 0.809 177.483 176.600 0.123 0.000 1.026 146 E CA 0.864 57.346 56.400 0.137 0.000 0.862 146 E CB -0.334 29.467 29.700 0.169 0.000 0.799 146 E HN 0.622 nan 8.360 nan 0.000 0.518 147 T N 0.905 115.524 114.554 0.107 0.000 3.148 147 T HA -0.015 4.335 4.350 0.000 0.000 0.253 147 T C 0.495 175.241 174.700 0.077 0.000 1.134 147 T CA 1.139 63.277 62.100 0.064 0.000 1.051 147 T CB 0.066 68.940 68.868 0.009 0.000 0.959 147 T HN 0.328 nan 8.240 nan 0.000 0.525 148 T N -0.474 114.150 114.554 0.117 0.000 3.504 148 T HA 0.350 4.701 4.350 0.000 0.000 0.286 148 T C -2.481 172.279 174.700 0.100 0.000 1.530 148 T CA -1.513 60.657 62.100 0.116 0.000 1.652 148 T CB 1.399 70.361 68.868 0.157 0.000 0.895 148 T HN -0.122 nan 8.240 nan 0.000 0.674 149 P HA -0.116 nan 4.420 nan 0.000 0.215 149 P C 1.603 178.948 177.300 0.075 0.000 1.157 149 P CA 1.104 64.256 63.100 0.086 0.000 0.874 149 P CB 0.295 32.036 31.700 0.068 0.000 0.790 150 E N -0.978 119.260 120.200 0.063 0.000 2.038 150 E HA -0.139 4.212 4.350 0.000 0.000 0.195 150 E C 1.992 178.626 176.600 0.055 0.000 1.000 150 E CA 1.892 58.325 56.400 0.054 0.000 0.803 150 E CB -1.200 28.529 29.700 0.049 0.000 0.750 150 E HN 0.152 nan 8.360 nan 0.000 0.448 151 T N -0.442 114.149 114.554 0.062 0.000 2.857 151 T HA -0.055 4.295 4.350 0.000 0.000 0.266 151 T C 2.023 176.761 174.700 0.063 0.000 1.048 151 T CA 1.107 63.241 62.100 0.057 0.000 1.139 151 T CB -0.271 68.634 68.868 0.062 0.000 0.874 151 T HN 0.036 nan 8.240 nan 0.000 0.455 152 S N 1.538 117.285 115.700 0.078 0.000 2.370 152 S HA -0.113 4.357 4.470 0.000 0.000 0.226 152 S C 2.583 177.230 174.600 0.079 0.000 1.033 152 S CA 1.091 59.342 58.200 0.084 0.000 1.011 152 S CB -0.600 62.661 63.200 0.102 0.000 0.852 152 S HN 0.606 nan 8.310 nan 0.000 0.457 153 A N 1.078 123.944 122.820 0.076 0.000 1.883 153 A HA -0.091 4.230 4.320 0.000 0.000 0.217 153 A C 2.333 179.949 177.584 0.052 0.000 1.186 153 A CA 1.828 53.905 52.037 0.068 0.000 0.624 153 A CB -0.926 18.110 19.000 0.060 0.000 0.822 153 A HN 0.375 nan 8.150 nan 0.000 0.444 154 V N 0.088 120.027 119.914 0.041 0.000 2.427 154 V HA -0.235 3.886 4.120 0.000 0.000 0.248 154 V C 2.373 178.483 176.094 0.027 0.000 1.051 154 V CA 1.787 64.102 62.300 0.024 0.000 1.048 154 V CB -0.797 31.032 31.823 0.009 0.000 0.666 154 V HN 0.557 nan 8.190 nan 0.000 0.456 155 I N 0.376 120.970 120.570 0.040 0.000 2.208 155 I HA -0.285 3.885 4.170 0.000 0.000 0.245 155 I C 2.626 178.778 176.117 0.058 0.000 1.097 155 I CA 2.090 63.419 61.300 0.048 0.000 1.363 155 I CB -0.373 37.662 38.000 0.059 0.000 1.051 155 I HN 0.404 nan 8.210 nan 0.000 0.413 156 E N 1.496 121.735 120.200 0.065 0.000 2.085 156 E HA -0.318 4.033 4.350 0.000 0.000 0.194 156 E C 2.220 178.855 176.600 0.058 0.000 0.994 156 E CA 1.630 58.074 56.400 0.072 0.000 0.801 156 E CB -0.008 29.739 29.700 0.079 0.000 0.743 156 E HN 0.337 nan 8.360 nan 0.000 0.453 157 K N 0.357 120.782 120.400 0.041 0.000 2.026 157 K HA -0.144 4.177 4.320 0.000 0.000 0.208 157 K C 2.156 178.760 176.600 0.008 0.000 1.048 157 K CA 1.582 57.884 56.287 0.024 0.000 0.929 157 K CB -0.146 32.364 32.500 0.016 0.000 0.713 157 K HN 0.173 nan 8.250 nan 0.000 0.439 158 I N 1.178 121.750 120.570 0.004 0.000 2.127 158 I HA -0.310 3.860 4.170 0.000 0.000 0.241 158 I C 2.146 178.249 176.117 -0.023 0.000 1.075 158 I CA 0.838 62.126 61.300 -0.020 0.000 1.334 158 I CB -0.344 37.648 38.000 -0.013 0.000 1.040 158 I HN 0.191 nan 8.210 nan 0.000 0.405 159 I N 1.290 121.886 120.570 0.043 0.000 2.163 159 I HA -0.295 3.875 4.170 0.000 0.000 0.243 159 I C 2.895 179.071 176.117 0.099 0.000 1.085 159 I CA 1.871 63.245 61.300 0.122 0.000 1.347 159 I CB -1.715 36.388 38.000 0.171 0.000 1.044 159 I HN 0.207 nan 8.210 nan 0.000 0.408 160 A N 0.158 123.021 122.820 0.071 0.000 1.940 160 A HA -0.232 4.088 4.320 0.000 0.000 0.219 160 A C 2.298 179.891 177.584 0.014 0.000 1.176 160 A CA 1.750 53.823 52.037 0.061 0.000 0.631 160 A CB -0.646 18.385 19.000 0.051 0.000 0.814 160 A HN 0.502 nan 8.150 nan 0.000 0.446 161 E N -0.664 119.517 120.200 -0.033 0.000 2.051 161 E HA -0.108 4.242 4.350 0.000 0.000 0.192 161 E C 2.307 178.813 176.600 -0.157 0.000 0.991 161 E CA 1.010 57.364 56.400 -0.076 0.000 0.799 161 E CB -0.215 29.436 29.700 -0.083 0.000 0.748 161 E HN 0.623 nan 8.360 nan 0.000 0.449 162 A N 0.270 122.900 122.820 -0.316 0.000 1.970 162 A HA 0.022 4.342 4.320 0.000 0.000 0.216 162 A C 0.393 177.599 177.584 -0.631 0.000 1.170 162 A CA 0.773 52.406 52.037 -0.672 0.000 0.645 162 A CB 0.132 18.380 19.000 -1.254 0.000 0.816 162 A HN 0.092 nan 8.150 nan 0.000 0.447 163 F N -1.493 118.501 119.950 0.072 0.000 2.565 163 F HA 0.662 5.189 4.527 0.000 0.000 0.313 163 F C 0.388 176.243 175.800 0.092 0.000 1.091 163 F CA -1.481 56.595 58.000 0.127 0.000 0.915 163 F CB 1.371 40.476 39.000 0.174 0.000 1.208 163 F HN 0.097 nan 8.300 nan 0.000 0.453 164 A N 3.179 126.174 122.820 0.292 0.000 2.462 164 A HA 0.436 4.756 4.320 0.000 0.000 0.243 164 A C -1.785 175.886 177.584 0.145 0.000 1.076 164 A CA -1.071 51.054 52.037 0.147 0.000 0.773 164 A CB -0.060 18.971 19.000 0.050 0.000 1.010 164 A HN 0.610 nan 8.150 nan 0.000 0.493 165 P HA -0.181 nan 4.420 nan 0.000 0.223 165 P C 1.066 178.398 177.300 0.052 0.000 1.144 165 P CA 1.533 64.683 63.100 0.083 0.000 0.783 165 P CB 0.194 31.936 31.700 0.069 0.000 0.771 166 E N -2.061 118.130 120.200 -0.016 0.000 2.385 166 E HA -0.149 4.201 4.350 0.000 0.000 0.194 166 E C 1.352 177.965 176.600 0.023 0.000 1.013 166 E CA 0.578 56.945 56.400 -0.055 0.000 0.866 166 E CB -0.624 28.959 29.700 -0.195 0.000 0.832 166 E HN 0.255 nan 8.360 nan 0.000 0.500 167 Y N 1.814 122.035 120.300 -0.132 0.000 2.259 167 Y HA 0.249 4.799 4.550 0.001 0.000 0.285 167 Y C 0.592 176.514 175.900 0.038 0.000 1.130 167 Y CA 0.313 58.457 58.100 0.072 0.000 1.144 167 Y CB 0.302 38.832 38.460 0.117 0.000 1.093 167 Y HN -0.210 nan 8.280 nan 0.000 0.507 168 V N 1.519 121.317 119.914 -0.192 0.000 2.588 168 V HA 0.812 4.933 4.120 0.000 0.000 0.304 168 V C -0.826 175.282 176.094 0.022 0.000 1.042 168 V CA -0.473 61.655 62.300 -0.285 0.000 0.877 168 V CB 0.773 32.185 31.823 -0.685 0.000 0.996 168 V HN 0.427 nan 8.190 nan 0.000 0.425 169 A N 3.798 126.649 122.820 0.051 0.000 2.520 169 A HA 0.871 5.192 4.320 0.000 0.000 0.298 169 A C -1.234 176.421 177.584 0.120 0.000 1.051 169 A CA -0.560 51.542 52.037 0.108 0.000 0.690 169 A CB 2.021 21.087 19.000 0.110 0.000 1.281 169 A HN 0.615 nan 8.150 nan 0.000 0.402 170 V N 2.469 122.456 119.914 0.122 0.000 2.481 170 V HA 0.452 4.573 4.120 0.000 0.000 0.286 170 V C -0.321 175.846 176.094 0.121 0.000 1.042 170 V CA -0.130 62.242 62.300 0.119 0.000 0.928 170 V CB 1.306 33.193 31.823 0.106 0.000 0.986 170 V HN 0.667 nan 8.190 nan 0.000 0.462 171 I N 4.765 125.411 120.570 0.127 0.000 2.495 171 I HA 0.301 4.471 4.170 0.000 0.000 0.277 171 I C 0.081 176.233 176.117 0.059 0.000 1.045 171 I CA -0.356 61.008 61.300 0.106 0.000 1.135 171 I CB 1.349 39.422 38.000 0.122 0.000 1.241 171 I HN 0.623 nan 8.210 nan 0.000 0.469 172 Q N 4.139 123.969 119.800 0.050 0.000 2.337 172 Q HA 0.500 4.840 4.340 0.000 0.000 0.270 172 Q C 0.360 176.130 176.000 -0.384 0.000 1.002 172 Q CA 0.046 55.836 55.803 -0.021 0.000 0.888 172 Q CB 1.484 30.310 28.738 0.146 0.000 1.222 172 Q HN 0.835 nan 8.270 nan 0.000 0.400 173 G N 0.287 108.689 108.800 -0.664 0.000 2.506 173 G HA2 0.540 4.501 3.960 0.000 0.000 0.292 173 G HA3 0.540 4.501 3.960 0.000 0.000 0.292 173 G C -1.003 173.520 174.900 -0.629 0.000 1.425 173 G CA -0.267 44.112 45.100 -1.202 0.000 0.788 173 G HN 0.655 nan 8.290 nan 0.000 0.490 174 G N -1.051 107.525 108.800 -0.373 0.000 2.890 174 G HA2 0.494 4.454 3.960 0.000 0.000 0.189 174 G HA3 0.494 4.454 3.960 0.000 0.000 0.189 174 G C 0.885 175.795 174.900 0.016 0.000 1.342 174 G CA -0.288 44.800 45.100 -0.022 0.000 1.026 174 G HN 0.513 nan 8.290 nan 0.000 0.579 175 R N 0.196 120.731 120.500 0.058 0.000 2.096 175 R HA -0.074 4.266 4.340 0.000 0.000 0.240 175 R C 1.881 178.214 176.300 0.056 0.000 1.139 175 R CA 1.620 57.754 56.100 0.057 0.000 0.952 175 R CB -0.880 29.452 30.300 0.054 0.000 0.854 175 R HN 0.473 nan 8.270 nan 0.000 0.436 176 D N 0.849 121.284 120.400 0.059 0.000 2.104 176 D HA -0.132 4.509 4.640 0.000 0.000 0.194 176 D C 1.886 178.228 176.300 0.071 0.000 0.994 176 D CA 1.160 55.196 54.000 0.061 0.000 0.830 176 D CB -0.146 40.690 40.800 0.060 0.000 0.959 176 D HN 0.206 nan 8.370 nan 0.000 0.452 177 E N 0.315 120.541 120.200 0.042 0.000 2.110 177 E HA -0.134 4.216 4.350 0.000 0.000 0.193 177 E C 1.719 178.371 176.600 0.086 0.000 0.988 177 E CA 0.726 57.152 56.400 0.043 0.000 0.804 177 E CB -0.290 29.366 29.700 -0.074 0.000 0.745 177 E HN 0.171 nan 8.360 nan 0.000 0.458 178 N N -0.038 118.711 118.700 0.081 0.000 2.109 178 N HA -0.130 4.610 4.740 0.000 0.000 0.188 178 N C 1.601 177.174 175.510 0.104 0.000 1.034 178 N CA 1.775 54.905 53.050 0.134 0.000 0.846 178 N CB -0.316 38.252 38.487 0.135 0.000 1.010 178 N HN 0.147 nan 8.380 nan 0.000 0.425 179 S N -1.191 114.556 115.700 0.079 0.000 2.400 179 S HA -0.229 4.241 4.470 0.000 0.000 0.232 179 S C 2.018 176.649 174.600 0.052 0.000 1.025 179 S CA 1.479 59.712 58.200 0.054 0.000 0.993 179 S CB -0.805 62.423 63.200 0.046 0.000 0.808 179 S HN 0.609 nan 8.310 nan 0.000 0.478 180 H N 1.629 120.691 119.070 -0.014 0.000 2.326 180 H HA 0.185 4.742 4.556 0.000 0.000 0.301 180 H C 1.861 177.137 175.328 -0.087 0.000 1.081 180 H CA 1.729 57.750 56.048 -0.044 0.000 1.334 180 H CB -0.517 29.221 29.762 -0.041 0.000 1.385 180 H HN 0.351 nan 8.280 nan 0.000 0.504 181 L N -0.074 121.032 121.223 -0.194 0.000 2.079 181 L HA -0.174 4.166 4.340 0.000 0.000 0.210 181 L C 2.434 179.176 176.870 -0.213 0.000 1.081 181 L CA 1.014 55.670 54.840 -0.307 0.000 0.752 181 L CB -0.376 41.413 42.059 -0.451 0.000 0.896 181 L HN 0.336 nan 8.230 nan 0.000 0.433 182 L N -0.487 120.677 121.223 -0.099 0.000 2.353 182 L HA -0.145 4.195 4.340 0.000 0.000 0.220 182 L C 2.455 179.328 