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 1iwe_1_A DATA FIRST_RESID 28 DATA SEQUENCE ATGSRVTVVL GAQWGDEGKG KVVDLLATDA DIVSRCQGGN NAGHTVVVDG DATA SEQUENCE KEYDFHLLPS GIINTKAVSF IGNGVVIHLP GLFEEAEKNE KKGLKDWEKR DATA SEQUENCE LIISDRAHLV FDFHQAVDGL QEVQRQAQEG KNIGTTKKGI GPTYSSKAAR DATA SEQUENCE TGLRICDLLS DFDEFSARFK NLAHQHQSMF PTLEIDVEGQ LKRLKGFAER DATA SEQUENCE IRPMVRDGVY FMYEALHGPP KKVLVEGANA ALLDIDFGTY PFVTSSNCTV DATA SEQUENCE GGVCTGLGIP PQNIGDVYGV VKAYTTRVGI GAFPTEQINE IGDLLQNRGH DATA SEQUENCE EWGVTTGRKR RCGWLDLMIL RYAHMVNGFT ALALTKLDIL DVLSEIKVGI DATA SEQUENCE SYKLNGKRIP YFPANQEILQ KVEVEYETLP GWKADTTGAR KWEDLPPQAQ DATA SEQUENCE SYVRFVENHM GVAVKWVGVG KSRESMIQLF 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 28 A HA 0.000 nan 4.320 nan 0.000 0.244 28 A C 0.000 177.612 177.584 0.047 0.000 1.274 28 A CA 0.000 52.051 52.037 0.023 0.000 0.836 28 A CB 0.000 19.005 19.000 0.008 0.000 0.831 29 T N -1.048 113.507 114.554 0.002 0.000 3.085 29 T HA 0.457 4.806 4.350 -0.001 0.000 0.263 29 T C 1.671 176.263 174.700 -0.181 0.000 1.127 29 T CA 1.592 63.691 62.100 -0.002 0.000 1.103 29 T CB -0.299 68.557 68.868 -0.020 0.000 0.921 29 T HN 2.532 nan 8.240 nan 0.000 0.510 30 G N 0.939 109.591 108.800 -0.247 0.000 2.568 30 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.222 30 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.222 30 G C -0.354 174.362 174.900 -0.307 0.000 1.321 30 G CA -0.434 44.390 45.100 -0.460 0.000 0.893 30 G HN 0.637 nan 8.290 nan 0.000 0.569 31 S N 0.429 115.932 115.700 -0.328 0.000 2.584 31 S HA 0.609 5.079 4.470 -0.001 0.000 0.273 31 S C 0.550 175.043 174.600 -0.179 0.000 1.311 31 S CA -0.330 57.745 58.200 -0.208 0.000 1.034 31 S CB 1.016 64.100 63.200 -0.192 0.000 0.939 31 S HN 0.656 nan 8.310 nan 0.000 0.513 32 R N 1.207 121.637 120.500 -0.117 0.000 2.393 32 R HA 0.464 4.804 4.340 -0.001 0.000 0.310 32 R C -0.260 175.997 176.300 -0.070 0.000 0.968 32 R CA -0.774 55.273 56.100 -0.089 0.000 0.867 32 R CB 1.066 31.325 30.300 -0.068 0.000 1.124 32 R HN 0.546 nan 8.270 nan 0.000 0.450 33 V N -0.059 119.820 119.914 -0.059 0.000 2.881 33 V HA 0.333 4.452 4.120 -0.001 0.000 0.303 33 V C 0.157 176.229 176.094 -0.038 0.000 1.070 33 V CA -0.282 61.995 62.300 -0.039 0.000 1.074 33 V CB 1.484 33.296 31.823 -0.018 0.000 1.012 33 V HN 0.624 nan 8.190 nan 0.000 0.482 34 T N 3.684 118.225 114.554 -0.022 0.000 2.795 34 T HA 0.633 4.982 4.350 -0.001 0.000 0.282 34 T C -0.302 174.384 174.700 -0.023 0.000 0.980 34 T CA -0.273 61.803 62.100 -0.039 0.000 1.012 34 T CB 1.302 70.189 68.868 0.031 0.000 0.936 34 T HN 0.732 nan 8.240 nan 0.000 0.457 35 V N 3.650 123.521 119.914 -0.071 0.000 2.628 35 V HA 0.554 4.674 4.120 -0.001 0.000 0.306 35 V C -0.378 175.738 176.094 0.037 0.000 1.045 35 V CA -0.808 61.488 62.300 -0.007 0.000 0.905 35 V CB 2.096 33.918 31.823 -0.002 0.000 0.997 35 V HN 0.668 nan 8.190 nan 0.000 0.436 36 V N 5.988 125.956 119.914 0.089 0.000 2.378 36 V HA 0.531 4.651 4.120 -0.001 0.000 0.288 36 V C -0.357 175.800 176.094 0.105 0.000 1.016 36 V CA -0.325 62.049 62.300 0.124 0.000 0.840 36 V CB 1.378 33.254 31.823 0.088 0.000 0.994 36 V HN 0.628 nan 8.190 nan 0.000 0.431 37 L N 3.406 124.704 121.223 0.125 0.000 2.341 37 L HA 0.775 5.115 4.340 -0.001 0.000 0.267 37 L C 0.791 177.717 176.870 0.093 0.000 1.009 37 L CA -0.751 54.172 54.840 0.139 0.000 0.819 37 L CB 2.026 44.230 42.059 0.242 0.000 1.323 37 L HN 0.706 nan 8.230 nan 0.000 0.425 38 G N 0.222 109.074 108.800 0.087 0.000 2.370 38 G HA2 0.433 4.392 3.960 -0.001 0.000 0.272 38 G HA3 0.433 4.392 3.960 -0.001 0.000 0.272 38 G C 0.414 175.364 174.900 0.083 0.000 1.208 38 G CA 0.117 45.245 45.100 0.047 0.000 0.856 38 G HN 0.821 nan 8.290 nan 0.000 0.500 39 A N 2.078 124.921 122.820 0.038 0.000 2.348 39 A HA 0.340 4.659 4.320 -0.001 0.000 0.224 39 A C 1.286 178.863 177.584 -0.011 0.000 1.227 39 A CA 0.474 52.572 52.037 0.102 0.000 0.885 39 A CB 0.274 19.287 19.000 0.021 0.000 0.933 39 A HN 0.671 nan 8.150 nan 0.000 0.506 40 Q N -2.263 117.502 119.800 -0.059 0.000 3.074 40 Q HA 0.262 4.601 4.340 -0.001 0.000 0.208 40 Q C -0.224 175.639 176.000 -0.228 0.000 1.167 40 Q CA -0.600 55.104 55.803 -0.165 0.000 0.323 40 Q CB 0.439 29.163 28.738 -0.023 0.000 5.787 40 Q HN 0.604 nan 8.270 nan 0.000 0.307 41 W N 1.313 122.604 121.300 -0.016 0.000 2.570 41 W HA 0.475 5.135 4.660 -0.001 0.000 0.410 41 W C 0.028 176.534 176.519 -0.021 0.000 0.889 41 W CA 0.720 58.049 57.345 -0.026 0.000 2.386 41 W CB 0.499 29.895 29.460 -0.107 0.000 1.228 41 W HN 0.762 nan 8.180 nan 0.000 0.692 42 G N 1.481 110.367 108.800 0.144 0.000 2.757 42 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.638 42 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.638 42 G C 0.089 175.013 174.900 0.040 0.000 1.344 42 G CA -0.348 44.807 45.100 0.091 0.000 0.855 42 G HN 0.166 nan 8.290 nan 0.000 0.537 43 D N -0.986 119.411 120.400 -0.003 0.000 2.837 43 D HA -0.157 4.482 4.640 -0.001 0.000 0.230 43 D C 1.122 177.374 176.300 -0.079 0.000 1.152 43 D CA 1.655 55.629 54.000 -0.043 0.000 0.736 43 D CB -0.860 39.944 40.800 0.008 0.000 1.084 43 D HN 0.763 nan 8.370 nan 0.000 0.429 44 E N -0.058 120.086 120.200 -0.093 0.000 2.435 44 E HA 0.275 4.625 4.350 -0.001 0.000 0.195 44 E C 1.609 178.141 176.600 -0.114 0.000 1.029 44 E CA 0.823 57.163 56.400 -0.099 0.000 0.865 44 E CB 0.195 29.849 29.700 -0.077 0.000 0.833 44 E HN 0.489 nan 8.360 nan 0.000 0.510 45 G N 1.087 109.796 108.800 -0.152 0.000 2.288 45 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.205 45 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.205 45 G C 0.580 175.380 174.900 -0.167 0.000 1.071 45 G CA 0.181 45.192 45.100 -0.148 0.000 0.788 45 G HN 0.179 nan 8.290 nan 0.000 0.491 46 K N -0.186 120.077 120.400 -0.227 0.000 2.097 46 K HA 0.027 4.347 4.320 -0.001 0.000 0.205 46 K C 2.755 179.298 176.600 -0.095 0.000 1.050 46 K CA 1.135 57.328 56.287 -0.156 0.000 0.938 46 K CB -0.166 32.260 32.500 -0.124 0.000 0.718 46 K HN 0.433 nan 8.250 nan 0.000 0.442 47 G N 1.892 110.632 108.800 -0.101 0.000 2.450 47 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.220 47 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.220 47 G C 1.450 176.356 174.900 0.010 0.000 1.130 47 G CA 0.714 45.877 45.100 0.105 0.000 0.760 47 G HN 0.229 nan 8.290 nan 0.000 0.557 48 K N -0.118 120.245 120.400 -0.061 0.000 2.103 48 K HA 0.041 4.360 4.320 -0.001 0.000 0.204 48 K C 2.515 179.010 176.600 -0.175 0.000 1.052 48 K CA 0.823 57.057 56.287 -0.088 0.000 0.945 48 K CB -0.091 32.355 32.500 -0.089 0.000 0.722 48 K HN 0.198 nan 8.250 nan 0.000 0.443 49 V N 0.593 120.368 119.914 -0.231 0.000 2.453 49 V HA -0.177 3.943 4.120 -0.001 0.000 0.247 49 V C 2.202 178.102 176.094 -0.324 0.000 1.048 49 V CA 1.151 63.204 62.300 -0.411 0.000 1.049 49 V CB 0.130 31.706 31.823 -0.412 0.000 0.672 49 V HN 0.119 nan 8.190 nan 0.000 0.457 50 V N 0.707 120.526 119.914 -0.159 0.000 2.307 50 V HA -0.279 3.840 4.120 -0.001 0.000 0.245 50 V C 2.316 178.361 176.094 -0.082 0.000 1.045 50 V CA 2.422 64.670 62.300 -0.086 0.000 1.024 50 V CB -0.658 31.158 31.823 -0.012 0.000 0.651 50 V HN 0.716 nan 8.190 nan 0.000 0.449 51 D N -0.270 120.092 120.400 -0.063 0.000 2.149 51 D HA -0.220 4.419 4.640 -0.001 0.000 0.198 51 D C 1.961 178.219 176.300 -0.070 0.000 0.990 51 D CA 1.399 55.373 54.000 -0.043 0.000 0.839 51 D CB -0.089 40.710 40.800 -0.001 0.000 0.948 51 D HN 0.284 nan 8.370 nan 0.000 0.460 52 L N 0.111 121.256 121.223 -0.130 0.000 2.005 52 L HA 0.027 4.366 4.340 -0.001 0.000 0.207 52 L C 2.072 178.869 176.870 -0.121 0.000 1.072 52 L CA 1.523 56.274 54.840 -0.150 0.000 0.744 52 L CB -0.572 41.315 42.059 -0.287 0.000 0.895 52 L HN 0.208 nan 8.230 nan 0.000 0.433 53 L N -0.563 120.563 121.223 -0.161 0.000 2.362 53 L HA -0.084 4.255 4.340 -0.001 0.000 0.219 53 L C 2.436 179.292 