176.870 0.005 0.000 1.133 182 L CA 1.196 56.045 54.840 0.016 0.000 0.798 182 L CB -0.392 41.695 42.059 0.047 0.000 0.922 182 L HN 0.415 nan 8.230 nan 0.000 0.445 183 S N -1.222 114.417 115.700 -0.102 0.000 2.575 183 S HA 0.174 4.644 4.470 0.000 0.000 0.215 183 S C 0.659 175.153 174.600 -0.176 0.000 0.966 183 S CA -0.380 57.788 58.200 -0.053 0.000 0.911 183 S CB -0.142 63.002 63.200 -0.093 0.000 0.780 183 S HN 0.195 nan 8.310 nan 0.000 0.514 184 L N 1.280 122.238 121.223 -0.441 0.000 2.399 184 L HA 0.452 4.792 4.340 0.000 0.000 0.265 184 L C -2.352 174.005 176.870 -0.854 0.000 1.089 184 L CA -2.763 51.562 54.840 -0.859 0.000 0.802 184 L CB 0.677 41.821 42.059 -1.525 0.000 1.180 184 L HN -0.100 nan 8.230 nan 0.000 0.454 185 P HA 0.084 nan 4.420 nan 0.000 0.238 185 P C -0.519 176.788 177.300 0.011 0.000 1.714 185 P CA -0.089 62.721 63.100 -0.483 0.000 0.908 185 P CB -0.519 31.056 31.700 -0.208 0.000 1.893 186 F N 1.011 121.006 119.950 0.075 0.000 2.589 186 F HA -0.035 4.493 4.527 0.001 0.000 0.352 186 F C 1.769 177.623 175.800 0.089 0.000 1.168 186 F CA 0.902 59.016 58.000 0.190 0.000 1.353 186 F CB 0.379 39.472 39.000 0.155 0.000 1.116 186 F HN 0.098 nan 8.300 nan 0.000 0.608 187 D N 1.194 121.776 120.400 0.303 0.000 2.350 187 D HA 0.027 4.667 4.640 0.000 0.000 0.213 187 D C -0.404 176.001 176.300 0.176 0.000 1.031 187 D CA 0.920 55.036 54.000 0.193 0.000 0.861 187 D CB 0.306 41.186 40.800 0.133 0.000 0.926 187 D HN 0.244 nan 8.370 nan 0.000 0.520 188 F N 0.546 120.501 119.950 0.008 0.000 2.680 188 F HA 0.313 4.840 4.527 0.000 0.000 0.315 188 F C -2.100 173.665 175.800 -0.059 0.000 1.099 188 F CA -0.877 57.017 58.000 -0.177 0.000 1.033 188 F CB 1.069 39.859 39.000 -0.350 0.000 1.285 188 F HN -0.346 nan 8.300 nan 0.000 0.457 189 I N 6.187 126.235 120.570 -0.870 0.000 2.447 189 I HA 0.349 4.520 4.170 0.000 0.000 0.287 189 I C -1.497 174.161 176.117 -0.766 0.000 1.023 189 I CA -0.705 60.246 61.300 -0.583 0.000 1.083 189 I CB 1.961 39.742 38.000 -0.364 0.000 1.245 189 I HN 0.541 nan 8.210 nan 0.000 0.434 190 F N 7.813 127.481 119.950 -0.470 0.000 2.375 190 F HA 0.523 5.050 4.527 0.000 0.000 0.361 190 F C -1.143 174.542 175.800 -0.191 0.000 1.117 190 F CA -0.679 57.147 58.000 -0.290 0.000 1.037 190 F CB 0.915 39.924 39.000 0.016 0.000 1.192 190 F HN 0.321 nan 8.300 nan 0.000 0.452 191 F N 5.163 124.845 119.950 -0.446 0.000 2.507 191 F HA 0.605 5.133 4.527 0.000 0.000 0.325 191 F C -1.028 174.612 175.800 -0.267 0.000 1.116 191 F CA -0.270 57.560 58.000 -0.283 0.000 0.930 191 F CB 1.685 40.513 39.000 -0.288 0.000 1.146 191 F HN 0.277 nan 8.300 nan 0.000 0.447 192 T N 4.803 118.763 114.554 -0.990 0.000 2.809 192 T HA 0.792 5.142 4.350 0.000 0.000 0.284 192 T C -0.096 173.893 174.700 -1.185 0.000 0.992 192 T CA -0.263 61.386 62.100 -0.752 0.000 0.957 192 T CB 1.136 69.873 68.868 -0.218 0.000 0.942 192 T HN 1.108 nan 8.240 nan 0.000 0.439 193 G N 1.897 110.233 108.800 -0.773 0.000 2.399 193 G HA2 0.464 4.424 3.960 0.000 0.000 0.256 193 G HA3 0.464 4.424 3.960 0.000 0.000 0.256 193 G C -0.823 174.087 174.900 0.017 0.000 1.236 193 G CA -0.384 44.496 45.100 -0.367 0.000 0.914 193 G HN 0.884 nan 8.290 nan 0.000 0.482 194 S N 0.506 116.293 115.700 0.145 0.000 2.610 194 S HA 0.594 5.064 4.470 0.000 0.000 0.273 194 S C -1.545 173.119 174.600 0.107 0.000 1.274 194 S CA -0.576 57.664 58.200 0.065 0.000 1.023 194 S CB 2.217 65.426 63.200 0.015 0.000 0.962 194 S HN 0.273 nan 8.310 nan 0.000 0.523 195 P HA -0.145 nan 4.420 nan 0.000 0.214 195 P C 1.101 178.386 177.300 -0.025 0.000 1.169 195 P CA 1.339 64.442 63.100 0.005 0.000 0.908 195 P CB -0.106 31.590 31.700 -0.007 0.000 0.791 196 N N -0.965 117.722 118.700 -0.021 0.000 2.149 196 N HA -0.104 4.637 4.740 0.000 0.000 0.188 196 N C 1.572 177.038 175.510 -0.072 0.000 1.019 196 N CA 1.021 54.046 53.050 -0.040 0.000 0.857 196 N CB -1.032 37.441 38.487 -0.024 0.000 0.997 196 N HN 0.041 nan 8.380 nan 0.000 0.426 197 V N -0.008 119.869 119.914 -0.060 0.000 2.871 197 V HA 0.017 4.137 4.120 0.000 0.000 0.256 197 V C 2.337 178.170 176.094 -0.434 0.000 1.082 197 V CA 1.440 63.651 62.300 -0.149 0.000 1.105 197 V CB -0.929 30.897 31.823 0.006 0.000 0.713 197 V HN 0.280 nan 8.190 nan 0.000 0.473 198 G N 0.445 109.030 108.800 -0.359 0.000 2.418 198 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 198 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 198 G C 1.638 176.332 174.900 -0.343 0.000 1.158 198 G CA 0.712 45.533 45.100 -0.465 0.000 0.771 198 G HN 0.475 nan 8.290 nan 0.000 0.545 199 K N -0.062 120.207 120.400 -0.218 0.000 2.103 199 K HA -0.025 4.295 4.320 0.000 0.000 0.207 199 K C 2.508 179.000 176.600 -0.180 0.000 1.048 199 K CA 1.009 57.195 56.287 -0.168 0.000 0.930 199 K CB -0.212 32.218 32.500 -0.116 0.000 0.716 199 K HN 0.234 nan 8.250 nan 0.000 0.444 200 V N 0.764 120.554 119.914 -0.206 0.000 2.379 200 V HA -0.186 3.934 4.120 0.000 0.000 0.245 200 V C 2.203 178.168 176.094 -0.215 0.000 1.044 200 V CA 1.308 63.500 62.300 -0.180 0.000 1.036 200 V CB -0.148 31.580 31.823 -0.158 0.000 0.664 200 V HN 0.073 nan 8.190 nan 0.000 0.453 201 V N -0.560 119.147 119.914 -0.345 0.000 2.358 201 V HA -0.319 3.801 4.120 0.000 0.000 0.246 201 V C 2.281 178.226 176.094 -0.248 0.000 1.047 201 V CA 2.524 64.613 62.300 -0.352 0.000 1.035 201 V CB -0.504 30.934 31.823 -0.641 0.000 0.658 201 V HN 0.517 nan 8.190 nan 0.000 0.452 202 M N -0.651 118.800 119.600 -0.247 0.000 2.175 202 M HA -0.198 4.283 4.480 0.000 0.000 0.264 202 M C 2.316 178.533 176.300 -0.138 0.000 1.063 202 M CA 1.682 56.869 55.300 -0.188 0.000 1.119 202 M CB -0.174 32.319 32.600 -0.177 0.000 1.377 202 M HN 0.370 nan 8.290 nan 0.000 0.415 203 Q N -0.126 119.596 119.800 -0.130 0.000 2.119 203 Q HA -0.159 4.181 4.340 0.000 0.000 0.201 203 Q C 1.821 177.767 176.000 -0.091 0.000 0.972 203 Q CA 1.620 57.361 55.803 -0.103 0.000 0.847 203 Q CB -0.078 28.603 28.738 -0.095 0.000 0.903 203 Q HN 0.644 nan 8.270 nan 0.000 0.433 204 A N 0.840 123.610 122.820 -0.085 0.000 1.902 204 A HA -0.088 4.233 4.320 0.000 0.000 0.217 204 A C 2.287 179.862 177.584 -0.014 0.000 1.181 204 A CA 1.624 53.633 52.037 -0.047 0.000 0.623 204 A CB -0.880 18.103 19.000 -0.028 0.000 0.818 204 A HN 0.529 nan 8.150 nan 0.000 0.443 205 A N -0.075 122.723 122.820 -0.036 0.000 1.933 205 A HA 0.143 4.464 4.320 0.000 0.000 0.218 205 A C 2.485 180.056 177.584 -0.021 0.000 1.175 205 A CA 2.055 54.084 52.037 -0.013 0.000 0.628 205 A CB -1.010 17.935 19.000 -0.092 0.000 0.814 205 A HN 1.093 nan 8.150 nan 0.000 0.444 206 A N 0.307 123.088 122.820 -0.065 0.000 1.917 206 A HA -0.226 4.094 4.320 0.000 0.000 0.219 206 A C 2.023 179.550 177.584 -0.095 0.000 1.182 206 A CA 1.905 53.897 52.037 -0.074 0.000 0.633 206 A CB -0.511 18.439 19.000 -0.082 0.000 0.819 206 A HN 0.585 nan 8.150 nan 0.000 0.448 207 K N -1.160 119.146 120.400 -0.156 0.000 2.442 207 K HA -0.093 4.227 4.320 0.000 0.000 0.198 207 K C 0.486 176.816 176.600 -0.450 0.000 1.044 207 K CA 1.116 57.225 56.287 -0.298 0.000 0.948 207 K CB -0.123 32.154 32.500 -0.372 0.000 0.762 207 K HN 0.656 nan 8.250 nan 0.000 0.472 208 H N -0.105 118.950 119.070 -0.025 0.000 2.662 208 H HA 0.225 4.781 4.556 0.000 0.000 0.268 208 H C -0.058 175.268 175.328 -0.003 0.000 1.152 208 H CA -0.204 55.838 56.048 -0.009 0.000 1.072 208 H CB 0.298 30.062 29.762 0.004 0.000 1.660 208 H HN 0.005 nan 8.280 nan 0.000 0.584 209 L N 1.855 123.109 121.223 0.051 0.000 3.739 209 L HA -0.199 4.142 4.340 0.000 0.000 0.442 209 L C -0.450 176.444 176.870 0.040 0.000 1.241 209 L CA 0.600 55.457 54.840 0.029 0.000 0.819 209 L CB -1.851 40.225 42.059 0.028 0.000 1.679 209 L HN 0.204 nan 8.230 nan 0.000 0.889 210 T N 0.486 115.062 114.554 0.036 0.000 2.743 210 T HA 0.470 4.820 4.350 0.000 0.000 0.293 210 T C -1.901 172.744 174.700 -0.092 0.000 0.945 210 T CA -1.119 60.984 62.100 0.006 0.000 1.030 210 T CB 1.311 70.205 68.868 0.043 0.000 0.912 210 T HN 0.037 nan 8.240 nan 0.000 0.483 211 P HA 0.400 nan 4.420 nan 0.000 0.272 211 P C -0.873 176.181 177.300 -0.410 0.000 1.223 211 P CA -0.491 62.513 63.100 -0.161 0.000 0.784 211 P CB 0.646 32.293 31.700 -0.088 0.000 0.923 212 V N 2.323 122.006 119.914 -0.385 0.000 2.841 212 V HA 0.342 4.462 4.120 0.000 0.000 0.310 212 V C -0.711 175.105 176.094 -0.464 0.000 1.090 212 V CA -0.764 61.203 62.300 -0.555 0.000 0.930 212 V CB 2.722 34.331 31.823 -0.357 0.000 1.014 212 V HN 0.185 nan 8.190 nan 0.000 0.425 213 V N 6.571 126.116 119.914 -0.615 0.000 2.495 213 V HA 0.565 4.686 4.120 0.000 0.000 0.298 213 V C -0.595 175.165 176.094 -0.557 0.000 1.031 213 V CA -0.488 61.515 62.300 -0.495 0.000 0.871 213 V CB 1.756 33.272 31.823 -0.512 0.000 0.988 213 V HN 0.638 nan 8.190 nan 0.000 0.432 214 L N 4.941 125.937 121.223 -0.379 0.000 2.342 214 L HA 0.579 4.919 4.340 0.000 0.000 0.276 214 L C -0.234 176.498 176.870 -0.230 0.000 0.997 214 L CA -0.509 54.197 54.840 -0.224 0.000 0.838 214 L CB 1.715 43.704 42.059 -0.116 0.000 1.224 214 L HN 0.493 nan 8.230 nan 0.000 0.416 215 E N 5.374 125.416 120.200 -0.263 0.000 2.046 215 E HA 0.468 4.818 4.350 0.000 0.000 0.279 215 E C -0.394 176.150 176.600 -0.093 0.000 0.989 215 E CA -0.142 56.157 56.400 -0.168 0.000 0.798 215 E CB 1.972 31.625 29.700 -0.078 0.000 1.086 215 E HN 0.531 nan 8.360 nan 0.000 0.399 216 L N 0.392 121.575 121.223 -0.066 0.000 2.755 216 L HA 0.718 5.058 4.340 0.000 0.000 0.243 216 L C 1.057 177.914 176.870 -0.022 0.000 1.579 216 L CA -0.879 53.948 54.840 -0.021 0.000 1.669 216 L CB 0.529 42.587 42.059 -0.003 0.000 2.294 216 L HN 0.467 nan 8.230 nan 0.000 0.588 217 G N -2.149 106.644 108.800 -0.013 0.000 3.247 217 G HA2 0.725 4.685 3.960 0.000 0.000 0.226 217 G HA3 0.725 4.685 3.960 0.000 0.000 0.226 217 G C -0.733 174.179 174.900 0.019 0.000 1.220 217 G CA -0.295 44.808 45.100 0.005 0.000 0.875 217 G HN 0.983 nan 8.290 nan 0.000 0.606 218 G N -1.223 107.603 108.800 0.045 0.000 2.302 218 G HA2 0.308 4.268 3.960 0.000 0.000 0.276 218 G HA3 0.308 4.268 3.960 