176.870 -0.023 0.000 1.134 53 L CA 0.762 55.559 54.840 -0.071 0.000 0.807 53 L CB -0.740 41.282 42.059 -0.062 0.000 0.927 53 L HN 0.371 nan 8.230 nan 0.000 0.447 54 A N -0.008 122.790 122.820 -0.038 0.000 2.119 54 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 54 A C 2.374 179.949 177.584 -0.015 0.000 1.152 54 A CA 1.416 53.439 52.037 -0.023 0.000 0.708 54 A CB -0.711 18.267 19.000 -0.037 0.000 0.805 54 A HN 0.500 nan 8.150 nan 0.000 0.460 55 T N -0.685 113.862 114.554 -0.013 0.000 2.802 55 T HA -0.205 4.145 4.350 -0.001 0.000 0.269 55 T C 0.839 175.541 174.700 0.003 0.000 1.062 55 T CA 1.633 63.731 62.100 -0.003 0.000 1.133 55 T CB -0.371 68.498 68.868 0.002 0.000 0.852 55 T HN 0.637 nan 8.240 nan 0.000 0.485 56 D N 0.421 120.825 120.400 0.006 0.000 2.740 56 D HA 0.498 5.137 4.640 -0.001 0.000 0.301 56 D C -0.061 176.243 176.300 0.006 0.000 1.408 56 D CA -0.531 53.474 54.000 0.008 0.000 0.808 56 D CB -0.172 40.636 40.800 0.012 0.000 1.128 56 D HN 0.577 nan 8.370 nan 0.000 0.465 57 A N -0.007 122.815 122.820 0.004 0.000 2.293 57 A HA 0.437 4.757 4.320 -0.001 0.000 0.302 57 A C 0.648 178.232 177.584 0.000 0.000 1.119 57 A CA -0.505 51.534 52.037 0.004 0.000 0.823 57 A CB 1.041 20.046 19.000 0.007 0.000 1.097 57 A HN 0.029 nan 8.150 nan 0.000 0.491 58 D N -0.036 120.360 120.400 -0.006 0.000 2.262 58 D HA 0.111 4.751 4.640 -0.001 0.000 0.212 58 D C -0.008 176.298 176.300 0.011 0.000 0.964 58 D CA 1.217 55.212 54.000 -0.009 0.000 0.875 58 D CB 0.321 41.100 40.800 -0.035 0.000 0.996 58 D HN 0.313 nan 8.370 nan 0.000 0.497 59 I N 1.595 122.174 120.570 0.014 0.000 2.533 59 I HA 0.235 4.404 4.170 -0.001 0.000 0.290 59 I C -0.563 175.591 176.117 0.063 0.000 1.056 59 I CA -0.715 60.620 61.300 0.058 0.000 1.057 59 I CB 2.284 40.311 38.000 0.045 0.000 1.240 59 I HN -0.365 nan 8.210 nan 0.000 0.423 60 V N 5.295 125.256 119.914 0.080 0.000 2.407 60 V HA 0.563 4.682 4.120 -0.001 0.000 0.291 60 V C 0.130 176.281 176.094 0.096 0.000 1.018 60 V CA -0.437 61.896 62.300 0.055 0.000 0.842 60 V CB 1.752 33.574 31.823 -0.001 0.000 0.996 60 V HN 0.908 nan 8.190 nan 0.000 0.426 61 S N 4.540 120.310 115.700 0.117 0.000 2.638 61 S HA 0.907 5.376 4.470 -0.001 0.000 0.302 61 S C -0.734 173.900 174.600 0.056 0.000 1.096 61 S CA -1.000 57.292 58.200 0.155 0.000 0.953 61 S CB 2.642 66.049 63.200 0.346 0.000 1.107 61 S HN 0.589 nan 8.310 nan 0.000 0.503 62 R N -0.180 120.316 120.500 -0.007 0.000 2.460 62 R HA 0.670 5.009 4.340 -0.001 0.000 0.303 62 R C 0.227 176.510 176.300 -0.029 0.000 0.968 62 R CA -0.589 55.484 56.100 -0.046 0.000 0.889 62 R CB 0.572 30.805 30.300 -0.112 0.000 1.123 62 R HN 0.846 nan 8.270 nan 0.000 0.455 63 C N 1.488 120.793 119.300 0.008 0.000 3.593 63 C HA 0.363 4.823 4.460 -0.001 0.000 0.284 63 C C 0.101 175.115 174.990 0.040 0.000 1.414 63 C CA 0.289 59.328 59.018 0.035 0.000 1.674 63 C CB 0.038 27.810 27.740 0.053 0.000 2.104 63 C HN 0.676 nan 8.230 nan 0.000 0.604 64 Q N -1.045 118.788 119.800 0.056 0.000 2.892 64 Q HA 0.519 4.859 4.340 -0.001 0.000 0.307 64 Q C 0.065 176.132 176.000 0.111 0.000 1.039 64 Q CA 0.437 56.299 55.803 0.098 0.000 0.792 64 Q CB 0.716 29.499 28.738 0.074 0.000 1.504 64 Q HN 0.802 nan 8.270 nan 0.000 0.487 65 G N -0.827 108.097 108.800 0.207 0.000 2.750 65 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.228 65 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.228 65 G C -0.048 174.907 174.900 0.091 0.000 1.367 65 G CA -0.040 45.172 45.100 0.187 0.000 0.871 65 G HN 0.924 nan 8.290 nan 0.000 0.560 66 G N -1.573 107.256 108.800 0.049 0.000 3.187 66 G HA2 0.608 4.567 3.960 -0.001 0.000 0.175 66 G HA3 0.608 4.567 3.960 -0.001 0.000 0.175 66 G C 0.610 175.511 174.900 0.002 0.000 1.112 66 G CA 0.723 45.814 45.100 -0.015 0.000 0.821 66 G HN 1.666 nan 8.290 nan 0.000 0.636 67 N N 0.907 119.603 118.700 -0.007 0.000 2.362 67 N HA 0.007 4.747 4.740 -0.001 0.000 0.204 67 N C 1.076 176.619 175.510 0.056 0.000 1.166 67 N CA 0.614 53.688 53.050 0.039 0.000 0.831 67 N CB -0.202 38.272 38.487 -0.022 0.000 1.008 67 N HN 0.400 nan 8.380 nan 0.000 0.472 68 N N 0.437 119.168 118.700 0.052 0.000 2.396 68 N HA -0.039 4.701 4.740 -0.001 0.000 0.180 68 N C 0.396 175.987 175.510 0.135 0.000 1.028 68 N CA 0.441 53.532 53.050 0.069 0.000 0.893 68 N CB -0.466 38.058 38.487 0.062 0.000 0.967 68 N HN 0.302 nan 8.380 nan 0.000 0.440 69 A N -0.105 122.799 122.820 0.140 0.000 2.371 69 A HA 0.643 4.963 4.320 -0.001 0.000 0.257 69 A C 0.448 178.157 177.584 0.208 0.000 1.089 69 A CA 0.093 52.227 52.037 0.163 0.000 0.794 69 A CB 0.191 19.242 19.000 0.085 0.000 1.029 69 A HN 0.408 nan 8.150 nan 0.000 0.488 70 G N 1.256 110.200 108.800 0.241 0.000 2.668 70 G HA2 0.562 4.522 3.960 -0.001 0.000 0.284 70 G HA3 0.562 4.522 3.960 -0.001 0.000 0.284 70 G C -0.983 174.063 174.900 0.242 0.000 1.456 70 G CA -0.462 44.680 45.100 0.070 0.000 1.214 70 G HN 0.867 nan 8.290 nan 0.000 0.568 71 H N 0.500 119.470 119.070 -0.168 0.000 2.710 71 H HA 0.705 5.260 4.556 -0.001 0.000 0.361 71 H C -0.646 174.611 175.328 -0.118 0.000 1.175 71 H CA -0.897 55.109 56.048 -0.071 0.000 1.206 71 H CB 2.827 32.596 29.762 0.012 0.000 1.750 71 H HN 0.348 nan 8.280 nan 0.000 0.553 72 T N 2.208 116.792 114.554 0.050 0.000 2.847 72 T HA 0.236 4.586 4.350 -0.001 0.000 0.291 72 T C -0.496 174.208 174.700 0.007 0.000 0.998 72 T CA -0.637 61.438 62.100 -0.042 0.000 0.967 72 T CB 0.961 69.791 68.868 -0.063 0.000 0.954 72 T HN 0.181 nan 8.240 nan 0.000 0.441 73 V N 4.149 124.077 119.914 0.024 0.000 2.394 73 V HA 0.442 4.562 4.120 -0.001 0.000 0.282 73 V C -0.043 176.126 176.094 0.124 0.000 1.031 73 V CA -0.685 61.688 62.300 0.122 0.000 0.881 73 V CB 1.692 33.677 31.823 0.270 0.000 0.982 73 V HN 0.675 nan 8.190 nan 0.000 0.451 74 V N 6.128 126.091 119.914 0.081 0.000 2.293 74 V HA 0.415 4.535 4.120 -0.001 0.000 0.275 74 V C -0.295 175.851 176.094 0.086 0.000 1.021 74 V CA -0.383 61.951 62.300 0.057 0.000 0.815 74 V CB 1.516 33.342 31.823 0.006 0.000 1.025 74 V HN 0.617 nan 8.190 nan 0.000 0.448 75 V N 3.844 123.844 119.914 0.142 0.000 2.443 75 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 75 V C -0.081 176.078 176.094 0.109 0.000 1.021 75 V CA -0.687 61.693 62.300 0.133 0.000 0.848 75 V CB 1.491 33.422 31.823 0.181 0.000 0.998 75 V HN 0.928 nan 8.190 nan 0.000 0.424 76 D N 4.156 124.595 120.400 0.065 0.000 2.718 76 D HA -0.163 4.477 4.640 -0.001 0.000 0.242 76 D C 1.265 177.579 176.300 0.023 0.000 1.123 76 D CA 1.313 55.340 54.000 0.046 0.000 0.690 76 D CB -0.870 39.966 40.800 0.060 0.000 1.059 76 D HN 1.444 nan 8.370 nan 0.000 0.429 77 G N 0.371 109.177 108.800 0.010 0.000 2.296 77 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.282 77 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.282 77 G C 0.280 175.154 174.900 -0.042 0.000 1.014 77 G CA 1.265 46.358 45.100 -0.012 0.000 0.812 77 G HN 0.602 nan 8.290 nan 0.000 0.508 78 K N 0.230 120.601 120.400 -0.049 0.000 2.345 78 K HA 0.553 4.873 4.320 -0.001 0.000 0.255 78 K C -0.212 176.254 176.600 -0.222 0.000 0.934 78 K CA -0.732 55.462 56.287 -0.156 0.000 0.801 78 K CB 1.173 33.591 32.500 -0.137 0.000 1.137 78 K HN 0.262 nan 8.250 nan 0.000 0.424 79 E N 3.172 123.161 120.200 -0.352 0.000 2.171 79 E HA 0.248 4.598 4.350 -0.001 0.000 0.271 79 E C -1.333 174.957 176.600 -0.516 0.000 0.916 79 E CA -0.830 55.386 56.400 -0.307 0.000 0.774 79 E CB 1.477 31.059 29.700 -0.198 0.000 1.128 79 E HN 0.404 nan 8.360 nan 0.000 0.403 80 Y N 0.942 121.078 120.300 -0.273 0.000 2.376 80 Y HA 0.234 4.783 4.550 -0.001 0.000 0.340 80 Y C -0.293 175.163 175.900 -0.740 0.000 0.965 80 Y CA -1.044 56.727 58.100 -0.547 0.000 1.078 80 Y CB 1.607 39.615 38.460 -0.754 0.000 1.193 80 Y HN 0.361 nan 8.280 nan 0.000 0.452 81 D N 3.824 123.917 120.400 -0.512 0.000 2.373 81 D HA 0.302 4.942 4.640 -0.001 0.000 0.227 81 D C -1.007 174.956 176.300 -0.562 0.000 1.091 81 D CA 0.010 53.753 54.000 -0.427 0.000 0.840 81 D CB 0.757 41.471 40.800 -0.145 0.000 1.060 81 D HN 0.182 nan 8.370 nan 0.000 0.502 82 F N 1.142 120.929 119.950 -0.271 0.000 2.492 82 F HA 0.370 4.897 4.527 -0.001 0.000 0.327 82 F C 1.524 176.929 175.800 -0.658 0.000 1.079 82 F CA -0.627 57.178 58.000 -0.326 0.000 0.967 82 F CB 1.533 40.400 39.000 -0.222 0.000 1.169 82 F HN 0.342 nan 8.300 nan 0.000 0.472 83 H N 0.860 119.965 119.070 0.058 0.000 1.855 83 H HA 0.275 4.831 4.556 -0.001 0.000 0.178 83 H C 1.411 176.675 175.328 -0.107 0.000 0.923 83 H CA 0.373 56.392 56.048 -0.048 0.000 0.993 83 H CB 0.820 30.565 29.762 -0.027 0.000 1.078 83 H HN 0.464 nan 8.280 nan 0.000 0.349 84 L N 1.153 122.389 121.223 0.022 0.000 2.470 84 L HA 0.222 4.561 4.340 -0.001 0.000 0.219 84 L C 0.308 177.082 176.870 -0.160 0.000 1.071 84 L CA 0.156 54.944 54.840 -0.088 0.000 0.850 84 L CB 0.541 42.533 42.059 -0.112 0.000 1.040 84 L HN -0.082 nan 8.230 nan 0.000 0.475 85 L N 1.510 122.625 121.223 -0.181 0.000 2.360 85 L HA 0.180 4.519 4.340 -0.001 0.000 0.276 85 L C -2.073 174.567 176.870 -0.383 0.000 1.121 85 L CA -1.815 52.843 54.840 -0.303 0.000 0.845 85 L CB 0.215 42.037 42.059 -0.395 0.000 1.143 85 L HN -0.212 nan 8.230 nan 0.000 0.452 86 P HA 0.047 nan 4.420 nan 0.000 0.268 86 P C 0.330 177.360 177.300 -0.449 0.000 1.205 86 P CA 0.061 62.998 63.100 -0.273 0.000 0.771 86 P CB 0.815 32.421 31.700 -0.156 0.000 0.858 87 S N 2.194 117.684 115.700 -0.350 0.000 2.419 87 S HA -0.116 4.353 4.470 -0.001 0.000 0.235 87 S C 1.977 176.366 174.600 -0.352 0.000 1.019 87 S CA 1.605 59.574 58.200 -0.386 0.000 0.982 87 S CB -0.876 62.301 63.200 -0.038 0.000 0.789 87 S HN 0.758 nan 8.310 nan 0.000 0.490 88 G N 0.605 109.265 108.800 -0.233 0.000 2.882 88 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.206 88 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.206 88 G C 1.072 175.861 174.900 -0.184 0.000 1.155 88 G CA -0.135 44.870 45.100 -0.158 0.000 0.800 88 G HN 0.465 nan 8.290 nan 0.000 0.524 89 I N 0.641 121.017 120.570 -0.322 0.000 2.614 89 I HA -0.063 4.106 4.170 -0.001 0.000 0.258 89 I C 2.062 178.062 176.117 -0.194 0.000 1.189 89 I CA 0.593 61.735 61.300 -0.263 0.000 1.462 89 I CB 0.090 37.845 38.000 -0.409 0.000 1.092 89 I HN 0.065 nan 8.210 nan 0.000 0.442 90 I N 0.233 120.662 120.570 -0.236 0.000 2.493 90 I HA -0.150 4.020 4.170 -0.001 0.000 0.254 90 I C 1.008 177.075 176.117 -0.083 0.000 1.160 90 I CA 0.641 61.836 61.300 -0.175 0.000 1.445 90 I CB -1.690 36.193 38.000 -0.194 0.000 1.086 90 I HN 0.300 nan 8.210 nan 0.000 0.433 91 N N 1.940 120.599 118.700 -0.069 0.000 2.402 91 N HA -0.026 4.713 4.740 -0.001 0.000 0.252 91 N C 1.328 176.831 175.510 -0.012 0.000 1.118 91 N CA 0.369 53.401 53.050 -0.030 0.000 0.945 91 N CB 0.857 39.328 38.487 -0.027 0.000 1.147 91 N HN 0.223 nan 8.380 nan 0.000 0.495 92 T N 0.689 115.246 114.554 0.004 0.000 3.007 92 T HA -0.084 4.265 4.350 -0.001 0.000 0.270 92 T C 1.326 176.036 174.700 0.017 0.000 1.107 92 T CA 0.876 62.986 62.100 0.018 0.000 1.118 92 T CB 0.054 68.937 68.868 0.025 0.000 0.889 92 T HN 0.389 nan 8.240 nan 0.000 0.506 93 K N 1.382 121.789 120.400 0.012 0.000 2.393 93 K HA 0.394 4.713 4.320 -0.001 0.000 0.193 93 K C 0.520 177.127 176.600 0.013 0.000 1.026 93 K CA 0.059 56.353 56.287 0.012 0.000 1.064 93 K CB 0.028 32.533 32.500 0.009 0.000 0.833 93 K HN 0.502 nan 8.250 nan 0.000 0.521 94 A N 0.864 123.691 122.820 0.012 0.000 2.320 94 A HA 0.538 4.857 4.320 -0.001 0.000 0.334 94 A C -0.791 176.812 177.584 0.033 0.000 1.147 94 A CA -0.630 51.417 52.037 0.017 0.000 0.820 94 A CB 1.594 20.598 19.000 0.005 0.000 1.218 94 A HN -0.029 nan 8.150 nan 0.000 0.482 95 V N 1.839 121.788 119.914 0.059 0.000 2.407 95 V HA 0.346 4.465 4.120 -0.001 0.000 0.278 95 V C 0.422 176.579 176.094 0.105 0.000 1.037 95 V CA -0.200 62.155 62.300 0.093 0.000 0.900 95 V CB 1.376 33.293 31.823 0.156 0.000 0.983 95 V HN 0.874 nan 8.190 nan 0.000 0.459 96 S N 5.102 120.849 115.700 0.079 0.000 2.499 96 S HA 0.633 5.102 4.470 -0.001 0.000 0.279 96 S C -0.746 173.938 174.600 0.140 0.000 1.219 96 S CA -0.229 58.009 58.200 0.064 0.000 1.062 96 S CB 0.602 63.788 63.200 -0.024 0.000 0.978 96 S HN 0.539 nan 8.310 nan 0.000 0.489 97 F N 3.480 123.405 119.950 -0.042 0.000 2.540 97 F HA 0.619 5.146 4.527 -0.001 0.000 0.317 97 F C -1.166 174.597 175.800 -0.062 0.000 1.104 97 F CA -1.123 56.833 58.000 -0.072 0.000 0.913 97 F CB 0.816 39.821 39.000 0.010 0.000 1.170 97 F HN 0.413 nan 8.300 nan 0.000 0.450 98 I N 5.538 125.619 120.570 -0.816 0.000 2.330 98 I HA 0.413 4.582 4.170 -0.001 0.000 0.289 98 I C 0.720 176.189 176.117 -1.080 0.000 1.001 98 I CA -0.529 60.357 61.300 -0.690 0.000 1.193 98 I CB 1.152 38.912 38.000 -0.400 0.000 1.345 98 I HN 0.775 nan 8.210 nan 0.000 0.461 99 G N 4.297 112.678 108.800 -0.699 0.000 2.616 99 G HA2 0.012 3.972 3.960 -0.001 0.000 0.268 99 G HA3 0.012 3.972 3.960 -0.001 0.000 0.268 99 G C 0.972 175.761 174.900 -0.185 0.000 1.213 99 G CA -0.515 44.335 45.100 -0.416 0.000 0.926 99 G HN 0.782 nan 8.290 nan 0.000 0.523 100 N N -0.241 118.445 118.700 -0.023 0.000 2.364 100 N HA -0.098 4.641 4.740 -0.001 0.000 0.183 100 N C 1.868 177.418 175.510 0.067 0.000 1.022 100 N CA 1.248 54.323 53.050 0.042 0.000 0.883 100 N CB -0.241 38.309 38.487 0.105 0.000 0.965 100 N HN 0.507 nan 8.380 nan 0.000 0.438 101 G N 0.872 109.709 108.800 0.062 0.000 2.650 101 G HA2 0.088 4.048 3.960 -0.001 0.000 0.214 101 G HA3 0.088 4.048 3.960 -0.001 0.000 0.214 101 G C 0.616 175.584 174.900 0.114 0.000 1.136 101 G CA -0.083 45.078 45.100 0.102 0.000 0.789 101 G HN 0.170 nan 8.290 nan 0.000 0.536 102 V N 0.859 120.787 119.914 0.024 0.000 2.881 102 V HA 0.361 4.480 4.120 -0.001 0.000 0.303 102 V C 0.394 176.435 176.094 -0.088 0.000 1.070 102 V CA -0.697 61.592 62.300 -0.019 0.000 1.074 102 V CB 1.605 33.376 31.823 -0.085 0.000 1.012 102 V HN 0.192 nan 8.190 nan 0.000 0.482 103 V N 3.094 122.907 119.914 -0.168 0.000 2.384 103 V HA 0.610 4.729 4.120 -0.001 0.000 0.287 103 V C -0.537 175.442 176.094 -0.192 0.000 1.020 103 V CA -0.632 61.511 62.300 -0.261 0.000 0.850 103 V CB 1.500 33.012 31.823 -0.517 0.000 0.987 103 V HN 0.564 nan 8.190 nan 0.000 0.436 104 I N 4.797 125.256 120.570 -0.184 0.000 2.354 104 I HA 0.412 4.582 4.170 -0.001 0.000 0.292 104 I C -0.142 175.874 176.117 -0.168 0.000 0.989 104 I CA -0.177 61.020 61.300 -0.171 0.000 1.188 104 I CB 1.445 39.333 38.000 -0.187 0.000 1.342 104 I HN 0.849 nan 8.210 nan 0.000 0.457 105 H N 7.252 126.188 119.070 -0.223 0.000 2.661 105 H HA 0.298 4.853 4.556 -0.001 0.000 0.290 105 H C 0.622 175.802 175.328 -0.247 0.000 1.082 105 H CA -0.400 55.520 56.048 -0.214 0.000 1.234 105 H CB 1.194 30.860 29.762 -0.160 0.000 1.387 105 H HN 0.602 nan 8.280 nan 0.000 0.476 106 L N 5.559 126.427 121.223 -0.590 0.000 1.997 106 L HA -0.180 4.159 4.340 -0.001 0.000 0.216 106 L C -0.630 175.794 176.870 -0.744 0.000 1.074 106 L CA 1.402 55.815 54.840 -0.712 0.000 0.763 106 L CB -1.646 39.837 42.059 -0.959 0.000 0.890 106 L HN 0.496 nan 8.230 nan 0.000 0.434 107 P HA -0.150 nan 4.420 nan 0.000 0.215 107 P C 1.563 178.895 177.300 0.054 0.000 1.153 107 P CA 1.832 64.840 63.100 -0.153 0.000 0.853 107 P CB -0.207 31.512 31.700 0.031 0.000 0.788 108 G N -0.145 108.739 108.800 0.141 0.000 2.418 108 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 108 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 108 G C 1.449 176.341 174.900 -0.014 0.000 1.158 108 G CA 0.573 45.766 45.100 0.155 0.000 0.771 108 G HN 0.209 nan 8.290 nan 0.000 0.545 109 L N 0.065 121.206 121.223 -0.136 0.000 1.956 109 L HA -0.003 4.336 4.340 -0.001 0.000 0.216 109 L C 2.581 179.250 176.870 -0.335 0.000 1.073 109 L CA 1.890 56.546 54.840 -0.306 0.000 0.762 109 L CB -0.907 40.845 42.059 -0.512 0.000 0.889 109 L HN 0.230 