0.000 0.000 0.276 218 G C -1.600 173.352 174.900 0.086 0.000 1.316 218 G CA -0.664 44.478 45.100 0.069 0.000 0.988 218 G HN 0.629 nan 8.290 nan 0.000 0.479 219 K N 0.040 120.498 120.400 0.096 0.000 2.572 219 K HA 0.517 4.837 4.320 0.000 0.000 0.244 219 K C -0.567 176.126 176.600 0.155 0.000 0.965 219 K CA -0.535 55.831 56.287 0.133 0.000 0.943 219 K CB 1.416 33.949 32.500 0.055 0.000 1.154 219 K HN 0.623 nan 8.250 nan 0.000 0.447 220 C N 4.173 123.501 119.300 0.046 0.000 2.629 220 C HA 0.228 4.688 4.460 0.000 0.000 0.410 220 C C -1.832 173.014 174.990 -0.239 0.000 1.339 220 C CA -1.404 57.563 59.018 -0.085 0.000 1.810 220 C CB -0.909 26.747 27.740 -0.140 0.000 2.549 220 C HN 0.551 nan 8.230 nan 0.000 0.589 221 P HA 0.418 nan 4.420 nan 0.000 0.278 221 P C -0.781 176.430 177.300 -0.148 0.000 1.238 221 P CA -0.365 62.423 63.100 -0.521 0.000 0.794 221 P CB 0.602 32.224 31.700 -0.129 0.000 0.955 222 L N 3.604 124.763 121.223 -0.108 0.000 2.342 222 L HA 0.509 4.849 4.340 0.000 0.000 0.276 222 L C -0.976 175.989 176.870 0.159 0.000 0.997 222 L CA -0.577 54.343 54.840 0.133 0.000 0.838 222 L CB 0.293 42.393 42.059 0.068 0.000 1.224 222 L HN 0.241 nan 8.230 nan 0.000 0.416 223 I N 5.501 126.224 120.570 0.254 0.000 2.339 223 I HA 0.329 4.499 4.170 0.000 0.000 0.290 223 I C -0.569 175.730 176.117 0.303 0.000 0.994 223 I CA -0.766 60.703 61.300 0.282 0.000 1.191 223 I CB 1.822 39.943 38.000 0.201 0.000 1.343 223 I HN 0.218 nan 8.210 nan 0.000 0.458 224 V N 7.468 127.562 119.914 0.300 0.000 2.334 224 V HA 0.342 4.462 4.120 0.000 0.000 0.281 224 V C 0.372 176.599 176.094 0.221 0.000 1.016 224 V CA -0.576 61.859 62.300 0.224 0.000 0.832 224 V CB 1.259 33.143 31.823 0.102 0.000 0.999 224 V HN 0.521 nan 8.190 nan 0.000 0.439 225 L N 6.605 127.947 121.223 0.199 0.000 2.464 225 L HA 0.205 4.545 4.340 0.000 0.000 0.264 225 L C -1.015 175.845 176.870 -0.016 0.000 1.199 225 L CA -1.323 53.587 54.840 0.116 0.000 0.818 225 L CB 0.567 42.677 42.059 0.085 0.000 1.102 225 L HN 0.380 nan 8.230 nan 0.000 0.473 226 P HA -0.196 nan 4.420 nan 0.000 0.217 226 P C 0.509 177.743 177.300 -0.110 0.000 1.151 226 P CA 1.334 64.287 63.100 -0.245 0.000 0.849 226 P CB 0.006 31.443 31.700 -0.437 0.000 0.787 227 D N -1.596 118.763 120.400 -0.069 0.000 2.342 227 D HA 0.152 4.793 4.640 0.000 0.000 0.221 227 D C 0.353 176.656 176.300 0.005 0.000 1.101 227 D CA -0.400 53.580 54.000 -0.033 0.000 0.837 227 D CB -0.764 40.018 40.800 -0.030 0.000 0.938 227 D HN 0.008 nan 8.370 nan 0.000 0.508 228 A N 0.571 123.408 122.820 0.028 0.000 2.483 228 A HA 0.161 4.481 4.320 0.000 0.000 0.238 228 A C 0.272 177.896 177.584 0.066 0.000 1.070 228 A CA -0.284 51.801 52.037 0.079 0.000 0.770 228 A CB 0.227 19.306 19.000 0.132 0.000 1.008 228 A HN 0.173 nan 8.150 nan 0.000 0.497 229 D N 2.189 122.644 120.400 0.091 0.000 2.344 229 D HA 0.173 4.813 4.640 0.000 0.000 0.253 229 D C 0.982 177.329 176.300 0.078 0.000 1.255 229 D CA -0.006 54.038 54.000 0.074 0.000 0.894 229 D CB 0.254 41.100 40.800 0.076 0.000 1.067 229 D HN 0.438 nan 8.370 nan 0.000 0.492 230 L N 2.833 124.080 121.223 0.041 0.000 2.141 230 L HA -0.114 4.227 4.340 0.000 0.000 0.209 230 L C 1.598 178.478 176.870 0.016 0.000 1.094 230 L CA 0.625 55.477 54.840 0.020 0.000 0.763 230 L CB -0.159 41.903 42.059 0.005 0.000 0.908 230 L HN 0.341 nan 8.230 nan 0.000 0.437 231 D N 0.006 120.422 120.400 0.028 0.000 2.084 231 D HA -0.232 4.408 4.640 0.000 0.000 0.196 231 D C 2.077 178.404 176.300 0.044 0.000 0.985 231 D CA 1.101 55.118 54.000 0.028 0.000 0.826 231 D CB -0.210 40.606 40.800 0.027 0.000 0.978 231 D HN 0.347 nan 8.370 nan 0.000 0.456 232 Q N 0.422 120.266 119.800 0.075 0.000 2.077 232 Q HA -0.174 4.166 4.340 0.000 0.000 0.206 232 Q C 1.901 177.983 176.000 0.137 0.000 0.989 232 Q CA 2.149 58.030 55.803 0.130 0.000 0.853 232 Q CB -0.056 28.787 28.738 0.175 0.000 0.907 232 Q HN 0.173 nan 8.270 nan 0.000 0.418 233 T N 0.221 114.812 114.554 0.062 0.000 2.652 233 T HA -0.141 4.209 4.350 0.000 0.000 0.267 233 T C 1.872 176.444 174.700 -0.214 0.000 1.039 233 T CA 1.564 63.518 62.100 -0.244 0.000 1.153 233 T CB -0.359 68.381 68.868 -0.213 0.000 0.863 233 T HN 0.131 nan 8.240 nan 0.000 0.428 234 V N 2.358 122.226 119.914 -0.076 0.000 2.343 234 V HA -0.181 3.939 4.120 0.000 0.000 0.247 234 V C 2.584 178.687 176.094 0.014 0.000 1.051 234 V CA 1.385 63.667 62.300 -0.029 0.000 1.036 234 V CB -0.628 31.196 31.823 0.002 0.000 0.654 234 V HN 0.479 nan 8.190 nan 0.000 0.451 235 N N -0.004 118.716 118.700 0.033 0.000 2.061 235 N HA -0.212 4.529 4.740 0.000 0.000 0.193 235 N C 1.921 177.501 175.510 0.117 0.000 1.030 235 N CA 1.596 54.689 53.050 0.072 0.000 0.856 235 N CB -0.187 38.341 38.487 0.068 0.000 1.023 235 N HN 0.476 nan 8.380 nan 0.000 0.424 236 Q N 0.538 120.398 119.800 0.099 0.000 2.172 236 Q HA 0.038 4.378 4.340 0.000 0.000 0.200 236 Q C 2.440 178.470 176.000 0.050 0.000 0.964 236 Q CA 0.401 56.298 55.803 0.157 0.000 0.855 236 Q CB -0.345 28.534 28.738 0.235 0.000 0.918 236 Q HN 0.416 nan 8.270 nan 0.000 0.444 237 L N -0.063 121.121 121.223 -0.065 0.000 2.017 237 L HA -0.196 4.144 4.340 0.000 0.000 0.208 237 L C 2.475 179.370 176.870 0.041 0.000 1.073 237 L CA 0.995 55.788 54.840 -0.078 0.000 0.745 237 L CB -0.440 41.567 42.059 -0.086 0.000 0.894 237 L HN 0.212 nan 8.230 nan 0.000 0.432 238 M N -1.239 118.466 119.600 0.174 0.000 2.082 238 M HA -0.270 4.210 4.480 0.000 0.000 0.258 238 M C 2.387 178.879 176.300 0.320 0.000 1.069 238 M CA 1.954 57.447 55.300 0.322 0.000 1.102 238 M CB -1.132 31.596 32.600 0.214 0.000 1.336 238 M HN 0.235 nan 8.290 nan 0.000 0.404 239 F N 0.804 120.807 119.950 0.089 0.000 2.039 239 F HA -0.002 4.525 4.527 0.000 0.000 0.294 239 F C 2.318 178.147 175.800 0.048 0.000 1.130 239 F CA 1.853 59.896 58.000 0.071 0.000 1.189 239 F CB -1.238 37.793 39.000 0.050 0.000 0.983 239 F HN 0.141 nan 8.300 nan 0.000 0.471 240 G N -0.081 108.528 108.800 -0.318 0.000 2.421 240 G HA2 -0.298 3.663 3.960 0.000 0.000 0.216 240 G HA3 -0.298 3.663 3.960 0.000 0.000 0.216 240 G C 1.658 176.358 174.900 -0.332 0.000 1.171 240 G CA 1.076 45.895 45.100 -0.468 0.000 0.775 240 G HN 0.314 nan 8.290 nan 0.000 0.543 241 K N 0.200 120.395 120.400 -0.342 0.000 2.062 241 K HA 0.114 4.434 4.320 0.000 0.000 0.205 241 K C 1.818 178.080 176.600 -0.562 0.000 1.051 241 K CA 0.859 56.813 56.287 -0.555 0.000 0.941 241 K CB -0.476 31.469 32.500 -0.925 0.000 0.719 241 K HN 0.324 nan 8.250 nan 0.000 0.440 242 F N 0.035 119.955 119.950 -0.050 0.000 2.717 242 F HA 0.321 4.848 4.527 0.001 0.000 0.295 242 F C 0.952 176.738 175.800 -0.024 0.000 1.117 242 F CA -0.685 57.300 58.000 -0.025 0.000 1.361 242 F CB -0.180 38.820 39.000 0.000 0.000 1.112 242 F HN -0.126 nan 8.300 nan 0.000 0.594 243 I N 1.595 122.214 120.570 0.082 0.000 2.775 243 I HA -0.148 4.022 4.170 0.000 0.000 0.290 243 I C 0.965 177.096 176.117 0.023 0.000 1.203 243 I CA 0.360 61.697 61.300 0.062 0.000 1.433 243 I CB 0.206 38.213 38.000 0.012 0.000 1.354 243 I HN 0.307 nan 8.210 nan 0.000 0.579 244 N N 4.626 123.338 118.700 0.020 0.000 2.721 244 N HA -0.259 4.481 4.740 0.000 0.000 0.249 244 N C 0.262 175.761 175.510 -0.020 0.000 1.072 244 N CA 1.319 54.347 53.050 -0.036 0.000 0.710 244 N CB -0.995 37.408 38.487 -0.140 0.000 0.993 244 N HN 0.778 nan 8.380 nan 0.000 0.547 245 S N -2.828 112.893 115.700 0.035 0.000 3.521 245 S HA -0.151 4.319 4.470 0.000 0.000 0.328 245 S C 1.319 175.918 174.600 -0.003 0.000 1.165 245 S CA 1.589 59.824 58.200 0.058 0.000 0.941 245 S CB -1.873 61.363 63.200 0.059 0.000 0.951 245 S HN 1.841 nan 8.310 nan 0.000 0.539 246 G N 0.150 108.906 108.800 -0.073 0.000 2.162 246 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 246 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 246 G C -0.091 174.580 174.900 -0.382 0.000 0.976 246 G CA 0.525 45.514 45.100 -0.184 0.000 0.655 246 G HN 0.702 nan 8.290 nan 0.000 0.533 247 Q N 1.183 120.715 119.800 -0.447 0.000 3.170 247 Q HA 0.393 4.733 4.340 0.000 0.000 0.346 247 Q C 0.351 175.852 176.000 -0.831 0.000 1.333 247 Q CA 0.381 55.566 55.803 -1.029 0.000 0.958 247 Q CB 0.227 28.780 28.738 -0.308 0.000 1.600 247 Q HN 0.429 nan 8.270 nan 0.000 0.482 251 A N 2.462 125.335 122.820 0.089 0.000 2.445 251 A HA 0.626 4.947 4.320 0.000 0.000 0.242 251 A C -2.400 175.259 177.584 0.125 0.000 1.075 251 A CA -0.802 51.251 52.037 0.028 0.000 0.777 251 A CB -0.540 18.407 19.000 -0.088 0.000 1.013 251 A HN 0.205 nan 8.150 nan 0.000 0.493 252 P HA 0.026 nan 4.420 nan 0.000 0.265 252 P C 0.184 177.470 177.300 -0.023 0.000 1.222 252 P CA 0.148 63.296 63.100 0.080 0.000 0.767 252 P CB 0.603 32.299 31.700 -0.007 0.000 0.801 253 D N 2.999 123.400 120.400 0.001 0.000 2.194 253 D HA -0.094 4.547 4.640 0.000 0.000 0.204 253 D C -0.058 176.317 176.300 0.125 0.000 0.964 253 D CA 1.081 55.123 54.000 0.070 0.000 0.846 253 D CB 0.362 41.261 40.800 0.165 0.000 0.962 253 D HN 0.435 nan 8.370 nan 0.000 0.490 254 Y N -1.286 119.003 120.300 -0.018 0.000 2.609 254 Y HA 0.526 5.076 4.550 0.000 0.000 0.336 254 Y C -1.619 174.287 175.900 0.010 0.000 1.129 254 Y CA -1.637 56.439 58.100 -0.040 0.000 1.040 254 Y CB 0.790 39.193 38.460 -0.094 0.000 1.310 254 Y HN -0.215 nan 8.280 nan 0.000 0.460 255 L N 3.233 124.517 121.223 0.102 0.000 2.295 255 L HA 0.524 4.864 4.340 0.000 0.000 0.285 255 L C -1.824 175.200 176.870 0.256 0.000 1.035 255 L CA -0.790 54.101 54.840 0.086 0.000 0.806 255 L CB 0.964 43.053 42.059 0.050 0.000 1.214 255 L HN 0.722 nan 8.230 nan 0.000 0.426 256 Y N 5.851 126.231 120.300 0.134 0.000 2.526 256 Y HA 0.560 5.110 4.550 0.000 0.000 0.328 256 Y C -1.205 174.912 175.900 0.361 0.000 0.995 256 Y CA -1.079 57.189 58.100 0.280 0.000 1.304 256 Y CB 1.378 40.062 38.460 0.372 0.000 1.096 256 Y HN 0.448 nan 8.280 nan 0.000 0.499 257 V N 5.894 125.987 119.914 0.298 0.000 2.715 257 V HA 0.421 4.541 4.120 0.000 0.000 0.310 257 V C -0.404 175.384 176.094 -0.510 0.000 1.054 257 V CA -0.657 61.645 62.300 0.003 0.000 0.928 257 