nan 8.230 nan 0.000 0.433 110 F N -0.013 119.901 119.950 -0.059 0.000 2.269 110 F HA -0.159 4.367 4.527 -0.001 0.000 0.301 110 F C 2.580 178.395 175.800 0.025 0.000 1.082 110 F CA 1.481 59.506 58.000 0.041 0.000 1.360 110 F CB -0.423 38.700 39.000 0.205 0.000 1.041 110 F HN 0.329 nan 8.300 nan 0.000 0.512 111 E N 0.643 120.946 120.200 0.171 0.000 2.051 111 E HA -0.266 4.084 4.350 -0.001 0.000 0.192 111 E C 2.204 178.828 176.600 0.040 0.000 0.991 111 E CA 1.368 57.837 56.400 0.115 0.000 0.799 111 E CB -0.150 29.608 29.700 0.096 0.000 0.748 111 E HN 0.523 nan 8.360 nan 0.000 0.449 112 E N -0.074 120.118 120.200 -0.014 0.000 2.051 112 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 112 E C 1.970 178.517 176.600 -0.087 0.000 0.991 112 E CA 1.095 57.485 56.400 -0.017 0.000 0.799 112 E CB -0.176 29.520 29.700 -0.006 0.000 0.748 112 E HN 0.331 nan 8.360 nan 0.000 0.449 113 A N 1.192 123.850 122.820 -0.270 0.000 1.865 113 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 113 A C 1.958 179.420 177.584 -0.204 0.000 1.191 113 A CA 1.908 53.619 52.037 -0.544 0.000 0.623 113 A CB -0.680 17.545 19.000 -1.291 0.000 0.826 113 A HN 0.353 nan 8.150 nan 0.000 0.444 114 E N -0.581 119.624 120.200 0.009 0.000 2.110 114 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 114 E C 2.089 178.737 176.600 0.080 0.000 0.988 114 E CA 1.343 57.818 56.400 0.124 0.000 0.804 114 E CB -0.143 29.660 29.700 0.172 0.000 0.745 114 E HN 0.658 nan 8.360 nan 0.000 0.458 115 K N 0.761 121.190 120.400 0.047 0.000 2.103 115 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 115 K C 1.637 178.261 176.600 0.040 0.000 1.048 115 K CA 1.205 57.514 56.287 0.038 0.000 0.930 115 K CB 0.110 32.626 32.500 0.027 0.000 0.716 115 K HN 0.034 nan 8.250 nan 0.000 0.444 116 N N 0.702 119.432 118.700 0.050 0.000 2.446 116 N HA -0.069 4.670 4.740 -0.001 0.000 0.179 116 N C 1.139 176.745 175.510 0.160 0.000 1.054 116 N CA 0.662 53.785 53.050 0.123 0.000 0.905 116 N CB 0.251 38.847 38.487 0.181 0.000 0.973 116 N HN 0.350 nan 8.380 nan 0.000 0.448 117 E N 1.218 121.496 120.200 0.130 0.000 2.072 117 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 117 E C 1.445 178.127 176.600 0.137 0.000 0.985 117 E CA 0.893 57.400 56.400 0.177 0.000 0.801 117 E CB 0.057 29.888 29.700 0.218 0.000 0.750 117 E HN 0.287 nan 8.360 nan 0.000 0.452 118 K N 0.709 121.169 120.400 0.099 0.000 2.360 118 K HA -0.135 4.185 4.320 -0.001 0.000 0.201 118 K C 1.465 178.094 176.600 0.047 0.000 1.046 118 K CA 0.915 57.241 56.287 0.065 0.000 0.940 118 K CB 0.032 32.557 32.500 0.042 0.000 0.748 118 K HN -0.016 nan 8.250 nan 0.000 0.465 119 K N -0.871 119.564 120.400 0.060 0.000 2.372 119 K HA 0.092 4.411 4.320 -0.001 0.000 0.200 119 K C 0.724 177.388 176.600 0.107 0.000 1.022 119 K CA 0.404 56.698 56.287 0.013 0.000 1.125 119 K CB 1.206 33.630 32.500 -0.125 0.000 0.855 119 K HN 0.314 nan 8.250 nan 0.000 0.524 120 G N 1.250 110.146 108.800 0.161 0.000 2.255 120 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.196 120 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.196 120 G C -0.256 174.776 174.900 0.221 0.000 0.998 120 G CA -0.585 44.625 45.100 0.184 0.000 0.656 120 G HN 0.162 nan 8.290 nan 0.000 0.490 121 L N 2.176 123.561 121.223 0.270 0.000 2.562 121 L HA 0.580 4.919 4.340 -0.001 0.000 0.271 121 L C 0.343 177.366 176.870 0.255 0.000 1.167 121 L CA 0.086 55.065 54.840 0.232 0.000 0.917 121 L CB 0.118 42.303 42.059 0.210 0.000 1.187 121 L HN 0.466 nan 8.230 nan 0.000 0.482 122 K N 2.513 123.045 120.400 0.219 0.000 2.426 122 K HA 0.568 4.887 4.320 -0.001 0.000 0.251 122 K C -0.335 176.362 176.600 0.161 0.000 0.941 122 K CA -0.584 55.820 56.287 0.196 0.000 0.808 122 K CB 1.198 33.773 32.500 0.126 0.000 1.265 122 K HN 0.442 nan 8.250 nan 0.000 0.432 123 D N 1.002 121.454 120.400 0.086 0.000 2.911 123 D HA -0.181 4.459 4.640 -0.001 0.000 0.227 123 D C 0.498 176.791 176.300 -0.012 0.000 1.164 123 D CA 1.235 55.223 54.000 -0.019 0.000 0.782 123 D CB -0.631 40.171 40.800 0.004 0.000 1.094 123 D HN 0.912 nan 8.370 nan 0.000 0.425 124 W N 1.642 122.957 121.300 0.025 0.000 2.358 124 W HA -0.174 4.485 4.660 -0.001 0.000 0.303 124 W C 1.670 178.192 176.519 0.004 0.000 1.208 124 W CA 1.323 58.670 57.345 0.004 0.000 1.274 124 W CB -0.841 28.622 29.460 0.004 0.000 1.138 124 W HN 0.076 nan 8.180 nan 0.000 0.515 125 E N 2.004 121.648 120.200 -0.927 0.000 2.267 125 E HA -0.222 4.127 4.350 -0.001 0.000 0.197 125 E C 1.401 177.829 176.600 -0.287 0.000 0.998 125 E CA 1.358 57.271 56.400 -0.812 0.000 0.830 125 E CB -0.786 28.283 29.700 -1.053 0.000 0.751 125 E HN 0.407 nan 8.360 nan 0.000 0.491 126 K N 0.646 120.926 120.400 -0.200 0.000 2.444 126 K HA 0.060 4.380 4.320 -0.001 0.000 0.193 126 K C 1.527 178.112 176.600 -0.025 0.000 1.024 126 K CA 0.552 56.784 56.287 -0.092 0.000 1.077 126 K CB 0.151 32.605 32.500 -0.077 0.000 0.833 126 K HN 0.199 nan 8.250 nan 0.000 0.517 127 R N 0.045 120.550 120.500 0.009 0.000 2.590 127 R HA 0.226 4.566 4.340 -0.001 0.000 0.410 127 R C -0.635 175.703 176.300 0.065 0.000 1.010 127 R CA -0.408 55.717 56.100 0.043 0.000 1.155 127 R CB 0.066 30.395 30.300 0.048 0.000 1.455 127 R HN -0.098 nan 8.270 nan 0.000 0.567 128 L N 1.587 122.852 121.223 0.070 0.000 2.313 128 L HA 0.596 4.935 4.340 -0.001 0.000 0.283 128 L C -1.177 175.711 176.870 0.030 0.000 1.013 128 L CA -0.915 53.973 54.840 0.080 0.000 0.816 128 L CB 1.573 43.742 42.059 0.182 0.000 1.236 128 L HN 0.156 nan 8.230 nan 0.000 0.419 129 I N 5.806 126.385 120.570 0.015 0.000 2.474 129 I HA 0.466 4.635 4.170 -0.001 0.000 0.294 129 I C -0.748 175.343 176.117 -0.044 0.000 1.005 129 I CA -0.444 60.840 61.300 -0.027 0.000 1.113 129 I CB 1.964 39.841 38.000 -0.205 0.000 1.289 129 I HN 0.489 nan 8.210 nan 0.000 0.436 130 I N 4.310 124.829 120.570 -0.085 0.000 2.436 130 I HA 0.222 4.391 4.170 -0.001 0.000 0.289 130 I C 0.223 176.274 176.117 -0.110 0.000 1.010 130 I CA -0.533 60.654 61.300 -0.189 0.000 1.098 130 I CB 2.023 39.943 38.000 -0.133 0.000 1.266 130 I HN 0.484 nan 8.210 nan 0.000 0.434 131 S N 3.590 119.161 115.700 -0.214 0.000 2.525 131 S HA -0.020 4.450 4.470 -0.001 0.000 0.285 131 S C 1.054 175.653 174.600 -0.001 0.000 1.283 131 S CA -0.475 57.728 58.200 0.005 0.000 1.072 131 S CB 0.360 63.554 63.200 -0.009 0.000 0.867 131 S HN 0.711 nan 8.310 nan 0.000 0.492 132 D N 4.402 124.831 120.400 0.049 0.000 2.392 132 D HA -0.080 4.560 4.640 -0.001 0.000 0.228 132 D C 1.188 177.501 176.300 0.022 0.000 1.003 132 D CA 0.649 54.665 54.000 0.026 0.000 0.917 132 D CB -0.128 40.697 40.800 0.041 0.000 0.890 132 D HN 0.612 nan 8.370 nan 0.000 0.532 133 R N -0.224 120.301 120.500 0.041 0.000 2.334 133 R HA 0.380 4.719 4.340 -0.001 0.000 0.216 133 R C 0.541 176.878 176.300 0.061 0.000 0.905 133 R CA 0.044 56.175 56.100 0.053 0.000 1.064 133 R CB 0.568 30.927 30.300 0.097 0.000 1.046 133 R HN 0.111 nan 8.270 nan 0.000 0.508 134 A N 1.295 124.124 122.820 0.015 0.000 2.462 134 A HA 0.090 4.410 4.320 -0.001 0.000 0.243 134 A C -0.360 177.227 177.584 0.004 0.000 1.076 134 A CA -0.025 52.022 52.037 0.017 0.000 0.773 134 A CB 0.114 19.071 19.000 -0.071 0.000 1.010 134 A HN 0.242 nan 8.150 nan 0.000 0.493 135 H N 0.835 119.844 119.070 -0.103 0.000 2.547 135 H HA 0.344 4.900 4.556 -0.001 0.000 0.362 135 H C -0.508 174.692 175.328 -0.213 0.000 1.181 135 H CA -0.094 55.878 56.048 -0.126 0.000 1.376 135 H CB 0.939 30.613 29.762 -0.146 0.000 1.488 135 H HN 0.505 nan 8.280 nan 0.000 0.583 136 L N 2.296 123.401 121.223 -0.197 0.000 2.289 136 L HA 0.210 4.550 4.340 -0.001 0.000 0.285 136 L C -0.174 176.352 176.870 -0.573 0.000 1.049 136 L CA -0.791 53.792 54.840 -0.428 0.000 0.804 136 L CB 1.551 43.252 42.059 -0.597 0.000 1.195 136 L HN 0.216 nan 8.230 nan 0.000 0.428 137 V N 3.905 123.570 119.914 -0.415 0.000 2.385 137 V HA 0.263 4.382 4.120 -0.001 0.000 0.269 137 V C 0.058 176.043 176.094 -0.182 0.000 1.043 137 V CA -0.213 61.950 62.300 -0.228 0.000 0.906 137 V CB 0.544 32.309 31.823 -0.097 0.000 0.995 137 V HN 0.347 nan 8.190 nan 0.000 0.467 138 F N 2.262 122.252 119.950 0.068 0.000 2.380 138 F HA 0.373 4.900 4.527 -0.001 0.000 0.319 138 F C 1.549 177.222 175.800 -0.212 0.000 1.113 138 F CA -0.845 57.008 58.000 -0.245 0.000 1.056 138 F CB 0.487 38.961 39.000 -0.877 0.000 1.289 138 F HN 0.433 nan 8.300 nan 0.000 0.515 139 D N 0.634 121.125 120.400 0.152 0.000 2.123 139 D HA -0.210 4.429 4.640 -0.001 0.000 0.196 139 D C 2.018 178.347 176.300 0.048 0.000 0.992 139 D CA 1.770 55.883 54.000 0.188 0.000 0.833 139 D CB -0.431 40.526 40.800 0.263 0.000 0.954 139 D HN 0.495 nan 8.370 nan 0.000 0.455 140 F N -0.469 119.525 119.950 0.072 0.000 2.407 140 F HA 0.057 4.584 4.527 -0.001 0.000 0.299 140 F C 2.133 177.866 175.800 -0.111 0.000 1.097 140 F CA 0.785 58.740 58.000 -0.074 0.000 1.422 140 F CB -1.190 37.689 39.000 -0.201 0.000 1.067 140 F HN 0.076 nan 8.300 nan 0.000 0.539 141 H N 0.270 119.147 119.070 -0.320 0.000 2.387 141 H HA -0.097 4.459 4.556 -0.001 0.000 0.299 141 H C 2.110 177.370 175.328 -0.112 0.000 1.090 141 H CA 1.580 57.512 56.048 -0.193 0.000 1.332 141 H CB -0.003 29.609 29.762 -0.249 0.000 1.386 141 H HN 0.405 nan 8.280 nan 0.000 0.516 142 Q N -0.028 119.779 119.800 0.011 0.000 2.079 142 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 142 Q C 2.617 178.604 176.000 -0.022 0.000 0.974 142 Q CA 0.963 56.738 55.803 -0.047 0.000 0.840 142 Q CB -0.003 28.659 28.738 -0.128 0.000 0.898 142 Q HN 0.467 nan 8.270 nan 0.000 0.430 143 A N 0.648 123.474 122.820 0.010 0.000 1.898 143 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 143 A C 2.367 179.934 177.584 -0.028 0.000 1.181 143 A CA 1.163 53.208 52.037 0.013 0.000 0.620 143 A CB -0.646 18.387 19.000 0.055 0.000 0.819 143 A HN 0.190 nan 8.150 nan 0.000 0.442 144 V N 0.848 120.726 119.914 -0.060 0.000 2.407 144 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 144 V C 2.418 178.408 176.094 -0.173 0.000 1.055 144 V CA 2.343 64.504 62.300 -0.233 0.000 1.049 144 V CB -0.790 30.850 31.823 -0.305 0.000 0.662 144 V HN 0.676 nan 8.190 nan 0.000 0.455 145 D N 0.874 121.231 120.400 -0.072 0.000 2.104 145 D HA -0.144 4.496 4.640 -0.001 0.000 0.194 145 D C 2.196 178.480 176.300 -0.028 0.000 0.994 145 D CA 1.901 55.878 54.000 -0.039 0.000 0.830 145 D CB -0.526 40.259 40.800 -0.024 0.000 0.959 145 D HN 0.366 nan 8.370 nan 0.000 0.452 146 G N 0.076 108.861 108.800 -0.024 0.000 2.402 146 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 146 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 146 G C 1.681 176.583 174.900 0.003 0.000 1.162 146 G CA 0.666 45.763 45.100 -0.005 0.000 0.777 146 G HN 0.312 nan 8.290 nan 0.000 0.539 147 L N 0.508 121.723 121.223 -0.013 0.000 2.012 147 L HA -0.087 4.252 4.340 -0.001 0.000 0.210 147 L C 3.093 179.990 176.870 0.045 0.000 1.073 147 L CA 1.832 56.680 54.840 0.014 0.000 0.748 147 L CB -0.659 41.392 42.059 -0.012 0.000 0.891 147 L HN 0.309 nan 8.230 nan 0.000 0.431 148 Q N -1.385 118.424 119.800 0.015 0.000 2.170 148 Q HA -0.251 4.088 4.340 -0.001 0.000 0.203 148 Q C 2.088 178.128 176.000 0.066 0.000 0.976 148 Q CA 1.484 57.335 55.803 0.080 0.000 0.858 148 Q CB -0.072 28.701 28.738 0.059 0.000 0.907 148 Q HN 0.427 nan 8.270 nan 0.000 0.433 149 E N 0.299 120.523 120.200 0.041 0.000 2.047 149 E HA -0.130 4.219 4.350 -0.001 0.000 0.191 149 E C 1.893 178.522 176.600 0.048 0.000 0.987 149 E CA 0.918 57.344 56.400 0.042 0.000 0.799 149 E CB -0.046 29.673 29.700 0.032 0.000 0.752 149 E HN 0.084 nan 8.360 nan 0.000 0.449 150 V N 1.164 121.106 119.914 0.046 0.000 2.392 150 V HA -0.287 3.832 4.120 -0.001 0.000 0.249 150 V C 2.543 178.670 176.094 0.055 0.000 1.059 150 V CA 2.220 64.548 62.300 0.046 0.000 1.051 150 V CB -0.621 31.229 31.823 0.045 0.000 0.658 150 V HN 0.417 nan 8.190 nan 0.000 0.455 151 Q N 0.286 120.127 119.800 0.069 0.000 1.993 151 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 151 Q C 2.461 178.499 176.000 0.064 0.000 0.984 151 Q CA 1.879 57.728 55.803 0.076 0.000 0.837 151 Q CB -0.129 28.675 28.738 0.110 0.000 0.902 151 Q HN 0.541 nan 8.270 nan 0.000 0.423 152 R N -0.182 120.357 120.500 0.064 0.000 2.152 152 R HA -0.153 4.186 4.340 -0.001 0.000 0.232 152 R C 2.208 178.541 176.300 0.056 0.000 1.117 152 R CA 1.365 57.500 56.100 0.058 0.000 0.981 152 R CB -0.052 30.281 30.300 0.056 0.000 0.870 152 R HN 0.286 nan 8.270 nan 0.000 0.451 153 Q N -0.082 119.750 119.800 0.052 0.000 2.398 153 Q HA 0.098 4.437 4.340 -0.001 0.000 0.204 153 Q C 1.460 177.483 176.000 0.039 0.000 0.932 153 Q CA 1.150 56.980 55.803 0.046 0.000 0.916 153 Q CB 0.392 29.156 28.738 0.042 0.000 1.024 153 Q HN 0.293 nan 8.270 nan 0.000 0.504 154 A N -0.774 122.070 122.820 0.040 0.000 2.014 154 A HA 0.061 4.380 4.320 -0.001 0.000 0.210 154 A C 1.793 179.396 177.584 0.033 0.000 1.188 154 A CA 0.364 52.422 52.037 0.035 0.000 0.731 154 A CB 0.045 19.066 19.000 0.036 0.000 0.858 154 A HN 0.237 nan 8.150 nan 0.000 0.464 155 Q N 0.065 119.887 119.800 0.037 0.000 2.107 155 Q HA 0.005 4.344 4.340 -0.001 0.000 0.195 155 Q C 1.203 177.223 176.000 0.033 0.000 0.964 155 Q CA 1.319 57.143 55.803 0.034 0.000 0.833 155 Q CB -0.168 28.591 28.738 0.036 0.000 0.910 155 Q HN 0.781 nan 8.270 nan 0.000 0.465 156 E N -0.417 119.807 120.200 0.039 0.000 2.472 156 E HA 0.156 4.506 4.350 -0.001 0.000 0.196 156 E C 0.488 177.113 176.600 0.041 0.000 1.033 156 E CA 0.313 56.738 56.400 0.041 0.000 0.886 156 E CB 0.452 30.182 29.700 0.051 0.000 0.944 156 E HN 0.475 nan 8.360 nan 0.000 0.492 157 G N 2.671 111.494 108.800 0.038 0.000 2.179 157 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.257 157 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.257 157 G C 0.127 175.050 174.900 0.037 0.000 1.010 157 G CA 1.041 46.160 45.100 0.033 0.000 0.736 157 G HN 0.226 nan 8.290 nan 0.000 0.513 158 K N -0.273 120.159 120.400 0.054 0.000 2.592 158 K HA 0.347 4.667 4.320 -0.001 0.000 0.265 158 K C -0.139 176.528 176.600 0.111 0.000 1.006 158 K CA -0.236 56.094 56.287 0.072 0.000 0.907 158 K CB 0.553 33.099 32.500 0.078 0.000 1.309 158 K HN 0.318 nan 8.250 nan 0.000 0.452 159 N N 3.287 122.056 118.700 0.115 0.000 2.938 159 N HA 0.385 5.124 4.740 -0.001 0.000 0.335 159 N C 0.674 176.327 175.510 0.238 0.000 1.358 159 N CA -0.653 52.477 53.050 0.133 0.000 0.812 159 N CB 0.276 38.813 38.487 0.083 0.000 1.233 159 N HN 0.446 nan 8.380 nan 0.000 0.593 160 I N -1.794 118.882 120.570 0.177 0.000 2.852 160 I HA 0.226 4.396 4.170 -0.001 0.000 0.264 160 I C 0.824 177.058 176.117 0.195 0.000 1.179 160 I CA 0.580 62.026 61.300 0.242 0.000 1.480 160 I CB -0.546 37.490 38.000 0.061 0.000 1.111 160 I HN 0.891 nan 8.210 nan 0.000 0.441 161 G N 2.093 110.958 108.800 0.108 0.000 2.204 161 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.244 161 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.244 161 G C 0.255 175.192 174.900 0.062 0.000 1.062 161 G CA 0.096 45.237 45.100 0.069 0.000 0.798 161 G HN 0.239 nan 8.290 nan 0.000 0.496 162 T N 0.334 114.921 114.554 0.056 0.000 2.802 162 T HA 0.385 4.735 4.350 -0.001 0.000 0.305 162 T C 2.063 176.785 174.700 0.036 0.000 1.053 162 T CA 0.875 63.002 62.100 0.045 0.000 1.058 162 T CB 0.759 69.646 68.868 0.031 0.000 0.988 162 T HN 0.871 nan 8.240 nan 0.000 0.539 163 T N -1.217 113.356 114.554 0.032 0.000 3.148 163 T HA 0.126 4.475 4.350 -0.001 0.000 0.253 163 T C 0.669 175.366 174.700 -0.004 0.000 1.134 163 T CA -0.228 61.885 62.100 0.022 0.000 1.051 163 T CB -0.466 68.419 68.868 0.028 0.000 0.959 163 T HN 0.749 nan 8.240 nan 0.000 0.525 164 K N 0.266 120.662 120.400 -0.006 0.000 3.069 164 K HA -0.147 4.172 4.320 -0.001 0.000 0.267 164 K C 0.509 177.075 176.600 -0.057 0.000 1.082 164 K CA 0.495 56.768 