V CB 1.533 33.361 31.823 0.009 0.000 1.007 257 V HN 0.777 nan 8.190 nan 0.000 0.437 258 H N 4.769 123.276 119.070 -0.938 0.000 2.928 258 H HA 0.015 4.571 4.556 0.000 0.000 0.338 258 H C 0.684 175.694 175.328 -0.530 0.000 1.047 258 H CA 1.329 56.701 56.048 -1.126 0.000 1.435 258 H CB 0.909 30.231 29.762 -0.733 0.000 1.428 258 H HN 0.913 nan 8.280 nan 0.000 0.590 259 Y N 2.629 122.454 120.300 -0.791 0.000 2.274 259 Y HA -0.204 4.346 4.550 0.000 0.000 0.290 259 Y C 2.287 178.068 175.900 -0.198 0.000 1.145 259 Y CA 0.978 58.842 58.100 -0.394 0.000 1.203 259 Y CB -0.571 37.674 38.460 -0.358 0.000 0.984 259 Y HN 0.440 nan 8.280 nan 0.000 0.533 260 S N -0.863 114.245 115.700 -0.986 0.000 2.603 260 S HA 0.015 4.485 4.470 0.000 0.000 0.229 260 S C 1.202 175.693 174.600 -0.182 0.000 0.972 260 S CA 0.749 58.628 58.200 -0.536 0.000 0.935 260 S CB -0.248 62.662 63.200 -0.484 0.000 0.769 260 S HN 0.326 nan 8.310 nan 0.000 0.536 261 V N -0.005 119.830 119.914 -0.132 0.000 3.392 261 V HA 0.303 4.423 4.120 0.000 0.000 0.294 261 V C 1.822 177.883 176.094 -0.054 0.000 1.561 261 V CA -0.062 62.194 62.300 -0.074 0.000 1.056 261 V CB 0.446 32.231 31.823 -0.063 0.000 0.882 261 V HN 0.397 nan 8.190 nan 0.000 0.440 262 K N 0.626 120.990 120.400 -0.061 0.000 2.026 262 K HA -0.215 4.105 4.320 0.000 0.000 0.208 262 K C 1.561 178.152 176.600 -0.015 0.000 1.048 262 K CA 2.217 58.484 56.287 -0.033 0.000 0.929 262 K CB 0.052 32.536 32.500 -0.026 0.000 0.713 262 K HN 0.393 nan 8.250 nan 0.000 0.439 263 D N 0.289 120.682 120.400 -0.011 0.000 2.097 263 D HA -0.137 4.503 4.640 0.000 0.000 0.195 263 D C 1.755 178.052 176.300 -0.006 0.000 0.989 263 D CA 1.503 55.501 54.000 -0.004 0.000 0.827 263 D CB -0.245 40.556 40.800 0.001 0.000 0.966 263 D HN 0.354 nan 8.370 nan 0.000 0.456 264 A N 0.344 123.157 122.820 -0.011 0.000 1.908 264 A HA -0.152 4.168 4.320 0.000 0.000 0.218 264 A C 2.123 179.702 177.584 -0.008 0.000 1.181 264 A CA 1.181 53.212 52.037 -0.010 0.000 0.627 264 A CB -0.781 18.211 19.000 -0.014 0.000 0.818 264 A HN 0.269 nan 8.150 nan 0.000 0.445 265 L N -0.315 120.901 121.223 -0.012 0.000 2.056 265 L HA -0.050 4.290 4.340 0.000 0.000 0.207 265 L C 2.261 179.129 176.870 -0.003 0.000 1.078 265 L CA 1.614 56.447 54.840 -0.011 0.000 0.749 265 L CB -0.465 41.583 42.059 -0.018 0.000 0.901 265 L HN 0.398 nan 8.230 nan 0.000 0.433 266 L N -0.908 120.315 121.223 0.000 0.000 2.141 266 L HA -0.169 4.171 4.340 0.000 0.000 0.209 266 L C 2.487 179.361 176.870 0.007 0.000 1.094 266 L CA 0.959 55.804 54.840 0.008 0.000 0.763 266 L CB -0.446 41.618 42.059 0.009 0.000 0.908 266 L HN 0.304 nan 8.230 nan 0.000 0.437 267 E N 0.532 120.734 120.200 0.003 0.000 2.038 267 E HA -0.210 4.140 4.350 0.000 0.000 0.195 267 E C 2.327 178.928 176.600 0.002 0.000 1.000 267 E CA 1.415 57.816 56.400 0.002 0.000 0.803 267 E CB 0.036 29.736 29.700 0.000 0.000 0.750 267 E HN 0.197 nan 8.360 nan 0.000 0.448 268 R N -0.477 120.025 120.500 0.002 0.000 2.096 268 R HA -0.118 4.223 4.340 0.000 0.000 0.235 268 R C 2.335 178.640 176.300 0.008 0.000 1.127 268 R CA 1.080 57.182 56.100 0.004 0.000 0.968 268 R CB -0.337 29.965 30.300 0.003 0.000 0.861 268 R HN 0.192 nan 8.270 nan 0.000 0.440 269 L N 0.527 121.758 121.223 0.013 0.000 1.988 269 L HA -0.123 4.218 4.340 0.000 0.000 0.207 269 L C 2.273 179.158 176.870 0.025 0.000 1.071 269 L CA 1.615 56.473 54.840 0.030 0.000 0.744 269 L CB -0.669 41.415 42.059 0.042 0.000 0.893 269 L HN 0.043 nan 8.230 nan 0.000 0.433 270 V N -1.098 118.826 119.914 0.018 0.000 2.490 270 V HA -0.268 3.852 4.120 0.000 0.000 0.250 270 V C 2.328 178.415 176.094 -0.013 0.000 1.061 270 V CA 2.166 64.469 62.300 0.004 0.000 1.064 270 V CB -0.795 31.032 31.823 0.007 0.000 0.670 270 V HN 0.758 nan 8.190 nan 0.000 0.461 271 E N 0.453 120.649 120.200 -0.008 0.000 2.077 271 E HA -0.315 4.035 4.350 0.000 0.000 0.193 271 E C 2.401 178.989 176.600 -0.020 0.000 0.989 271 E CA 1.659 58.051 56.400 -0.013 0.000 0.800 271 E CB -0.247 29.448 29.700 -0.007 0.000 0.746 271 E HN 0.628 nan 8.360 nan 0.000 0.452 272 R N -0.110 120.382 120.500 -0.014 0.000 2.092 272 R HA -0.073 4.267 4.340 0.000 0.000 0.231 272 R C 2.247 178.516 176.300 -0.051 0.000 1.119 272 R CA 1.111 57.200 56.100 -0.019 0.000 0.970 272 R CB -0.143 30.159 30.300 0.003 0.000 0.864 272 R HN 0.098 nan 8.270 nan 0.000 0.440 273 V N 0.953 120.823 119.914 -0.074 0.000 2.295 273 V HA -0.267 3.854 4.120 0.000 0.000 0.246 273 V C 2.095 178.109 176.094 -0.133 0.000 1.049 273 V CA 1.943 64.144 62.300 -0.164 0.000 1.024 273 V CB -0.419 31.289 31.823 -0.192 0.000 0.648 273 V HN 0.344 nan 8.190 nan 0.000 0.447 274 K N 0.249 120.600 120.400 -0.082 0.000 2.044 274 K HA -0.220 4.100 4.320 0.000 0.000 0.210 274 K C 2.296 178.863 176.600 -0.056 0.000 1.049 274 K CA 2.165 58.415 56.287 -0.062 0.000 0.927 274 K CB -0.478 31.998 32.500 -0.040 0.000 0.713 274 K HN 0.729 nan 8.250 nan 0.000 0.443 275 T N -1.737 112.788 114.554 -0.048 0.000 2.978 275 T HA -0.008 4.342 4.350 0.000 0.000 0.262 275 T C 1.587 176.261 174.700 -0.043 0.000 1.063 275 T CA 0.741 62.818 62.100 -0.038 0.000 1.140 275 T CB 0.087 68.939 68.868 -0.026 0.000 0.886 275 T HN 0.197 nan 8.240 nan 0.000 0.470 276 E N 0.357 120.524 120.200 -0.055 0.000 2.452 276 E HA 0.298 4.648 4.350 0.000 0.000 0.197 276 E C 0.170 176.725 176.600 -0.074 0.000 1.022 276 E CA 0.132 56.501 56.400 -0.052 0.000 0.890 276 E CB 0.422 30.099 29.700 -0.038 0.000 0.918 276 E HN 0.471 nan 8.360 nan 0.000 0.496 277 L N 1.196 122.353 121.223 -0.110 0.000 2.625 277 L HA 0.242 4.582 4.340 0.000 0.000 0.255 277 L C -2.137 174.666 176.870 -0.111 0.000 1.493 277 L CA -1.035 53.724 54.840 -0.134 0.000 0.796 277 L CB 1.098 43.006 42.059 -0.252 0.000 1.064 277 L HN -0.068 nan 8.230 nan 0.000 0.516 278 P HA -0.010 nan 4.420 nan 0.000 0.216 278 P C 0.375 177.647 177.300 -0.045 0.000 1.156 278 P CA 0.663 63.729 63.100 -0.055 0.000 0.855 278 P CB 0.443 32.118 31.700 -0.041 0.000 0.786 279 E N -0.493 119.683 120.200 -0.038 0.000 2.404 279 E HA 0.055 4.405 4.350 0.000 0.000 0.261 279 E C 0.963 177.547 176.600 -0.027 0.000 1.074 279 E CA -0.213 56.171 56.400 -0.027 0.000 0.917 279 E CB 0.615 30.303 29.700 -0.020 0.000 0.965 279 E HN 0.037 nan 8.360 nan 0.000 0.433 280 I N 2.308 122.868 120.570 -0.017 0.000 2.676 280 I HA -0.186 3.984 4.170 0.000 0.000 0.259 280 I C 0.929 177.043 176.117 -0.005 0.000 1.194 280 I CA 0.856 62.149 61.300 -0.012 0.000 1.473 280 I CB 0.137 38.134 38.000 -0.005 0.000 1.096 280 I HN 0.435 nan 8.210 nan 0.000 0.443 281 N N -0.982 117.715 118.700 -0.004 0.000 2.338 281 N HA 0.081 4.822 4.740 0.000 0.000 0.251 281 N C 0.831 176.342 175.510 0.001 0.000 1.199 281 N CA -0.123 52.929 53.050 0.004 0.000 0.879 281 N CB 0.208 38.699 38.487 0.007 0.000 1.159 281 N HN -0.072 nan 8.380 nan 0.000 0.514 282 S N 0.108 115.801 115.700 -0.012 0.000 2.368 282 S HA -0.147 4.324 4.470 0.000 0.000 0.225 282 S C 1.731 176.331 174.600 -0.001 0.000 1.030 282 S CA 1.985 60.174 58.200 -0.018 0.000 0.999 282 S CB -0.396 62.776 63.200 -0.046 0.000 0.844 282 S HN 0.778 nan 8.310 nan 0.000 0.459 283 T N -1.137 113.423 114.554 0.010 0.000 3.118 283 T HA 0.448 4.798 4.350 0.000 0.000 0.260 283 T C 1.014 175.744 174.700 0.049 0.000 1.139 283 T CA 0.841 62.971 62.100 0.050 0.000 1.085 283 T CB -0.219 68.710 68.868 0.102 0.000 0.934 283 T HN 0.615 nan 8.240 nan 0.000 0.518 284 G N 0.828 109.648 108.800 0.033 0.000 2.378 284 G HA2 0.001 3.961 3.960 0.000 0.000 0.198 284 G HA3 0.001 3.961 3.960 0.000 0.000 0.198 284 G C -1.540 173.380 174.900 0.033 0.000 1.223 284 G CA -0.799 44.319 45.100 0.030 0.000 1.088 284 G HN 0.538 nan 8.290 nan 0.000 0.530 285 K N 0.018 120.440 120.400 0.037 0.000 2.244 285 K HA 0.626 4.947 4.320 0.000 0.000 0.260 285 K C 0.047 176.678 176.600 0.052 0.000 0.951 285 K CA -0.678 55.632 56.287 0.038 0.000 0.826 285 K CB 2.161 34.680 32.500 0.032 0.000 1.108 285 K HN 0.433 nan 8.250 nan 0.000 0.433 286 L N 2.493 123.744 121.223 0.046 0.000 2.456 286 L HA -0.026 4.315 4.340 0.000 0.000 0.272 286 L C 1.723 178.594 176.870 0.001 0.000 1.189 286 L CA 0.081 54.949 54.840 0.047 0.000 0.846 286 L CB 0.800 42.883 42.059 0.040 0.000 1.111 286 L HN 0.552 nan 8.230 nan 0.000 0.475 287 V N 1.710 121.582 119.914 -0.069 0.000 2.515 287 V HA -0.093 4.027 4.120 0.000 0.000 0.250 287 V C 1.003 177.003 176.094 -0.156 0.000 1.058 287 V CA 1.984 64.173 62.300 -0.186 0.000 1.064 287 V CB -0.054 31.341 31.823 -0.714 0.000 0.675 287 V HN 1.003 nan 8.190 nan 0.000 0.461 288 T N -4.583 109.890 114.554 -0.136 0.000 2.883 288 T HA 0.382 4.733 4.350 0.000 0.000 0.301 288 T C 0.490 175.166 174.700 -0.041 0.000 1.158 288 T CA -0.264 61.787 62.100 -0.080 0.000 1.007 288 T CB 1.694 70.507 68.868 -0.091 0.000 1.186 288 T HN 0.249 nan 8.240 nan 0.000 0.499 289 E N 0.313 120.500 120.200 -0.023 0.000 2.118 289 E HA -0.168 4.182 4.350 0.000 0.000 0.195 289 E C 2.178 178.774 176.600 -0.006 0.000 0.992 289 E CA 1.125 57.520 56.400 -0.009 0.000 0.804 289 E CB -0.070 29.628 29.700 -0.004 0.000 0.741 289 E HN 0.533 nan 8.360 nan 0.000 0.458 290 R N 0.511 121.003 120.500 -0.012 0.000 2.091 290 R HA -0.151 4.189 4.340 0.000 0.000 0.238 290 R C 2.419 178.719 176.300 -0.000 0.000 1.136 290 R CA 1.065 57.161 56.100 -0.006 0.000 0.959 290 R CB -0.144 30.150 30.300 -0.010 0.000 0.856 290 R HN 0.147 nan 8.270 nan 0.000 0.437 291 Q N 0.310 120.104 119.800 -0.010 0.000 2.096 291 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 291 Q C 2.319 178.337 176.000 0.031 0.000 0.982 291 Q CA 1.370 57.181 55.803 0.012 0.000 0.850 291 Q CB -0.445 28.291 28.738 -0.004 0.000 0.901 291 Q HN 0.224 nan 8.270 nan 0.000 0.422 292 V N 1.327 121.253 119.914 0.021 0.000 2.261 292 V HA -0.302 3.818 4.120 0.000 0.000 0.246 292 V C 2.394 178.504 176.094 0.026 0.000 1.047 292 V CA 2.042 64.359 62.300 0.028 0.000 1.015 292 V CB -0.765 31.071 31.823 0.021 0.000 0.642 292 V HN 0.399 nan 8.190 nan 0.000 0.446 293 Q N -0.144 119.667 119.800 0.019 0.000 2.133 