56.287 -0.023 0.000 0.782 164 K CB -0.763 31.727 32.500 -0.017 0.000 1.230 164 K HN 0.218 nan 8.250 nan 0.000 0.488 165 K N -0.151 120.209 120.400 -0.066 0.000 2.387 165 K HA 0.080 4.400 4.320 -0.001 0.000 0.198 165 K C 1.211 177.733 176.600 -0.130 0.000 1.022 165 K CA 0.950 57.163 56.287 -0.123 0.000 1.128 165 K CB 0.749 33.182 32.500 -0.111 0.000 0.853 165 K HN 0.551 nan 8.250 nan 0.000 0.523 166 G N 1.944 110.695 108.800 -0.081 0.000 2.153 166 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.252 166 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.252 166 G C 0.934 175.766 174.900 -0.113 0.000 0.994 166 G CA 0.311 45.368 45.100 -0.073 0.000 0.698 166 G HN 0.230 nan 8.290 nan 0.000 0.521 167 I N 1.090 121.617 120.570 -0.071 0.000 2.127 167 I HA -0.105 4.064 4.170 -0.001 0.000 0.241 167 I C 3.024 179.156 176.117 0.025 0.000 1.075 167 I CA 2.199 63.471 61.300 -0.046 0.000 1.334 167 I CB -1.750 36.289 38.000 0.065 0.000 1.040 167 I HN 0.267 nan 8.210 nan 0.000 0.405 168 G N 2.008 110.849 108.800 0.069 0.000 2.459 168 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 168 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 168 G C -0.431 174.501 174.900 0.053 0.000 1.183 168 G CA 0.773 45.933 45.100 0.100 0.000 0.776 168 G HN 0.309 nan 8.290 nan 0.000 0.552 169 P HA -0.045 nan 4.420 nan 0.000 0.216 169 P C 2.034 179.201 177.300 -0.222 0.000 1.150 169 P CA 1.730 64.841 63.100 0.018 0.000 0.837 169 P CB -0.203 31.559 31.700 0.102 0.000 0.786 170 T N -1.833 112.396 114.554 -0.543 0.000 2.746 170 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 170 T C 1.435 175.916 174.700 -0.365 0.000 1.039 170 T CA 1.344 62.983 62.100 -0.769 0.000 1.142 170 T CB -0.978 67.477 68.868 -0.688 0.000 0.866 170 T HN 0.075 nan 8.240 nan 0.000 0.444 171 Y N 1.445 121.643 120.300 -0.169 0.000 2.373 171 Y HA 0.010 4.559 4.550 -0.001 0.000 0.293 171 Y C 2.898 178.761 175.900 -0.063 0.000 1.129 171 Y CA 0.278 58.306 58.100 -0.120 0.000 1.226 171 Y CB -0.442 37.966 38.460 -0.086 0.000 1.000 171 Y HN 0.145 nan 8.280 nan 0.000 0.549 172 S N -0.943 114.829 115.700 0.119 0.000 2.368 172 S HA -0.161 4.308 4.470 -0.001 0.000 0.224 172 S C 2.264 176.943 174.600 0.131 0.000 1.029 172 S CA 1.379 59.653 58.200 0.122 0.000 0.988 172 S CB -0.366 62.917 63.200 0.139 0.000 0.838 172 S HN 0.385 nan 8.310 nan 0.000 0.462 173 S N 1.344 117.143 115.700 0.165 0.000 2.382 173 S HA -0.123 4.346 4.470 -0.001 0.000 0.228 173 S C 1.842 176.552 174.600 0.182 0.000 1.027 173 S CA 1.259 59.606 58.200 0.245 0.000 0.991 173 S CB -0.229 63.224 63.200 0.422 0.000 0.823 173 S HN 0.510 nan 8.310 nan 0.000 0.469 174 K N 1.563 122.012 120.400 0.081 0.000 2.026 174 K HA -0.078 4.242 4.320 -0.001 0.000 0.208 174 K C 2.202 178.824 176.600 0.037 0.000 1.048 174 K CA 1.307 57.571 56.287 -0.038 0.000 0.929 174 K CB -0.400 31.868 32.500 -0.386 0.000 0.713 174 K HN 0.285 nan 8.250 nan 0.000 0.439 175 A N 0.746 123.595 122.820 0.049 0.000 1.972 175 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 175 A C 2.212 179.838 177.584 0.069 0.000 1.169 175 A CA 1.755 53.824 52.037 0.054 0.000 0.635 175 A CB -0.645 18.386 19.000 0.051 0.000 0.810 175 A HN 0.503 nan 8.150 nan 0.000 0.446 176 A N -1.489 121.385 122.820 0.091 0.000 2.167 176 A HA 0.225 4.544 4.320 -0.001 0.000 0.214 176 A C 1.260 178.905 177.584 0.101 0.000 1.151 176 A CA 0.957 53.048 52.037 0.090 0.000 0.735 176 A CB -0.182 18.878 19.000 0.099 0.000 0.802 176 A HN 0.502 nan 8.150 nan 0.000 0.467 177 R N -2.126 118.452 120.500 0.130 0.000 3.875 177 R HA -0.129 4.210 4.340 -0.001 0.000 0.321 177 R C 0.742 177.132 176.300 0.150 0.000 1.196 177 R CA 1.285 57.476 56.100 0.150 0.000 0.868 177 R CB -3.001 27.365 30.300 0.110 0.000 1.333 177 R HN 0.443 nan 8.270 nan 0.000 0.522 178 T N -1.525 113.130 114.554 0.169 0.000 3.015 178 T HA 0.174 4.523 4.350 -0.001 0.000 0.250 178 T C 1.254 176.090 174.700 0.227 0.000 1.057 178 T CA 0.467 62.664 62.100 0.162 0.000 1.066 178 T CB 0.352 69.311 68.868 0.152 0.000 0.959 178 T HN 0.553 nan 8.240 nan 0.000 0.488 179 G N 1.201 110.183 108.800 0.303 0.000 2.664 179 G HA2 0.471 4.431 3.960 -0.001 0.000 0.242 179 G HA3 0.471 4.431 3.960 -0.001 0.000 0.242 179 G C -0.620 174.446 174.900 0.276 0.000 1.225 179 G CA -0.312 45.021 45.100 0.387 0.000 0.849 179 G HN 0.366 nan 8.290 nan 0.000 0.581 180 L N 0.170 121.573 121.223 0.300 0.000 2.333 180 L HA 0.612 4.951 4.340 -0.001 0.000 0.269 180 L C 0.532 177.406 176.870 0.007 0.000 1.010 180 L CA -0.884 54.092 54.840 0.227 0.000 0.818 180 L CB 2.057 44.418 42.059 0.503 0.000 1.306 180 L HN 0.545 nan 8.230 nan 0.000 0.430 181 R N 1.034 121.504 120.500 -0.050 0.000 2.923 181 R HA 0.456 4.795 4.340 -0.001 0.000 0.252 181 R C 0.735 177.023 176.300 -0.019 0.000 1.130 181 R CA -1.095 54.906 56.100 -0.166 0.000 1.043 181 R CB 1.352 31.480 30.300 -0.288 0.000 1.205 181 R HN 0.416 nan 8.270 nan 0.000 0.495 182 I N 1.192 121.730 120.570 -0.054 0.000 2.151 182 I HA -0.336 3.833 4.170 -0.001 0.000 0.243 182 I C 2.614 178.723 176.117 -0.014 0.000 1.080 182 I CA 1.711 62.990 61.300 -0.035 0.000 1.339 182 I CB -1.193 36.782 38.000 -0.042 0.000 1.039 182 I HN 0.817 nan 8.210 nan 0.000 0.409 183 C N 0.007 119.308 119.300 0.001 0.000 2.422 183 C HA -0.125 4.335 4.460 -0.001 0.000 0.279 183 C C 2.207 177.221 174.990 0.041 0.000 1.305 183 C CA 0.452 59.481 59.018 0.020 0.000 1.757 183 C CB -1.557 26.200 27.740 0.028 0.000 1.962 183 C HN 0.430 nan 8.230 nan 0.000 0.499 184 D N 1.247 121.694 120.400 0.078 0.000 2.097 184 D HA -0.092 4.547 4.640 -0.001 0.000 0.197 184 D C 2.218 178.577 176.300 0.097 0.000 0.984 184 D CA 0.948 55.058 54.000 0.183 0.000 0.826 184 D CB -0.404 40.597 40.800 0.335 0.000 0.973 184 D HN 0.466 nan 8.370 nan 0.000 0.460 185 L N 0.073 121.223 121.223 -0.122 0.000 2.012 185 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 185 L C 1.448 178.172 176.870 -0.243 0.000 1.073 185 L CA 1.240 55.730 54.840 -0.582 0.000 0.748 185 L CB -0.073 41.768 42.059 -0.364 0.000 0.891 185 L HN 0.112 nan 8.230 nan 0.000 0.431 186 L N -0.846 120.327 121.223 -0.083 0.000 2.599 186 L HA 0.039 4.379 4.340 -0.001 0.000 0.230 186 L C 1.617 178.498 176.870 0.018 0.000 1.141 186 L CA 0.563 55.391 54.840 -0.019 0.000 0.877 186 L CB -0.458 41.598 42.059 -0.004 0.000 1.009 186 L HN 0.095 nan 8.230 nan 0.000 0.447 187 S N -1.142 114.578 115.700 0.034 0.000 2.481 187 S HA 0.091 4.561 4.470 -0.001 0.000 0.267 187 S C -0.201 174.461 174.600 0.103 0.000 1.174 187 S CA -0.668 57.572 58.200 0.068 0.000 1.027 187 S CB 0.470 63.720 63.200 0.084 0.000 1.117 187 S HN 0.328 nan 8.310 nan 0.000 0.495 188 D N 0.220 120.688 120.400 0.113 0.000 2.472 188 D HA 0.009 4.648 4.640 -0.001 0.000 0.248 188 D C 0.492 176.911 176.300 0.200 0.000 1.174 188 D CA 0.328 54.411 54.000 0.138 0.000 0.883 188 D CB 0.070 40.934 40.800 0.106 0.000 1.149 188 D HN 0.373 nan 8.370 nan 0.000 0.488 189 F N 2.962 122.960 119.950 0.081 0.000 2.325 189 F HA -0.070 4.457 4.527 -0.001 0.000 0.299 189 F C 1.652 177.554 175.800 0.170 0.000 1.090 189 F CA 0.986 59.061 58.000 0.125 0.000 1.392 189 F CB 0.199 39.228 39.000 0.050 0.000 1.053 189 F HN 0.425 nan 8.300 nan 0.000 0.521 190 D N 0.103 120.614 120.400 0.186 0.000 2.097 190 D HA -0.195 4.444 4.640 -0.001 0.000 0.197 190 D C 2.103 178.421 176.300 0.030 0.000 0.984 190 D CA 1.470 55.529 54.000 0.098 0.000 0.826 190 D CB -0.430 40.433 40.800 0.105 0.000 0.973 190 D HN 0.328 nan 8.370 nan 0.000 0.460 191 E N 0.323 120.558 120.200 0.058 0.000 2.051 191 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 191 E C 1.953 178.563 176.600 0.017 0.000 0.991 191 E CA 0.769 57.194 56.400 0.042 0.000 0.799 191 E CB -0.601 29.141 29.700 0.069 0.000 0.748 191 E HN 0.239 nan 8.360 nan 0.000 0.449 192 F N 0.852 120.729 119.950 -0.122 0.000 2.069 192 F HA -0.211 4.316 4.527 -0.001 0.000 0.298 192 F C 2.384 178.046 175.800 -0.230 0.000 1.113 192 F CA 2.055 59.951 58.000 -0.174 0.000 1.214 192 F CB -0.796 38.034 39.000 -0.284 0.000 0.978 192 F HN -0.004 nan 8.300 nan 0.000 0.474 193 S N 0.571 116.072 115.700 -0.332 0.000 2.365 193 S HA -0.288 4.181 4.470 -0.001 0.000 0.225 193 S C 2.291 176.777 174.600 -0.191 0.000 1.039 193 S CA 1.349 59.355 58.200 -0.323 0.000 1.033 193 S CB -1.074 61.989 63.200 -0.228 0.000 0.887 193 S HN 0.586 nan 8.310 nan 0.000 0.447 194 A N 1.717 124.457 122.820 -0.133 0.000 1.902 194 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 194 A C 2.176 179.681 177.584 -0.133 0.000 1.181 194 A CA 1.468 53.452 52.037 -0.089 0.000 0.623 194 A CB -0.462 18.512 19.000 -0.044 0.000 0.818 194 A HN 0.468 nan 8.150 nan 0.000 0.443 195 R N -2.059 118.331 120.500 -0.182 0.000 2.075 195 R HA -0.049 4.291 4.340 -0.001 0.000 0.232 195 R C 2.037 178.164 176.300 -0.287 0.000 1.126 195 R CA 1.422 57.406 56.100 -0.194 0.000 0.963 195 R CB -0.535 29.661 30.300 -0.172 0.000 0.858 195 R HN 0.570 nan 8.270 nan 0.000 0.435 196 F N 2.402 121.985 119.950 -0.612 0.000 2.095 196 F HA -0.238 4.289 4.527 -0.001 0.000 0.298 196 F C 2.366 177.875 175.800 -0.485 0.000 1.104 196 F CA 1.671 59.269 58.000 -0.671 0.000 1.232 196 F CB -0.088 38.399 39.000 -0.856 0.000 0.987 196 F HN -0.181 nan 8.300 nan 0.000 0.475 197 K N 0.257 120.457 120.400 -0.333 0.000 2.026 197 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 197 K C 2.113 178.339 176.600 -0.624 0.000 1.048 197 K CA 1.685 57.687 56.287 -0.474 0.000 0.929 197 K CB -0.359 32.014 32.500 -0.212 0.000 0.713 197 K HN 0.248 nan 8.250 nan 0.000 0.439 198 N N 1.016 119.527 118.700 -0.316 0.000 2.061 198 N HA -0.197 4.542 4.740 -0.001 0.000 0.193 198 N C 1.807 177.176 175.510 -0.234 0.000 1.030 198 N CA 1.258 54.206 53.050 -0.170 0.000 0.856 198 N CB -0.292 38.143 38.487 -0.085 0.000 1.023 198 N HN 0.157 nan 8.380 nan 0.000 0.424 199 L N 1.318 122.365 121.223 -0.292 0.000 2.131 199 L HA -0.039 4.300 4.340 -0.001 0.000 0.210 199 L C 2.155 178.762 176.870 -0.440 0.000 1.092 199 L CA 1.471 56.184 54.840 -0.212 0.000 0.759 199 L CB -0.843 41.144 42.059 -0.121 0.000 0.903 199 L HN 0.102 nan 8.230 nan 0.000 0.435 200 A N -1.325 120.950 122.820 -0.908 0.000 1.877 200 A HA -0.223 4.097 4.320 -0.001 0.000 0.216 200 A C 2.156 179.343 177.584 -0.662 0.000 1.186 200 A CA 1.679 52.965 52.037 -1.251 0.000 0.620 200 A CB -0.894 17.354 19.000 -1.254 0.000 0.822 200 A HN 0.639 nan 8.150 nan 0.000 0.443 201 H N -0.133 118.734 119.070 -0.338 0.000 2.387 201 H HA -0.104 4.452 4.556 -0.001 0.000 0.299 201 H C 2.176 177.423 175.328 -0.136 0.000 1.090 201 H CA 1.658 57.589 56.048 -0.196 0.000 1.332 201 H CB -0.516 29.160 29.762 -0.144 0.000 1.386 201 H HN 0.678 nan 8.280 nan 0.000 0.516 202 Q N 0.017 119.803 119.800 -0.022 0.000 2.096 202 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 202 Q C 1.922 177.884 176.000 -0.063 0.000 0.982 202 Q CA 1.496 57.268 55.803 -0.053 0.000 0.850 202 Q CB -0.161 28.525 28.738 -0.087 0.000 0.901 202 Q HN 0.649 nan 8.270 nan 0.000 0.422 203 H N -0.214 118.826 119.070 -0.049 0.000 2.495 203 H HA -0.004 4.551 4.556 -0.001 0.000 0.287 203 H C 1.472 176.917 175.328 0.195 0.000 1.033 203 H CA 0.812 56.938 56.048 0.130 0.000 1.307 203 H CB 0.234 29.978 29.762 -0.030 0.000 1.401 203 H HN 0.235 nan 8.280 nan 0.000 0.555 204 Q N -0.590 119.285 119.800 0.124 0.000 2.432 204 Q HA 0.017 4.357 4.340 -0.001 0.000 0.205 204 Q C 1.705 177.743 176.000 0.063 0.000 0.945 204 Q CA 0.625 56.489 55.803 0.102 0.000 0.924 204 Q CB 0.493 29.257 28.738 0.043 0.000 1.016 204 Q HN 0.348 nan 8.270 nan 0.000 0.503 205 S N 0.504 116.216 115.700 0.021 0.000 2.371 205 S HA -0.008 4.461 4.470 -0.001 0.000 0.221 205 S C 1.660 176.180 174.600 -0.133 0.000 1.036 205 S CA 0.586 58.757 58.200 -0.048 0.000 0.965 205 S CB 0.026 63.191 63.200 -0.059 0.000 0.845 205 S HN 0.354 nan 8.310 nan 0.000 0.475 206 M N 0.354 119.813 119.600 -0.235 0.000 2.595 206 M HA 0.218 4.697 4.480 -0.001 0.000 0.248 206 M C -1.035 174.621 176.300 -1.073 0.000 1.119 206 M CA 0.888 55.806 55.300 -0.636 0.000 1.079 206 M CB 0.221 32.355 32.600 -0.777 0.000 1.472 206 M HN 0.154 nan 8.290 nan 0.000 0.501 207 F N -0.176 119.783 119.950 0.014 0.000 2.971 207 F HA 0.359 4.885 4.527 -0.001 0.000 0.373 207 F C -1.929 173.885 175.800 0.023 0.000 1.288 207 F CA -1.789 56.230 58.000 0.032 0.000 1.204 207 F CB 0.257 39.296 39.000 0.066 0.000 1.852 207 F HN -0.065 nan 8.300 nan 0.000 0.624 208 P HA -0.168 nan 4.420 nan 0.000 0.219 208 P C 1.258 178.605 177.300 0.077 0.000 1.146 208 P CA 1.642 64.778 63.100 0.061 0.000 0.808 208 P CB -0.048 31.663 31.700 0.019 0.000 0.779 209 T N -3.593 111.022 114.554 0.101 0.000 3.219 209 T HA 0.159 4.509 4.350 -0.001 0.000 0.249 209 T C 0.733 175.491 174.700 0.095 0.000 1.099 209 T CA -0.375 61.777 62.100 0.086 0.000 0.988 209 T CB -0.677 68.240 68.868 0.082 0.000 0.999 209 T HN 0.003 nan 8.240 nan 0.000 0.550 210 L N 2.168 123.462 121.223 0.118 0.000 2.281 210 L HA 0.392 4.731 4.340 -0.001 0.000 0.285 210 L C -0.460 176.453 176.870 0.072 0.000 1.074 210 L CA -0.457 54.444 54.840 0.102 0.000 0.817 210 L CB 0.826 42.963 42.059 0.131 0.000 1.168 210 L HN 0.303 nan 8.230 nan 0.000 0.434 211 E N 5.611 125.851 120.200 0.067 0.000 2.200 211 E HA 0.403 4.753 4.350 -0.001 0.000 0.283 211 E C -1.171 175.471 176.600 0.069 0.000 1.015 211 E CA -0.453 55.984 56.400 0.061 0.000 0.819 211 E CB 1.926 31.662 29.700 0.061 0.000 1.081 211 E HN 0.390 nan 8.360 nan 0.000 0.397 212 I N 2.517 123.119 120.570 0.053 0.000 2.476 212 I HA 0.047 4.216 4.170 -0.001 0.000 0.281 212 I C -0.637 175.529 176.117 0.082 0.000 1.040 212 I CA -0.544 60.796 61.300 0.068 0.000 1.094 212 I CB 1.554 39.529 38.000 -0.042 0.000 1.219 212 I HN 0.371 nan 8.210 nan 0.000 0.450 213 D N 6.163 126.632 120.400 0.114 0.000 2.508 213 D HA 0.117 4.756 4.640 -0.001 0.000 0.224 213 D C 1.159 177.543 176.300 0.140 0.000 1.171 213 D CA 0.180 54.244 54.000 0.105 0.000 1.006 213 D CB 0.805 41.663 40.800 0.096 0.000 1.073 213 D HN 0.290 nan 8.370 nan 0.000 0.513 214 V N 3.117 123.112 119.914 0.135 0.000 2.282 214 V HA -0.253 3.866 4.120 -0.001 0.000 0.249 214 V C 2.265 178.445 176.094 0.145 0.000 1.057 214 V CA 1.580 63.998 62.300 0.196 0.000 1.032 214 V CB -0.416 31.474 31.823 0.112 0.000 0.645 214 V HN 0.394 nan 8.190 nan 0.000 0.447 215 E N 0.718 120.974 120.200 0.094 0.000 2.051 215 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 215 E C 2.306 178.939 176.600 0.054 0.000 0.991 215 E CA 1.476 57.917 56.400 0.069 0.000 0.799 215 E CB -1.040 28.695 29.700 0.057 0.000 0.748 215 E HN 0.536 nan 8.360 nan 0.000 0.449 216 G N 0.304 109.140 108.800 0.059 0.000 2.421 216 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.216 216 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.216 216 G C 1.449 176.377 174.900 0.046 0.000 1.171 216 G CA 0.840 45.969 45.100 0.048 0.000 0.775 216 G HN 0.266 nan 8.290 nan 0.000 0.543 217 Q N -0.335 119.507 119.800 0.070 0.000 2.084 217 Q HA 0.062 4.401 4.340 -0.001 0.000 0.202 217 Q C 2.671 178.614 176.000 -0.095 0.000 0.978 217 Q CA 0.768 56.599 55.803 0.047 0.000 0.844 217 Q CB -0.249 28.590 28.738 0.168 0.000 0.898 217 Q HN 0.415 nan 8.270 nan 0.000 0.426 218 L N 0.642 121.761 121.223 -0.175 0.000 2.046 218 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 218 L C 2.498 179.443 176.870 0.124 0.000 1.077 218 L CA 1.097 55.870 54.840 -0.112 0.000 0.747 218 L CB -0.224 41.799 42.059 -0.060 0.000 0.896 218 L HN 0.129 nan 8.230 nan 0.000 0.432 219 K N 0.420 120.850 120.400 0.050 0.000 2.032 219 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 219 K C 2.093 178.648 176.600 -0.076 0.000 1.048 219 K CA 1.611 57.895 56.287 -0.005 0.000 0.927 219 K CB -0.105 32.381 32.500 -0.023 0.000 0.712 219 K HN -0.040 