293 Q HA -0.298 4.042 4.340 0.000 0.000 0.208 293 Q C 2.468 178.481 176.000 0.022 0.000 0.991 293 Q CA 2.254 58.067 55.803 0.017 0.000 0.867 293 Q CB -0.423 28.323 28.738 0.012 0.000 0.911 293 Q HN 0.590 nan 8.270 nan 0.000 0.417 294 R N 0.851 121.366 120.500 0.026 0.000 2.081 294 R HA -0.147 4.193 4.340 0.000 0.000 0.235 294 R C 2.123 178.447 176.300 0.039 0.000 1.131 294 R CA 1.163 57.282 56.100 0.032 0.000 0.960 294 R CB -0.208 30.114 30.300 0.036 0.000 0.856 294 R HN 0.257 nan 8.270 nan 0.000 0.436 295 L N 0.352 121.603 121.223 0.046 0.000 2.056 295 L HA -0.143 4.198 4.340 0.000 0.000 0.207 295 L C 2.503 179.398 176.870 0.040 0.000 1.078 295 L CA 0.835 55.706 54.840 0.052 0.000 0.749 295 L CB -0.285 41.812 42.059 0.062 0.000 0.901 295 L HN 0.075 nan 8.230 nan 0.000 0.433 296 V N -0.808 119.126 119.914 0.033 0.000 2.261 296 V HA -0.302 3.818 4.120 0.000 0.000 0.246 296 V C 2.580 178.687 176.094 0.023 0.000 1.047 296 V CA 2.098 64.414 62.300 0.026 0.000 1.015 296 V CB -0.470 31.366 31.823 0.022 0.000 0.642 296 V HN 0.397 nan 8.190 nan 0.000 0.446 297 S N 0.050 115.763 115.700 0.022 0.000 2.380 297 S HA -0.228 4.242 4.470 0.000 0.000 0.229 297 S C 1.898 176.509 174.600 0.019 0.000 1.043 297 S CA 1.793 60.004 58.200 0.019 0.000 1.038 297 S CB -0.484 62.727 63.200 0.019 0.000 0.872 297 S HN 0.461 nan 8.310 nan 0.000 0.456 298 L N 0.676 121.914 121.223 0.024 0.000 2.083 298 L HA -0.107 4.234 4.340 0.000 0.000 0.209 298 L C 2.207 179.088 176.870 0.019 0.000 1.083 298 L CA 1.049 55.903 54.840 0.023 0.000 0.752 298 L CB -0.450 41.628 42.059 0.030 0.000 0.899 298 L HN 0.296 nan 8.230 nan 0.000 0.433 299 L N -0.859 120.377 121.223 0.021 0.000 2.156 299 L HA -0.159 4.181 4.340 0.000 0.000 0.208 299 L C 2.440 179.318 176.870 0.013 0.000 1.095 299 L CA 1.004 55.855 54.840 0.018 0.000 0.770 299 L CB -0.404 41.669 42.059 0.023 0.000 0.914 299 L HN 0.264 nan 8.230 nan 0.000 0.439 300 E N 0.219 120.427 120.200 0.013 0.000 2.153 300 E HA -0.182 4.168 4.350 0.000 0.000 0.194 300 E C 2.104 178.709 176.600 0.008 0.000 0.988 300 E CA 1.108 57.514 56.400 0.010 0.000 0.811 300 E CB -0.089 29.618 29.700 0.010 0.000 0.746 300 E HN 0.504 nan 8.360 nan 0.000 0.466 301 A N 1.040 123.865 122.820 0.009 0.000 2.147 301 A HA 0.009 4.329 4.320 0.000 0.000 0.211 301 A C 1.447 179.033 177.584 0.003 0.000 1.160 301 A CA 0.209 52.250 52.037 0.007 0.000 0.781 301 A CB 0.058 19.063 19.000 0.009 0.000 0.842 301 A HN 0.163 nan 8.150 nan 0.000 0.475 302 T N -0.434 114.121 114.554 0.002 0.000 2.932 302 T HA 0.125 4.476 4.350 0.000 0.000 0.312 302 T C 0.845 175.541 174.700 -0.007 0.000 1.071 302 T CA 0.071 62.168 62.100 -0.004 0.000 1.128 302 T CB 0.465 69.330 68.868 -0.005 0.000 0.984 302 T HN 0.343 nan 8.240 nan 0.000 0.549 303 Q N 2.426 122.218 119.800 -0.013 0.000 2.384 303 Q HA 0.227 4.568 4.340 0.000 0.000 0.207 303 Q C 1.205 177.195 176.000 -0.017 0.000 0.904 303 Q CA 0.112 55.907 55.803 -0.013 0.000 0.933 303 Q CB 0.025 28.754 28.738 -0.015 0.000 1.077 303 Q HN 0.825 nan 8.270 nan 0.000 0.522 304 G N 0.937 109.724 108.800 -0.022 0.000 2.651 304 G HA2 0.243 4.203 3.960 0.000 0.000 0.260 304 G HA3 0.243 4.203 3.960 0.000 0.000 0.260 304 G C -0.579 174.315 174.900 -0.011 0.000 1.216 304 G CA -0.313 44.774 45.100 -0.022 0.000 0.913 304 G HN 0.043 nan 8.290 nan 0.000 0.535 305 Q N -0.801 118.994 119.800 -0.008 0.000 2.290 305 Q HA 0.429 4.769 4.340 0.000 0.000 0.259 305 Q C -0.086 175.916 176.000 0.003 0.000 0.941 305 Q CA -0.484 55.318 55.803 -0.002 0.000 0.912 305 Q CB 2.071 30.808 28.738 -0.002 0.000 1.244 305 Q HN 0.273 nan 8.270 nan 0.000 0.441 306 V N 4.781 124.699 119.914 0.006 0.000 2.585 306 V HA -0.013 4.107 4.120 0.000 0.000 0.296 306 V C 0.909 177.009 176.094 0.010 0.000 1.035 306 V CA 0.533 62.840 62.300 0.012 0.000 1.084 306 V CB 0.326 32.156 31.823 0.012 0.000 0.953 306 V HN 0.822 nan 8.190 nan 0.000 0.483 307 L N 5.172 126.404 121.223 0.015 0.000 2.515 307 L HA 0.405 4.746 4.340 0.000 0.000 0.223 307 L C 0.288 177.162 176.870 0.007 0.000 1.079 307 L CA 0.573 55.419 54.840 0.011 0.000 0.857 307 L CB 0.920 42.988 42.059 0.016 0.000 1.050 307 L HN 0.532 nan 8.230 nan 0.000 0.476 308 V N -1.069 118.850 119.914 0.009 0.000 3.174 308 V HA 0.632 4.752 4.120 0.000 0.000 0.280 308 V C -0.094 175.999 176.094 -0.002 0.000 1.554 308 V CA 0.043 62.341 62.300 -0.004 0.000 1.016 308 V CB 1.340 33.153 31.823 -0.017 0.000 1.197 308 V HN 0.410 nan 8.190 nan 0.000 0.453 309 G N 3.526 112.317 108.800 -0.014 0.000 2.525 309 G HA2 0.122 4.082 3.960 0.000 0.000 0.248 309 G HA3 0.122 4.082 3.960 0.000 0.000 0.248 309 G C 0.775 175.677 174.900 0.004 0.000 1.238 309 G CA 1.237 46.330 45.100 -0.012 0.000 0.926 309 G HN 2.597 nan 8.290 nan 0.000 0.574 310 S N -1.658 114.051 115.700 0.015 0.000 2.990 310 S HA -0.192 4.278 4.470 0.000 0.000 0.273 310 S C 0.395 175.003 174.600 0.015 0.000 1.323 310 S CA 2.503 60.715 58.200 0.020 0.000 1.084 310 S CB -1.897 61.314 63.200 0.018 0.000 1.323 310 S HN 1.954 nan 8.310 nan 0.000 0.682 311 Q N 0.701 120.507 119.800 0.009 0.000 2.256 311 Q HA 0.811 5.152 4.340 0.000 0.000 0.257 311 Q C -0.383 175.623 176.000 0.010 0.000 0.936 311 Q CA -0.180 55.628 55.803 0.007 0.000 0.903 311 Q CB 2.008 30.747 28.738 0.001 0.000 1.263 311 Q HN 0.660 nan 8.270 nan 0.000 0.440 312 A N 2.027 124.854 122.820 0.012 0.000 2.454 312 A HA 0.560 4.880 4.320 0.000 0.000 0.302 312 A C -1.428 176.163 177.584 0.011 0.000 1.079 312 A CA -0.654 51.392 52.037 0.014 0.000 0.731 312 A CB 1.989 21.000 19.000 0.019 0.000 1.299 312 A HN 0.788 nan 8.150 nan 0.000 0.413 313 D N 1.932 122.339 120.400 0.011 0.000 2.405 313 D HA 0.343 4.984 4.640 0.000 0.000 0.264 313 D C 0.898 177.203 176.300 0.010 0.000 1.240 313 D CA -0.292 53.713 54.000 0.009 0.000 0.893 313 D CB 0.877 41.681 40.800 0.007 0.000 1.198 313 D HN 0.087 nan 8.370 nan 0.000 0.514 314 V N 2.197 122.117 119.914 0.010 0.000 2.250 314 V HA -0.330 3.791 4.120 0.000 0.000 0.253 314 V C 2.585 178.683 176.094 0.007 0.000 1.065 314 V CA 2.633 64.939 62.300 0.009 0.000 1.039 314 V CB -0.852 30.976 31.823 0.008 0.000 0.647 314 V HN 0.704 nan 8.190 nan 0.000 0.446 315 S N -0.296 115.408 115.700 0.006 0.000 2.374 315 S HA -0.312 4.158 4.470 0.000 0.000 0.227 315 S C 1.962 176.565 174.600 0.006 0.000 1.037 315 S CA 2.019 60.222 58.200 0.005 0.000 1.024 315 S CB -0.467 62.736 63.200 0.005 0.000 0.861 315 S HN 0.627 nan 8.310 nan 0.000 0.456 316 K N 0.728 121.133 120.400 0.007 0.000 2.444 316 K HA 0.175 4.495 4.320 0.000 0.000 0.193 316 K C 0.027 176.633 176.600 0.010 0.000 1.024 316 K CA -0.059 56.233 56.287 0.008 0.000 1.077 316 K CB -0.010 32.494 32.500 0.008 0.000 0.833 316 K HN 0.351 nan 8.250 nan 0.000 0.517 317 R N -0.835 119.671 120.500 0.010 0.000 3.423 317 R HA -0.182 4.158 4.340 0.000 0.000 0.271 317 R C -1.074 175.237 176.300 0.018 0.000 1.093 317 R CA 0.491 56.598 56.100 0.011 0.000 0.730 317 R CB -1.715 28.590 30.300 0.008 0.000 1.190 317 R HN 0.272 nan 8.270 nan 0.000 0.437 318 A N 0.346 123.177 122.820 0.018 0.000 2.401 318 A HA 0.843 5.164 4.320 0.000 0.000 0.310 318 A C -1.185 176.415 177.584 0.025 0.000 1.075 318 A CA -0.644 51.406 52.037 0.022 0.000 0.746 318 A CB 1.731 20.741 19.000 0.016 0.000 1.277 318 A HN 0.144 nan 8.150 nan 0.000 0.425 319 L N 1.505 122.748 121.223 0.033 0.000 2.445 319 L HA 0.736 5.077 4.340 0.000 0.000 0.262 319 L C 0.017 176.909 176.870 0.036 0.000 0.974 319 L CA -0.005 54.857 54.840 0.036 0.000 0.822 319 L CB 2.280 44.369 42.059 0.050 0.000 1.339 319 L HN 0.895 nan 8.230 nan 0.000 0.409 320 S N 3.272 118.986 115.700 0.024 0.000 2.585 320 S HA 0.826 5.296 4.470 0.000 0.000 0.277 320 S C 0.289 174.895 174.600 0.010 0.000 1.241 320 S CA -0.283 57.917 58.200 0.000 0.000 1.041 320 S CB 1.262 64.452 63.200 -0.017 0.000 0.987 320 S HN 1.302 nan 8.310 nan 0.000 0.512 321 A N 2.995 125.779 122.820 -0.059 0.000 2.583 321 A HA 0.410 4.730 4.320 0.000 0.000 0.249 321 A C 0.494 178.069 177.584 -0.015 0.000 1.035 321 A CA 0.178 52.140 52.037 -0.125 0.000 0.777 321 A CB -0.909 17.661 19.000 -0.718 0.000 0.942 321 A HN 0.850 nan 8.150 nan 0.000 0.516 322 T N 2.330 116.995 114.554 0.184 0.000 2.861 322 T HA 0.541 4.892 4.350 0.000 0.000 0.287 322 T C -0.637 174.176 174.700 0.188 0.000 1.003 322 T CA -0.450 61.730 62.100 0.132 0.000 0.977 322 T CB 1.627 70.556 68.868 0.101 0.000 0.996 322 T HN 0.494 nan 8.240 nan 0.000 0.448 323 V N 3.224 123.210 119.914 0.121 0.000 2.487 323 V HA 0.561 4.682 4.120 0.000 0.000 0.298 323 V C -0.555 175.575 176.094 0.060 0.000 1.028 323 V CA -0.713 61.653 62.300 0.111 0.000 0.860 323 V CB 1.882 33.769 31.823 0.107 0.000 0.991 323 V HN 0.742 nan 8.190 nan 0.000 0.427 324 V N 3.729 123.670 119.914 0.045 0.000 2.409 324 V HA 0.482 4.602 4.120 0.000 0.000 0.291 324 V C -0.409 175.689 176.094 0.005 0.000 1.020 324 V CA -0.473 61.840 62.300 0.020 0.000 0.848 324 V CB 1.780 33.611 31.823 0.013 0.000 0.990 324 V HN 0.901 nan 8.190 nan 0.000 0.430 325 D N 3.090 123.491 120.400 0.001 0.000 2.385 325 D HA 0.587 5.227 4.640 0.000 0.000 0.254 325 D C 1.021 177.308 176.300 -0.021 0.000 1.053 325 D CA 0.736 54.732 54.000 -0.007 0.000 0.992 325 D CB 1.785 42.585 40.800 0.001 0.000 1.145 325 D HN 0.909 nan 8.370 nan 0.000 0.523 326 G N 0.263 109.047 108.800 -0.027 0.000 2.323 326 G HA2 -0.166 3.795 3.960 0.000 0.000 0.292 326 G HA3 -0.166 3.795 3.960 0.000 0.000 0.292 326 G C 0.010 174.874 174.900 -0.061 0.000 1.040 326 G CA 0.498 45.576 45.100 -0.036 0.000 0.942 326 G HN 0.369 nan 8.290 nan 0.000 0.506 327 V N 0.180 120.037 119.914 -0.094 0.000 2.644 327 V HA 0.541 4.661 4.120 0.000 0.000 0.295 327 V C 0.326 176.288 176.094 -0.221 0.000 1.053 327 V CA -0.631 61.584 62.300 -0.142 0.000 0.987 327 V CB 1.787 33.515 31.823 -0.159 0.000 1.006 327 V HN 0.380 nan 8.190 nan 0.000 0.472 328 E N 2.051 122.129 120.200 -0.204 0.000 2.207 328 E HA 0.209 4.560 4.350 0.000 0.000 0.270 328 E C 0.265 176.709 176.600 -0.260 0.000 0.927 328 E CA -0.529 55.733 56.400 -0.230 0.000 0.799 328 E CB 1.512 31.161 29.700 -0.085 0.000 1.172 328 E HN 0.689 nan 8.360 nan 0.000 0.404 329 W N 1.406 122.550 121.300 -0.260 0.000 2.308 329 W HA -0.265 4.396 4.660 0.000 0.000 0.301 329 W C 1.980 178.359 176.519 -0.233 0.000 1.220 329 W CA 1.500 58.611 57.345 -0.390 0.000 1.240 329 W CB -0.336 28.616 29.460 -0.847 0.000 1.142 329 W HN 0.591 nan 8.180 nan 0.000 0.521 330 N N 0.939 119.672 118.700 0.056 0.000 2.364 330 N HA -0.156 4.584 4.740 0.000 0.000 0.183 330 N C -0.010 175.510 175.510 0.016 0.000 1.022 330 N CA 1.184 54.260 53.050 0.043 0.000 0.883 330 N CB -0.415 38.097 38.487 0.041 0.000 0.965 330 N HN 0.076 nan 8.380 nan 0.000 0.438 331 D N -0.714 119.674 120.400 -0.021 0.000 2.449 331 D HA 0.020 4.660 4.640 0.000 0.000 0.236 331 D C -1.554 174.740 176.300 -0.010 0.000 1.149 331 D CA -1.320 52.663 54.000 -0.029 0.000 0.878 331 D CB 1.077 41.836 40.800 -0.069 0.000 1.198 331 D HN 0.127 nan 8.370 nan 0.000 0.446 332 P HA -0.083 nan 4.420 nan 0.000 0.222 332 P C 0.990 178.293 177.300 0.006 0.000 1.147 332 P CA 0.353 63.458 63.100 0.009 0.000 0.790 332 P CB 0.202 31.907 31.700 0.009 0.000 0.780 333 L N -1.843 119.371 121.223 -0.014 0.000 2.478 333 L HA 0.072 4.412 4.340 0.000 0.000 0.223 333 L C 1.681 178.522 176.870 -0.049 0.000 1.140 333 L CA 1.629 56.456 54.840 -0.022 0.000 0.842 333 L CB -0.775 41.265 42.059 -0.033 0.000 0.953 333 L HN -0.013 nan 8.230 nan 0.000 0.452 334 M N -2.336 117.232 119.600 -0.053 0.000 2.346 334 M HA 0.170 4.651 4.480 0.000 0.000 0.280 334 M C 1.949 178.299 176.300 0.082 0.000 1.075 334 M CA 0.334 55.586 55.300 -0.079 0.000 0.989 334 M CB -0.368 32.167 32.600 -0.109 0.000 1.447 334 M HN 0.309 nan 8.290 nan 0.000 0.511 335 S N 0.277 116.027 115.700 0.083 0.000 2.421 335 S HA 0.027 4.497 4.470 0.000 0.000 0.224 335 S C 0.668 175.363 174.600 0.158 0.000 1.035 335 S CA 0.047 58.332 58.200 0.141 0.000 0.953 335 S CB 0.019 63.266 63.200 0.079 0.000 0.810 335 S HN 0.618 nan 8.310 nan 0.000 0.497 336 E N 0.604 120.855 120.200 0.084 0.000 2.393 336 E HA 0.491 4.841 4.350 0.000 0.000 0.265 336 E C -1.020 175.601 176.600 0.036 0.000 0.941 336 E CA -1.139 55.305 56.400 0.074 0.000 0.801 336 E CB 0.749 30.485 29.700 0.059 0.000 1.313 336 E HN 0.204 nan 8.360 nan 0.000 0.435 337 E N 0.824 121.054 120.200 0.050 0.000 2.366 337 E HA 0.010 4.360 4.350 0.000 0.000 0.266 337 E C 0.322 176.998 176.600 0.127 0.000 1.015 337 E CA -0.099 56.348 56.400 0.080 0.000 0.906 337 E CB 0.584 30.329 29.700 0.076 0.000 0.979 337 E HN 0.584 nan 8.360 nan 0.000 0.443 338 L N 4.639 125.956 121.223 0.157 0.000 2.023 338 L HA -0.046 4.294 4.340 0.000 0.000 0.205 338 L C 0.878 177.919 176.870 0.286 0.000 1.073 338 L CA 0.330 55.268 54.840 0.164 0.000 0.745 338 L CB -0.173 41.953 42.059 0.111 0.000 0.900 338 L HN 0.761 nan 8.230 nan 0.000 0.435 339 F N 0.444 120.438 119.950 0.073 0.000 3.067 339 F HA -0.151 4.376 4.527 0.000 0.000 0.279 339 F C 0.464 176.331 175.800 0.112 0.000 0.945 339 F CA 0.679 58.744 58.000 0.108 0.000 0.948 339 F CB -1.418 37.675 39.000 0.155 0.000 0.898 339 F HN 0.156 nan 8.300 nan 0.000 0.746 340 G N -1.050 107.811 108.800 0.101 0.000 2.649 340 G HA2 0.604 4.564 3.960 0.000 0.000 0.290 340 G HA3 0.604 4.564 3.960 0.000 0.000 0.290 340 G C -2.971 171.960 174.900 0.053 0.000 1.426 340 G CA -0.987 44.161 45.100 0.080 0.000 0.794 340 G HN -0.253 nan 8.290 nan 0.000 0.483 341 P HA 0.254 nan 4.420 nan 0.000 0.261 341 P C -0.402 177.036 177.300 0.229 0.000 1.650 341 P CA 0.187 63.407 63.100 0.200 0.000 0.846 341 P CB -0.445 31.405 31.700 0.251 0.000 1.758 342 I N 0.286 120.915 120.570 0.098 0.000 2.406 342 I HA 0.304 4.475 4.170 0.000 0.000 0.290 342 I C -0.263 175.870 176.117 0.026 0.000 0.999 342 I CA -1.126 60.230 61.300 0.094 0.000 1.124 342 I CB 2.288 40.331 38.000 0.071 0.000 1.289 342 I HN -0.182 nan 8.210 nan 0.000 0.441 343 L N 9.620 130.869 121.223 0.044 0.000 2.313 343 L HA 0.574 4.914 4.340 0.000 0.000 0.273 343 L C -2.523 174.368 176.870 0.036 0.000 1.028 343 L CA -1.543 53.299 54.840 0.004 0.000 0.871 343 L CB 0.797 42.840 42.059 -0.026 0.000 1.242 343 L HN 0.257 nan 8.230 nan 0.000 0.434 344 P HA 0.274 nan 4.420 nan 0.000 0.274 344 P C -1.334 175.979 177.300 0.022 0.000 1.246 344 P CA -0.281 62.824 63.100 0.007 0.000 0.795 344 P CB 1.111 32.789 31.700 -0.037 0.000 1.006 345 V N 2.069 121.976 119.914 -0.011 0.000 2.525 345 V HA 0.366 4.486 4.120 0.000 0.000 0.299 345 V C -0.259 175.812 176.094 -0.038 0.000 1.034 345 V CA -0.439 61.868 62.300 0.011 0.000 0.863 345 V CB 1.232 33.068 31.823 0.021 0.000 0.999 345 V HN 0.296 nan 8.190 nan 0.000 0.423 346 L N 3.965 125.177 121.223 -0.018 0.000 2.319 346 L HA 0.732 5.072 4.340 0.000 0.000 0.267 346 L C 0.083 177.088 176.870 0.225 0.000 1.011 346 L CA -0.338 54.458 54.840 -0.074 0.000 0.818 346 L CB 1.829 43.574 42.059 -0.523 0.000 1.316 346 L HN 0.653 nan 8.230 nan 0.000 0.432 347 E N 0.740 121.079 120.200 0.233 0.000 2.320 347 E HA 0.779 5.129 4.350 0.000 0.000 0.264 347 E C -1.494 175.345 176.600 0.399 0.000 0.923 347 E CA -0.680 55.851 56.400 0.218 0.000 0.796 347 E CB 2.775 32.509 29.700 0.057 0.000 1.262 347 E HN 0.412 nan 8.360 nan 0.000 0.428 348 F N -1.442 118.578 119.950 0.116 0.000 2.711 348 F HA 0.519 5.046 4.527 0.001 0.000 0.313 348 F C -0.394 175.431 175.800 0.041 0.000 1.141 348 F CA -0.819 57.232 58.000 0.084 0.000 0.941 348 F CB 1.311 40.247 39.000 -0.108 0.000 1.349 348 F HN 0.383 nan 8.300 nan 0.000 0.464 349 D N 0.147 120.784 120.400 0.395 0.000 3.194 349 D HA 0.127 4.768 4.640 0.000 0.000 0.290 349 D C 0.114 176.747 176.300 0.554 0.000 1.280 349 D CA 0.728 54.922 54.000 0.324 0.000 1.058 349 D CB 0.808 41.701 40.800 0.155 0.000 1.241 349 D HN 0.393 nan 8.370 nan 0.000 0.421 350 S N 0.272 116.212 115.700 0.399 0.000 2.523 350 S HA 0.222 4.692 4.470 0.000 0.000 0.275 350 S C 1.607 176.340 174.600 0.223 0.000 1.281 350 S CA -0.494 57.882 58.200 0.294 0.000 1.050 350 S CB 1.259 64.562 63.200 0.171 0.000 0.937 350 S HN 0.058 nan 8.310 nan 0.000 0.492 351 V N 6.014 126.026 119.914 0.162 0.000 2.324 351 V HA -0.202 3.918 4.120 0.000 0.000 0.250 351 V C 2.611 178.662 176.094 -0.072 0.000 1.060 351 V CA 2.402 64.681 62.300 -0.035 0.000 1.042 351 V CB -0.851 30.982 31.823 0.017 0.000 0.650 351 V HN 0.856 nan 8.190 nan 0.000 0.450 352 R N 0.467 120.971 120.500 0.006 0.000 2.094 352 R HA -0.193 4.147 4.340 0.000 0.000 0.239 352 R C 2.293 178.597 176.300 0.008 0.000 1.137 352 R CA 2.701 58.805 56.100 0.007 0.000 0.943 352 R CB -1.284 29.034 30.300 0.030 0.000 0.850 352 R HN 0.475 nan 8.270 nan 0.000 0.433 353 T N 0.315 114.894 114.554 0.042 0.000 2.821 353 T HA -0.048 4.302 4.350 0.000 0.000 0.267 353 T C 1.700 176.451 174.700 0.084 0.000 1.046 353 T CA 1.325 63.475 62.100 0.083 0.000 1.139 353 T CB -0.481 68.477 68.868 0.150 0.000 0.871 353 T HN 0.484 nan 8.240 nan 0.000 0.454 354 A N 1.480 124.253 122.820 -0.078 0.000 1.851 354 A HA -0.104 4.216 4.320 0.000 0.000 0.216 354 A C 2.218 179.823 177.584 0.036 0.000 1.195 354 A CA 1.581 53.486 52.037 -0.220 0.000 0.622 354 A CB -0.943 17.370 19.000 -1.145 0.000 0.831 354 A HN 0.526 nan 8.150 nan 0.000 0.444 355 I N 0.022 120.559 120.570 -0.054 0.000 2.087 355 I HA -0.336 3.834 4.170 0.000 0.000 0.240 355 I C 2.028 178.156 176.117 0.018 0.000 1.054 355 I CA 1.931 63.229 61.300 -0.004 0.000 1.311 355 I CB -0.689 37.294 38.000 -0.028 0.000 1.024 355 I HN 0.276 nan 8.210 nan 0.000 0.402 356 D N 0.214 120.618 120.400 0.007 0.000 2.149 356 D HA -0.176 4.464 4.640 0.000 0.000 0.198 356 D C 2.316 178.581 176.300 -0.059 0.000 0.990 356 D CA 1.025 55.011 54.000 -0.024 0.000 0.839 356 D CB -0.267 40.524 40.800 -0.015 0.000 0.948 356 D HN 0.384 nan 8.370 nan 0.000 0.460 357 Q N 0.105 119.916 119.800 0.019 0.000 2.123 357 Q HA -0.022 4.319 4.340 0.000 0.000 0.199 357 Q C 2.520 178.342 176.000 -0.297 0.000 0.966 357 Q CA 0.396 56.138 55.803 -0.101 0.000 0.845 357 Q CB -0.392 28.460 28.738 0.190 0.000 0.907 357 Q HN 0.239 nan 8.270 nan 0.000 0.439 358 V N 2.346 122.258 119.914 -0.002 0.000 2.295 358 V HA -0.245 3.875 4.120 0.000 0.000 0.246 358 V C 1.906 177.972 176.094 -0.046 0.000 1.049 358 V CA 1.758 64.095 62.300 0.062 0.000 1.024 358 V CB -0.610 31.368 31.823 0.259 0.000 0.648 358 V HN 0.323 nan 8.190 nan 0.000 0.447 359 N N 0.269 118.930 118.700 -0.064 0.000 2.149 359 N HA -0.194 4.546 4.740 0.000 0.000 0.188 359 N C 1.830 177.222 175.510 -0.197 0.000 1.019 359 N CA 1.567 54.557 53.050 -0.100 0.000 0.857 359 N CB -0.358 38.080 38.487 -0.082 0.000 0.997 359 N HN 0.545 nan 8.380 nan 0.000 0.426 360 K N -0.041 120.171 120.400 -0.314 0.000 2.057 360 K HA -0.102 4.218 4.320 0.000 0.000 0.206 360 K C 1.421 177.642 176.600 -0.632 0.000 1.050 360 K CA 1.150 57.138 56.287 -0.499 0.000 0.935 360 K CB 0.054 32.149 32.500 -0.675 0.000 0.715 360 K HN 0.333 nan 8.250 nan 0.000 0.439 361 H N -1.888 116.882 119.070 -0.500 0.000 2.476 361 H HA 0.119 4.675 4.556 0.000 0.000 0.292 361 H C 0.312 175.226 175.328 -0.690 0.000 1.019 361 H CA 0.649 56.339 56.048 -0.597 0.000 1.330 361 H CB 0.602 29.886 29.762 -0.797 0.000 1.451 361 H HN 0.216 nan 8.280 nan 0.000 0.535 362 H N 0.172 119.216 119.070 -0.042 0.000 2.490 362 H HA 0.245 4.801 4.556 0.000 0.000 0.230 362 H C -2.578 172.767 175.328 0.028 0.000 1.417 362 H CA -1.613 54.457 56.048 0.037 0.000 1.449 362 H CB 1.276 31.122 29.762 0.140 0.000 1.649 362 H HN 0.222 nan 8.280 nan 0.000 0.519 363 P HA 0.052 nan 4.420 nan 0.000 0.272 363 P C -0.083 177.227 177.300 0.016 0.000 1.230 363 P CA -0.330 62.771 63.100 0.000 0.000 0.788 363 P CB 0.842 32.511 31.700 -0.053 0.000 0.949 364 K N -1.391 119.004 120.400 -0.009 0.000 3.653 364 K HA -0.153 4.167 4.320 0.000 0.000 0.275 364 K C -2.316 174.273 176.600 -0.019 0.000 0.962 364 K CA -0.092 56.177 56.287 -0.030 0.000 0.773 364 K CB -1.713 30.761 32.500 -0.044 0.000 1.463 364 K HN 0.448 nan 8.250 nan 0.000 0.450 365 P HA 0.029 nan 4.420 nan 0.000 0.276 365 P C 0.687 177.939 177.300 -0.080 0.000 1.252 365 P CA -0.784 62.305 63.100 -0.019 0.000 0.802 365 P CB 0.655 32.349 31.700 -0.011 0.000 1.035 366 L N 0.583 121.758 121.223 -0.079 0.000 2.127 366 L HA 0.033 4.373 4.340 0.000 0.000 0.211 366 L C 0.573 177.344 176.870 -0.165 0.000 1.089 366 L CA 1.867 56.633 54.840 -0.123 0.000 0.757 366 L CB -1.240 40.778 42.059 -0.067 0.000 0.899 366 L HN 0.518 nan 8.230 nan 0.000 0.434 367 A N -2.151 120.545 122.820 -0.207 0.000 2.547 367 A HA 0.635 4.955 4.320 0.000 0.000 0.297 367 A C -1.386 175.906 177.584 -0.487 0.000 1.056 367 A CA -0.547 51.263 52.037 -0.378 0.000 0.688 367 A CB 1.369 20.086 19.000 -0.472 0.000 1.282 367 A HN -0.190 nan 8.150 nan 0.000 0.400 368 V N 2.287 121.942 119.914 -0.431 0.000 2.435 368 V HA 0.511 4.632 4.120 0.000 0.000 0.290 368 V C -1.345 174.560 176.094 -0.315 0.000 1.030 368 V CA -0.304 61.807 62.300 -0.316 0.000 0.881 368 V CB 1.120 32.865 31.823 -0.131 0.000 0.983 368 V HN 0.717 nan 8.190 nan 0.000 0.445 369 Y N 3.332 123.658 120.300 0.043 0.000 2.341 369 Y HA 0.675 5.225 4.550 0.000 0.000 0.338 369 Y C -0.053 175.947 175.900 0.167 0.000 0.965 369 Y CA -1.139 57.025 58.100 0.107 0.000 1.108 369 Y CB 1.995 40.591 38.460 0.227 0.000 1.180 369 Y HN 0.307 nan 8.280 nan 0.000 0.458 370 V N 4.977 125.047 119.914 0.260 0.000 2.483 370 V HA 0.413 4.533 4.120 0.000 0.000 0.297 370 V C -0.970 175.195 176.094 0.119 0.000 1.027 370 V CA -1.111 61.318 62.300 0.214 0.000 0.855 370 V CB 1.359 33.238 31.823 0.092 0.000 0.995 370 V HN 0.547 nan 8.190 nan 0.000 0.424 371 F N 3.207 123.206 119.950 0.082 0.000 2.402 371 F HA 0.833 5.361 4.527 0.000 0.000 0.355 371 F C 0.772 176.600 175.800 0.047 0.000 1.123 371 F CA -0.079 57.956 58.000 0.058 0.000 1.021 371 F CB 2.082 41.114 39.000 0.053 0.000 1.160 371 F HN 0.671 nan 8.300 nan 0.000 0.451 372 G N 2.678 111.541 108.800 0.106 0.000 2.506 372 G HA2 0.297 4.258 3.960 0.000 0.000 0.292 372 G HA3 0.297 4.258 3.960 0.000 0.000 0.292 372 G C -0.670 174.244 174.900 0.022 0.000 1.425 372 G CA -0.759 44.383 45.100 0.069 0.000 0.788 372 G HN 0.260 nan 8.290 nan 0.000 0.490 373 K N -0.304 120.105 120.400 0.014 0.000 2.373 373 K HA 0.186 4.506 4.320 0.000 0.000 0.200 373 K C -0.168 176.429 176.600 -0.004 0.000 1.054 373 K CA -0.118 56.169 56.287 0.001 0.000 1.065 373 K CB 1.021 33.524 32.500 0.004 0.000 0.886 373 K HN 0.476 nan 8.250 nan 0.000 0.546 374 D N 1.682 122.080 120.400 -0.003 0.000 2.380 374 D HA 0.102 4.743 4.640 0.000 0.000 0.230 374 D C 1.052 177.348 176.300 -0.006 0.000 1.154 374 D CA -0.083 53.914 54.000 -0.005 0.000 0.859 374 D CB 0.839 41.637 40.800 -0.004 0.000 1.045 374 D HN -0.229 nan 8.370 nan 0.000 0.495 375 M N 2.263 121.857 119.600 -0.010 0.000 2.175 375 M HA -0.116 4.364 4.480 0.000 0.000 0.264 375 M C 1.109 177.403 176.300 -0.010 0.000 1.063 375 M CA 1.076 56.368 55.300 -0.013 0.000 1.119 375 M CB -0.558 32.034 32.600 -0.015 0.000 1.377 375 M HN 0.370 nan 8.290 nan 0.000 0.415 376 D N 0.267 120.662 120.400 -0.007 0.000 2.123 376 D HA -0.110 4.530 4.640 0.000 0.000 0.196 376 D C 2.273 178.570 176.300 -0.005 0.000 0.992 376 D CA 1.131 55.127 54.000 -0.006 0.000 0.833 376 D CB -0.361 40.437 40.800 -0.003 0.000 0.954 376 D HN 0.179 nan 8.370 nan 0.000 0.455 377 V N 1.467 121.380 119.914 -0.002 0.000 2.358 377 V HA -0.210 3.910 4.120 0.000 0.000 0.246 377 V C 2.547 178.641 176.094 0.000 0.000 1.047 377 V CA 1.745 64.046 62.300 0.001 0.000 1.035 377 V CB -0.803 31.024 31.823 0.006 0.000 0.658 377 V HN 0.181 nan 8.190 nan 0.000 0.452 378 A N 0.047 122.866 122.820 -0.001 0.000 1.858 378 A HA -0.226 4.094 4.320 0.000 0.000 0.216 378 A C 2.289 179.867 177.584 -0.010 0.000 1.190 378 A CA 1.965 54.001 52.037 -0.002 0.000 0.617 378 A CB -0.447 18.546 19.000 -0.012 0.000 0.827 378 A HN 0.537 nan 8.150 nan 0.000 0.443 379 K N -0.676 119.715 120.400 -0.014 0.000 2.147 379 K HA -0.073 4.247 4.320 0.000 0.000 0.205 379 K C 2.076 178.666 176.600 -0.016 0.000 1.049 379 K CA 0.927 57.203 56.287 -0.017 0.000 0.936 379 K CB -0.420 32.071 32.500 -0.017 0.000 0.722 379 K HN 0.473 nan 8.250 nan 0.000 0.446 380 G N 1.815 110.607 108.800 -0.013 0.000 2.440 380 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 380 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 380 G C 1.510 176.400 174.900 -0.016 0.000 1.154 380 G CA 0.688 45.781 45.100 -0.013 0.000 0.767 380 G HN 0.139 nan 8.290 nan 0.000 0.552 381 I N 0.367 120.927 120.570 -0.016 0.000 2.179 381 I HA -0.147 4.023 4.170 0.000 0.000 0.242 381 I C 2.682 178.787 176.117 -0.020 0.000 1.088 381 I CA 0.858 62.146 61.300 -0.020 0.000 1.357 381 I CB -0.253 37.737 38.000 -0.016 0.000 1.051 381 I HN 0.141 nan 8.210 nan 0.000 0.409 382 I N 1.078 121.635 120.570 -0.021 0.000 2.208 382 I HA -0.322 3.848 4.170 0.000 0.000 0.245 382 I C 2.125 178.221 176.117 -0.035 0.000 1.097 382 I CA 1.404 62.685 61.300 -0.031 0.000 1.363 382 I CB -0.501 37.477 38.000 -0.036 0.000 1.051 382 I HN 0.315 nan 8.210 nan 0.000 0.413 383 N N 0.549 119.231 118.700 -0.030 0.000 2.309 383 N HA -0.170 4.570 4.740 0.000 0.000 0.182 383 N C 1.416 176.908 175.510 -0.029 0.000 1.018 383 N CA 1.063 54.096 53.050 -0.029 0.000 0.876 383 N CB -0.186 38.287 38.487 -0.023 0.000 0.972 383 N HN 0.552 nan 8.380 nan 0.000 0.434 384 Q N -0.208 119.576 119.800 -0.027 0.000 2.282 384 Q HA 0.297 4.637 4.340 0.000 0.000 0.206 384 Q C -0.243 175.740 176.000 -0.027 0.000 0.878 384 Q CA 0.138 55.925 55.803 -0.026 0.000 0.944 384 Q CB 0.921 29.645 28.738 -0.023 0.000 1.100 384 Q HN 0.295 nan 8.270 nan 0.000 0.509 385 I N 1.448 122.002 120.570 -0.028 0.000 2.411 385 I HA 0.181 4.351 4.170 0.000 0.000 0.284 385 I C -0.308 175.784 176.117 -0.041 0.000 1.012 385 I CA -0.649 60.635 61.300 -0.027 0.000 1.119 385 I CB 1.653 39.647 38.000 -0.009 0.000 1.261 385 I HN -0.052 nan 8.210 nan 0.000 0.448 386 Q N 4.661 124.434 119.800 -0.045 0.000 2.337 386 Q HA 0.383 4.724 4.340 0.000 0.000 0.270 386 Q C -0.199 175.761 176.000 -0.066 0.000 1.002 386 Q CA 0.117 55.886 55.803 -0.057 0.000 0.888 386 Q CB 1.156 29.860 28.738 -0.056 0.000 1.222 386 Q HN 0.826 nan 8.270 nan 0.000 0.400 387 S N -0.375 115.272 115.700 -0.087 0.000 2.595 387 S HA 0.419 4.889 4.470 0.000 0.000 0.270 387 S C 0.566 175.083 174.600 -0.139 0.000 1.145 387 S CA -0.542 57.592 58.200 -0.109 0.000 0.825 387 S CB 0.718 63.843 63.200 -0.123 0.000 1.107 387 S HN 0.618 nan 8.310 nan 0.000 0.461 388 G N 0.550 109.249 108.800 -0.167 0.000 2.433 388 G HA2 0.181 4.141 3.960 0.000 0.000 0.216 388 G HA3 0.181 4.141 3.960 0.000 0.000 0.216 388 G C -0.027 174.744 174.900 -0.214 0.000 1.186 388 G CA 1.300 46.275 45.100 -0.208 0.000 0.779 388 G HN 0.818 nan 8.290 nan 0.000 0.543 389 D N -1.834 118.428 120.400 -0.229 0.000 2.752 389 D HA 0.651 5.291 4.640 0.000 0.000 0.313 389 D C -0.606 175.510 176.300 -0.305 0.000 1.225 389 D CA 0.144 53.993 54.000 -0.253 0.000 0.976 389 D CB 1.845 42.488 40.800 -0.262 0.000 1.443 389 D HN 0.376 nan 8.370 nan 0.000 0.515 390 A N 0.055 122.679 122.820 -0.327 0.000 2.608 390 A HA 0.603 4.924 4.320 0.000 0.000 0.292 390 A C -1.753 175.746 177.584 -0.141 0.000 1.066 390 A CA -0.626 51.267 52.037 -0.240 0.000 0.676 390 A CB 2.060 20.970 19.000 -0.149 0.000 1.277 390 A HN 0.358 nan 8.150 nan 0.000 0.413 391 Q N -0.093 119.716 119.800 0.015 0.000 2.416 391 Q HA 0.613 4.953 4.340 0.000 0.000 0.281 391 Q C -1.573 174.426 176.000 -0.001 0.000 1.067 391 Q CA -0.945 54.893 55.803 0.059 0.000 0.809 391 Q CB 2.862 31.708 28.738 0.179 0.000 1.418 391 Q HN 0.554 nan 8.270 nan 0.000 0.411 392 V N 2.941 122.797 119.914 -0.097 0.000 2.384 392 V HA 0.252 4.373 4.120 0.000 0.000 0.287 392 V C -0.078 175.779 176.094 -0.395 0.000 1.020 392 V CA -0.550 61.627 62.300 -0.206 0.000 0.850 392 V CB 1.222 32.970 31.823 -0.124 0.000 0.987 392 V HN 0.858 nan 8.190 nan 0.000 0.436 393 N N 2.967 121.125 118.700 -0.903 0.000 2.776 393 N HA -0.143 4.598 4.740 0.000 0.000 0.250 393 N C 0.066 175.093 175.510 -0.805 0.000 1.112 393 N CA 1.328 53.647 53.050 -1.219 0.000 0.733 393 N CB -0.943 37.285 38.487 -0.433 0.000 1.097 393 N HN 1.099 nan 8.380 nan 0.000 0.558 394 G N -1.963 106.435 108.800 -0.669 0.000 2.646 394 G HA2 0.674 4.634 3.960 0.000 0.000 0.291 394 G HA3 0.674 4.634 3.960 0.000 0.000 0.291 394 G C -1.528 173.309 174.900 -0.104 0.000 1.445 394 G CA -0.329 44.703 45.100 -0.113 0.000 0.814 394 G HN 0.160 nan 8.290 nan 0.000 0.495 395 V N 1.258 121.140 119.914 -0.054 0.000 2.971 395 V HA 0.569 4.689 4.120 0.000 0.000 0.309 395 V C 0.954 177.059 176.094 0.019 0.000 1.130 395 V CA 0.444 62.491 62.300 -0.421 0.000 0.964 395 V CB 1.732 33.318 31.823 -0.397 0.000 1.029 395 V HN 1.370 nan 8.190 nan 0.000 0.427 396 M N 2.362 122.026 119.600 0.107 0.000 2.811 396 M HA -0.284 4.196 4.480 0.000 0.000 0.150 396 M C 0.715 176.989 176.300 -0.043 0.000 0.694 396 M CA 2.355 57.699 55.300 0.074 0.000 0.571 396 M CB -1.009 31.579 32.600 -0.020 0.000 2.098 396 M HN 0.579 nan 8.290 nan 0.000 0.260 397 L N 1.220 122.571 121.223 0.214 0.000 2.456 397 L HA -0.175 4.165 4.340 0.000 0.000 0.224 397 L C 2.345 179.267 176.870 0.087 0.000 1.148 397 L CA 1.282 56.272 54.840 0.249 0.000 0.825 397 L CB -1.100 41.136 42.059 0.295 0.000 0.937 397 L HN 0.644 nan 8.230 nan 0.000 0.450 398 H N -0.080 119.026 119.070 0.060 0.000 2.421 398 H HA -0.062 4.494 4.556 0.000 0.000 0.298 398 H C 2.038 177.355 175.328 -0.018 0.000 1.087 398 H CA 1.155 57.241 56.048 0.063 0.000 1.330 398 H CB -0.360 29.471 29.762 0.116 0.000 1.388 398 H HN 0.281 nan 8.280 nan 0.000 0.526 399 A N 0.706 123.071 122.820 -0.758 0.000 2.178 399 A HA -0.036 4.284 4.320 0.000 0.000 0.218 399 A C 0.915 178.078 177.584 -0.703 0.000 1.157 399 A CA 0.698 52.231 52.037 -0.839 0.000 0.689 399 A CB -0.889 17.265 19.000 -1.411 0.000 0.787 399 A HN 0.320 nan 8.150 nan 0.000 0.465 400 F N -0.671 119.160 119.950 -0.198 0.000 2.668 400 F HA 0.332 4.860 4.527 0.000 0.000 0.301 400 F C 0.938 176.634 175.800 -0.174 0.000 1.106 400 F CA -0.451 57.419 58.000 -0.217 0.000 1.289 400 F CB 0.112 39.014 39.000 -0.163 0.000 1.006 400 F HN 0.057 nan 8.300 nan 0.000 0.535 401 S N 2.318 118.026 115.700 0.013 0.000 2.449 401 S HA 0.387 4.858 4.470 0.000 0.000 0.310 401 S C -1.674 172.864 174.600 -0.103 0.000 1.096 401 S CA -1.530 56.677 58.200 0.012 0.000 1.095 401 S CB 1.371 64.663 63.200 0.153 0.000 1.007 401 S HN -0.051 nan 8.310 nan 0.000 0.474 402 P HA 0.075 nan 4.420 nan 0.000 0.249 402 P C 0.147 177.077 177.300 -0.617 0.000 1.229 402 P CA 0.363 63.049 63.100 -0.691 0.000 0.788 402 P CB -0.130 30.631 31.700 -1.565 0.000 1.072 403 Y N -0.259 119.977 120.300 -0.107 0.000 2.523 403 Y HA 0.198 4.748 4.550 0.000 0.000 0.279 403 Y C 1.430 177.514 175.900 0.307 0.000 1.139 403 Y CA 0.091 58.261 58.100 0.116 0.000 1.296 403 Y CB -0.162 38.371 38.460 0.122 0.000 1.045 403 Y HN -0.166 nan 8.280 nan 0.000 0.538 404 L N 2.718 124.156 121.223 0.358 0.000 2.287 404 L HA 0.399 4.739 4.340 0.000 0.000 0.287 404 L C -2.494 174.476 176.870 0.166 0.000 1.022 404 L CA -2.334 52.669 54.840 0.270 0.000 0.814 404 L CB 1.453 43.642 42.059 0.216 0.000 1.217 404 L HN -0.202 nan 8.230 nan 0.000 0.420 405 P HA 0.026 nan 4.420 nan 0.000 0.268 405 P C -1.082 176.126 177.300 -0.152 0.000 1.204 405 P CA 0.086 62.855 63.100 -0.551 0.000 0.768 405 P CB 0.343 31.379 31.700 -1.107 0.000 0.842 406 F N 3.075 122.843 119.950 -0.303 0.000 2.449 406 F HA 0.724 5.251 4.527 0.000 0.000 0.342 406 F C 0.089 175.807 175.800 -0.136 0.000 1.127 406 F CA 0.198 58.032 58.000 -0.277 0.000 0.975 406 F CB 1.397 40.021 39.000 -0.626 0.000 1.146 406 F HN 0.540 nan 8.300 nan 0.000 0.444 407 G N 2.775 111.129 108.800 -0.743 0.000 2.387 407 G HA2 0.461 4.422 3.960 0.000 0.000 0.294 407 G HA3 0.461 4.422 3.960 0.000 0.000 0.294 407 G C -1.342 173.286 174.900 -0.454 0.000 1.509 407 G CA -0.231 44.553 45.100 -0.528 0.000 0.806 407 G HN 1.012 nan 8.290 nan 0.000 0.546 408 G N -1.337 107.267 108.800 -0.328 0.000 2.642 408 G HA2 0.756 4.716 3.960 0.000 0.000 0.291 408 G HA3 0.756 4.716 3.960 0.000 0.000 0.291 408 G C -0.822 173.971 174.900 -0.177 0.000 1.345 408 G CA -0.687 44.267 45.100 -0.244 0.000 1.043 408 G HN 1.177 nan 8.290 nan 0.000 0.528 409 I N -1.173 119.314 120.570 -0.138 0.000 2.722 409 I HA 0.523 4.693 4.170 0.000 0.000 0.295 409 I C 0.862 176.925 176.117 -0.089 0.000 1.161 409 I CA 0.570 61.804 61.300 -0.110 0.000 1.032 409 I CB 1.584 39.522 38.000 -0.102 0.000 1.244 409 I HN 1.225 nan 8.210 nan 0.000 0.421 410 G N 5.019 113.770 108.800 -0.081 0.000 2.596 410 G HA2 -0.395 3.565 3.960 0.000 0.000 0.304 410 G HA3 -0.395 3.565 3.960 0.000 0.000 0.304 410 G C 0.880 175.741 174.900 -0.065 0.000 1.189 410 G CA 0.726 45.785 45.100 -0.069 0.000 0.986 410 G HN 1.382 nan 8.290 nan 0.000 0.548 411 A N -0.097 122.693 122.820 -0.050 0.000 2.119 411 A HA 0.327 4.647 4.320 0.000 0.000 0.217 411 A C 2.494 180.056 177.584 -0.036 0.000 1.153 411 A CA 2.850 54.864 52.037 -0.038 0.000 0.692 411 A CB -0.534 18.455 19.000 -0.018 0.000 0.799 411 A HN 1.961 nan 8.150 nan 0.000 0.458 412 S N -1.918 113.751 115.700 -0.051 0.000 2.575 412 S HA 0.485 4.955 4.470 0.000 0.000 0.215 412 S C 0.857 175.399 174.600 -0.096 0.000 0.966 412 S CA 0.505 58.667 58.200 -0.064 0.000 0.911 412 S CB -0.259 62.896 63.200 -0.074 0.000 0.780 412 S HN 1.802 nan 8.310 nan 0.000 0.514 413 G N 1.157 109.898 108.800 -0.098 0.000 2.347 413 G HA2 0.279 4.239 3.960 0.000 0.000 0.477 413 G HA3 0.279 4.239 3.960 0.000 0.000 0.477 413 G C -1.184 173.637 174.900 -0.132 0.000 1.349 413 G CA -0.600 44.428 45.100 -0.120 0.000 1.000 413 G HN 0.736 nan 8.290 nan 0.000 0.605 414 M N -0.590 118.921 119.600 -0.148 0.000 2.327 414 M HA 0.775 5.256 4.480 0.000 0.000 0.298 414 M C 0.290 176.496 176.300 -0.157 0.000 1.065 414 M CA -0.089 55.128 55.300 -0.139 0.000 0.916 414 M CB 1.913 34.438 32.600 -0.125 0.000 1.630 414 M HN 2.815 nan 8.290 nan 0.000 0.442 415 G N 2.224 110.951 108.800 -0.123 0.000 2.663 415 G HA2 0.067 4.027 3.960 0.000 0.000 0.686 415 G HA3 0.067 4.027 3.960 0.000 0.000 0.686 415 G C -1.700 173.158 174.900 -0.070 0.000 1.246 415 G CA -0.854 44.192 45.100 -0.090 0.000 0.795 415 G HN 0.924 nan 8.290 nan 0.000 0.627 416 E N -0.844 119.364 120.200 0.014 0.000 2.392 416 E HA 0.846 5.196 4.350 0.000 0.000 0.269 416 E C -0.024 176.788 176.600 0.353 0.000 0.924 416 E CA -0.555 55.893 56.400 0.080 0.000 0.784 416 E CB 2.037 31.664 29.700 -0.121 0.000 1.292 416 E HN 1.168 nan 8.360 nan 0.000 0.447 417 Y N -2.342 118.035 120.300 0.127 0.000 2.967 417 Y HA 0.678 5.228 4.550 0.000 0.000 0.311 417 Y C -0.829 175.215 175.900 0.240 0.000 1.555 417 Y CA -1.224 57.039 58.100 0.271 0.000 1.084 417 Y CB 1.239 39.952 38.460 0.421 0.000 1.508 417 Y HN 0.656 nan 8.280 nan 0.000 0.457 418 H N -0.404 118.707 119.070 0.069 0.000 4.893 418 H HA 0.134 4.690 4.556 0.000 0.000 0.475 418 H C 0.475 175.887 175.328 0.140 0.000 1.156 418 H CA 0.253 56.282 56.048 -0.030 0.000 1.312 418 H CB -0.890 28.772 29.762 -0.166 0.000 2.428 418 H HN 1.718 nan 8.280 nan 0.000 0.445 419 G N 0.619 109.519 108.800 0.166 0.000 2.602 419 G HA2 -0.459 3.502 3.960 0.000 0.000 0.306 419 G HA3 -0.459 3.502 3.960 0.000 0.000 0.306 419 G C 0.714 175.619 174.900 0.008 0.000 1.301 419 G CA 1.085 46.272 45.100 0.144 0.000 0.974 419 G HN 0.999 nan 8.290 nan 0.000 0.547 420 H N -0.295 118.461 119.070 -0.524 0.000 2.460 420 H HA -0.093 4.463 4.556 0.000 0.000 0.297 420 H C 2.652 177.590 175.328 -0.649 0.000 1.103 420 H CA 1.922 57.214 56.048 -1.259 0.000 1.292 420 H CB -0.123 28.948 29.762 -1.152 0.000 1.376 420 H HN 0.410 nan 8.280 nan 0.000 0.531 421 F N 0.188 120.072 119.950 -0.109 0.000 2.234 421 F HA -0.144 4.383 4.527 0.001 0.000 0.299 421 F C 2.850 178.704 175.800 0.091 0.000 1.087 421 F CA 0.773 58.744 58.000 -0.049 0.000 1.340 421 F CB -0.531 38.491 39.000 0.037 0.000 1.031 421 F HN 0.065 nan 8.300 nan 0.000 0.500 422 S N -0.800 115.112 115.700 0.354 0.000 2.368 422 S HA -0.249 4.221 4.470 0.000 0.000 0.225 422 S C 1.893 176.734 174.600 0.401 0.000 1.030 422 S CA 1.271 59.753 58.200 0.471 0.000 0.999 422 S CB -0.658 62.825 63.200 0.472 0.000 0.844 422 S HN 0.494 nan 8.310 nan 0.000 0.459 423 Y N 2.142 122.496 120.300 0.091 0.000 2.145 423 Y HA -0.057 4.493 4.550 0.000 0.000 0.286 423 Y C 1.818 177.746 175.900 0.047 0.000 1.145 423 Y CA 1.340 59.492 58.100 0.088 0.000 1.148 423 Y CB -0.425 38.038 38.460 0.005 0.000 0.981 423 Y HN 0.145 nan 8.280 nan 0.000 0.507 424 L N -1.092 120.060 121.223 -0.118 0.000 2.217 424 L HA -0.167 4.174 4.340 0.000 0.000 0.211 424 L C 2.235 179.049 176.870 -0.093 0.000 1.107 424 L CA 1.532 56.253 54.840 -0.200 0.000 0.783 424 L CB -0.683 41.256 42.059 -0.199 0.000 0.919 424 L HN 0.171 nan 8.230 nan 0.000 0.442 425 T N -0.893 113.671 114.554 0.017 0.000 2.942 425 T HA -0.037 4.313 4.350 0.000 0.000 0.265 425 T C 1.108 175.646 174.700 -0.270 0.000 1.062 425 T CA 1.029 63.113 62.100 -0.027 0.000 1.139 425 T CB -0.105 68.824 68.868 0.102 0.000 0.883 425 T HN 0.121 nan 8.240 nan 0.000 0.468 426 F N 2.036 121.889 119.950 -0.162 0.000 2.660 426 F HA 0.249 4.776 4.527 0.000 0.000 0.302 426 F C 1.225 176.918 175.800 -0.178 0.000 1.103 426 F CA -0.317 57.541 58.000 -0.236 0.000 1.340 426 F CB 0.080 39.005 39.000 -0.124 0.000 1.048 426 F HN 0.082 nan 8.300 nan 0.000 0.551 427 T N -3.270 111.168 114.554 -0.194 0.000 2.864 427 T HA 0.530 4.880 4.350 0.000 0.000 0.289 427 T C -0.947 173.422 174.700 -0.552 0.000 1.082 427 T CA -0.788 61.029 62.100 -0.472 0.000 1.009 427 T CB 1.919 70.487 68.868 -0.500 0.000 1.234 427 T HN 0.224 nan 8.240 nan 0.000 0.526 428 H N -1.054 117.594 119.070 -0.704 0.000 2.621 428 H HA 0.699 5.255 4.556 0.000 0.000 0.360 428 H C -0.858 174.342 175.328 -0.213 0.000 1.163 428 H CA -1.092 54.718 56.048 -0.395 0.000 1.194 428 H CB 1.302 30.839 29.762 -0.375 0.000 1.649 428 H HN 0.536 nan 8.280 nan 0.000 0.532 429 K N 2.426 122.674 120.400 -0.254 0.000 2.316 429 K HA 0.114 4.434 4.320 0.000 0.000 0.289 429 K C -0.556 175.881 176.600 -0.272 0.000 1.070 429 K CA -0.443 55.703 56.287 -0.235 0.000 0.928 429 K CB 0.767 33.224 32.500 -0.072 0.000 1.039 429 K HN 0.509 nan 8.250 nan 0.000 0.480 430 K N 2.400 122.603 120.400 -0.328 0.000 2.367 430 K HA 0.181 4.501 4.320 0.000 0.000 0.263 430 K C -0.827 175.704 176.600 -0.116 0.000 1.000 430 K CA -0.367 55.799 56.287 -0.201 0.000 0.891 430 K CB 1.021 33.377 32.500 -0.240 0.000 1.117 430 K HN 0.416 nan 8.250 nan 0.000 0.443 431 S N 2.096 117.748 115.700 -0.081 0.000 2.548 431 S HA 0.251 4.721 4.470 0.000 0.000 0.277 431 S C -0.581 173.911 174.600 -0.180 0.000 1.315 431 S CA -0.630 57.503 58.200 -0.111 0.000 1.050 431 S CB 1.151 64.310 63.200 -0.067 0.000 0.918 431 S HN 0.396 nan 8.310 nan 0.000 0.497 432 V N 3.846 123.561 119.914 -0.331 0.000 2.525 432 V HA 0.520 4.641 4.120 0.000 0.000 0.299 432 V C -0.120 175.728 176.094 -0.410 0.000 1.034 432 V CA -0.834 61.194 62.300 -0.454 0.000 0.863 432 V CB 1.628 32.921 31.823 -0.882 0.000 0.999 432 V HN 0.816 nan 8.190 nan 0.000 0.423 433 R N 5.015 125.385 120.500 -0.218 0.000 2.494 433 R HA 0.688 5.028 4.340 0.000 0.000 0.305 433 R C -1.535 174.724 176.300 -0.068 0.000 0.959 433 R CA -0.668 55.359 56.100 -0.121 0.000 0.864 433 R CB 1.329 31.588 30.300 -0.069 0.000 1.159 433 R HN 0.597 nan 8.270 nan 0.000 0.446 434 I N 5.920 126.480 120.570 -0.016 0.000 2.382 434 I HA 0.257 4.427 4.170 0.000 0.000 0.285 434 I C -0.289 175.844 176.117 0.026 0.000 1.007 434 I CA -0.807 60.509 61.300 0.026 0.000 1.142 434 I CB 1.395 39.448 38.000 0.088 0.000 1.289 434 I HN 0.364 nan 8.210 nan 0.000 0.453 435 V N 8.030 127.953 119.914 0.016 0.000 2.481 435 V HA 0.401 4.521 4.120 0.000 0.000 0.286 435 V C -1.390 174.716 176.094 0.018 0.000 1.042 435 V CA -1.072 61.237 62.300 0.015 0.000 0.928 435 V CB 0.943 32.771 31.823 0.009 0.000 0.986 435 V HN 0.640 nan 8.190 nan 0.000 0.462 436 P HA 0.000 nan 4.420 nan 0.000 0.216 436 P CA 0.000 63.111 63.100 0.018 0.000 0.800 436 P CB 0.000 31.710 31.700 0.016 0.000 0.726