nan 8.250 nan 0.000 0.441 220 R N 0.022 120.477 120.500 -0.074 0.000 2.081 220 R HA 0.019 4.358 4.340 -0.001 0.000 0.235 220 R C 2.301 178.495 176.300 -0.176 0.000 1.131 220 R CA 1.539 57.519 56.100 -0.201 0.000 0.960 220 R CB -0.509 29.749 30.300 -0.071 0.000 0.856 220 R HN 0.192 nan 8.270 nan 0.000 0.436 221 L N 0.357 121.657 121.223 0.127 0.000 2.079 221 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 221 L C 2.434 179.416 176.870 0.187 0.000 1.081 221 L CA 1.450 56.478 54.840 0.313 0.000 0.752 221 L CB -0.359 41.877 42.059 0.294 0.000 0.896 221 L HN 0.180 nan 8.230 nan 0.000 0.433 222 K N 0.035 120.466 120.400 0.052 0.000 2.097 222 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 222 K C 2.038 178.471 176.600 -0.278 0.000 1.049 222 K CA 1.290 57.364 56.287 -0.355 0.000 0.933 222 K CB -0.241 31.751 32.500 -0.847 0.000 0.717 222 K HN 0.334 nan 8.250 nan 0.000 0.442 223 G N 0.149 108.780 108.800 -0.283 0.000 2.408 223 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 223 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 223 G C 1.138 175.867 174.900 -0.285 0.000 1.150 223 G CA 0.430 45.328 45.100 -0.337 0.000 0.776 223 G HN 0.217 nan 8.290 nan 0.000 0.542 224 F N 1.859 121.736 119.950 -0.122 0.000 2.186 224 F HA 0.113 4.640 4.527 -0.001 0.000 0.299 224 F C 2.987 178.759 175.800 -0.047 0.000 1.090 224 F CA 0.319 58.264 58.000 -0.093 0.000 1.307 224 F CB -0.690 38.316 39.000 0.010 0.000 1.019 224 F HN 0.240 nan 8.300 nan 0.000 0.489 225 A N -0.019 122.869 122.820 0.113 0.000 1.917 225 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 225 A C 2.184 179.774 177.584 0.009 0.000 1.182 225 A CA 1.969 54.026 52.037 0.033 0.000 0.633 225 A CB -0.523 18.458 19.000 -0.032 0.000 0.819 225 A HN 0.275 nan 8.150 nan 0.000 0.448 226 E N -0.426 119.752 120.200 -0.038 0.000 2.216 226 E HA -0.049 4.300 4.350 -0.001 0.000 0.192 226 E C 2.113 178.701 176.600 -0.021 0.000 0.988 226 E CA 0.568 56.940 56.400 -0.047 0.000 0.834 226 E CB -0.333 29.313 29.700 -0.091 0.000 0.772 226 E HN 0.637 nan 8.360 nan 0.000 0.479 227 R N 0.048 120.540 120.500 -0.014 0.000 2.189 227 R HA 0.107 4.446 4.340 -0.001 0.000 0.218 227 R C 2.051 178.453 176.300 0.170 0.000 1.074 227 R CA 0.647 56.749 56.100 0.004 0.000 0.991 227 R CB 0.038 30.226 30.300 -0.186 0.000 0.883 227 R HN 0.148 nan 8.270 nan 0.000 0.457 228 I N -0.525 120.168 120.570 0.206 0.000 3.708 228 I HA -0.045 4.125 4.170 -0.001 0.000 0.302 228 I C 2.414 178.583 176.117 0.087 0.000 1.255 228 I CA -0.002 61.423 61.300 0.207 0.000 1.362 228 I CB 0.056 38.195 38.000 0.231 0.000 1.100 228 I HN 0.025 nan 8.210 nan 0.000 0.434 229 R N 2.158 122.689 120.500 0.052 0.000 2.112 229 R HA -0.192 4.148 4.340 -0.001 0.000 0.242 229 R C -0.504 175.807 176.300 0.017 0.000 1.137 229 R CA 2.265 58.379 56.100 0.023 0.000 0.944 229 R CB -1.278 29.025 30.300 0.005 0.000 0.857 229 R HN 0.214 nan 8.270 nan 0.000 0.435 230 P HA -0.152 nan 4.420 nan 0.000 0.222 230 P C 0.866 178.167 177.300 0.003 0.000 1.147 230 P CA 1.539 64.640 63.100 0.001 0.000 0.790 230 P CB -0.050 31.641 31.700 -0.015 0.000 0.780 231 M N -1.014 118.592 119.600 0.010 0.000 2.495 231 M HA 0.080 4.560 4.480 -0.001 0.000 0.237 231 M C 0.330 176.629 176.300 -0.001 0.000 1.131 231 M CA 0.146 55.448 55.300 0.004 0.000 1.032 231 M CB 0.330 32.941 32.600 0.018 0.000 1.513 231 M HN -0.300 nan 8.290 nan 0.000 0.488 232 V N 1.933 121.853 119.914 0.009 0.000 2.567 232 V HA 0.413 4.533 4.120 -0.001 0.000 0.289 232 V C 0.276 176.387 176.094 0.029 0.000 1.049 232 V CA -0.494 61.813 62.300 0.011 0.000 0.969 232 V CB 1.148 32.980 31.823 0.015 0.000 0.995 232 V HN 0.301 nan 8.190 nan 0.000 0.471 233 R N 1.372 121.901 120.500 0.048 0.000 2.764 233 R HA 0.326 4.665 4.340 -0.001 0.000 0.270 233 R C -1.070 175.316 176.300 0.143 0.000 1.014 233 R CA -0.871 55.285 56.100 0.093 0.000 0.904 233 R CB 1.605 31.950 30.300 0.075 0.000 1.236 233 R HN 0.814 nan 8.270 nan 0.000 0.466 234 D N 0.861 121.370 120.400 0.183 0.000 2.346 234 D HA 0.043 4.682 4.640 -0.001 0.000 0.260 234 D C 0.947 177.428 176.300 0.301 0.000 1.252 234 D CA 0.354 54.476 54.000 0.203 0.000 0.895 234 D CB 1.165 42.073 40.800 0.181 0.000 1.097 234 D HN 0.647 nan 8.370 nan 0.000 0.489 235 G N 3.218 112.202 108.800 0.307 0.000 2.418 235 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 235 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 235 G C 1.669 176.807 174.900 0.396 0.000 1.158 235 G CA 0.604 45.980 45.100 0.460 0.000 0.771 235 G HN 0.504 nan 8.290 nan 0.000 0.545 236 V N -0.080 120.013 119.914 0.300 0.000 2.255 236 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 236 V C 2.293 178.551 176.094 0.273 0.000 1.051 236 V CA 2.026 64.478 62.300 0.252 0.000 1.018 236 V CB -0.848 31.088 31.823 0.188 0.000 0.641 236 V HN 0.509 nan 8.190 nan 0.000 0.445 237 Y N -0.045 120.350 120.300 0.159 0.000 2.181 237 Y HA -0.311 4.238 4.550 -0.001 0.000 0.288 237 Y C 2.298 178.297 175.900 0.164 0.000 1.146 237 Y CA 2.030 60.218 58.100 0.147 0.000 1.164 237 Y CB -0.338 38.187 38.460 0.108 0.000 0.982 237 Y HN 0.245 nan 8.280 nan 0.000 0.515 238 F N 0.023 119.979 119.950 0.010 0.000 2.069 238 F HA -0.348 4.178 4.527 -0.001 0.000 0.298 238 F C 2.178 177.815 175.800 -0.272 0.000 1.113 238 F CA 1.984 59.876 58.000 -0.181 0.000 1.214 238 F CB -0.346 38.532 39.000 -0.205 0.000 0.978 238 F HN 0.044 nan 8.300 nan 0.000 0.474 239 M N -0.784 118.704 119.600 -0.187 0.000 2.132 239 M HA -0.200 4.280 4.480 -0.001 0.000 0.263 239 M C 2.174 178.366 176.300 -0.180 0.000 1.065 239 M CA 1.502 56.651 55.300 -0.250 0.000 1.122 239 M CB -1.505 31.092 32.600 -0.004 0.000 1.365 239 M HN 0.422 nan 8.290 nan 0.000 0.411 240 Y N 1.689 121.905 120.300 -0.140 0.000 2.165 240 Y HA -0.235 4.314 4.550 -0.001 0.000 0.286 240 Y C 2.214 178.048 175.900 -0.109 0.000 1.155 240 Y CA 1.807 59.875 58.100 -0.053 0.000 1.164 240 Y CB -0.079 38.352 38.460 -0.049 0.000 0.978 240 Y HN 0.221 nan 8.280 nan 0.000 0.513 241 E N 0.045 120.079 120.200 -0.277 0.000 2.150 241 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 241 E C 2.323 178.692 176.600 -0.385 0.000 0.985 241 E CA 1.026 57.202 56.400 -0.374 0.000 0.814 241 E CB -0.464 28.895 29.700 -0.568 0.000 0.752 241 E HN 0.588 nan 8.360 nan 0.000 0.466 242 A N 0.582 123.116 122.820 -0.476 0.000 2.014 242 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 242 A C 2.214 179.591 177.584 -0.345 0.000 1.163 242 A CA 0.636 52.407 52.037 -0.444 0.000 0.652 242 A CB -0.322 18.324 19.000 -0.591 0.000 0.808 242 A HN 0.157 nan 8.150 nan 0.000 0.449 243 L N -1.998 119.008 121.223 -0.363 0.000 2.446 243 L HA 0.043 4.383 4.340 -0.001 0.000 0.219 243 L C 1.509 178.009 176.870 -0.616 0.000 1.116 243 L CA 0.695 55.281 54.840 -0.423 0.000 0.844 243 L CB -0.127 41.687 42.059 -0.408 0.000 0.970 243 L HN 0.460 nan 8.230 nan 0.000 0.457 244 H N -1.461 117.349 119.070 -0.433 0.000 2.893 244 H HA 0.254 4.809 4.556 -0.001 0.000 0.270 244 H C 1.138 176.319 175.328 -0.245 0.000 1.095 244 H CA 0.133 55.956 56.048 -0.375 0.000 1.186 244 H CB 0.535 29.951 29.762 -0.577 0.000 1.562 244 H HN 0.172 nan 8.280 nan 0.000 0.536 245 G N 1.061 109.766 108.800 -0.158 0.000 2.630 245 G HA2 0.237 4.196 3.960 -0.001 0.000 0.223 245 G HA3 0.237 4.196 3.960 -0.001 0.000 0.223 245 G C -1.806 173.028 174.900 -0.110 0.000 1.434 245 G CA -1.119 43.912 45.100 -0.115 0.000 1.057 245 G HN 0.008 nan 8.290 nan 0.000 0.570 246 P HA 0.213 nan 4.420 nan 0.000 0.271 246 P C -2.465 174.776 177.300 -0.098 0.000 1.218 246 P CA -0.833 62.220 63.100 -0.079 0.000 0.780 246 P CB 0.129 31.792 31.700 -0.061 0.000 0.901 247 P HA -0.024 nan 4.420 nan 0.000 0.261 247 P C -0.415 176.831 177.300 -0.090 0.000 1.158 247 P CA 0.918 63.962 63.100 -0.093 0.000 0.758 247 P CB 0.456 32.114 31.700 -0.070 0.000 0.763 248 K N 2.326 122.664 120.400 -0.104 0.000 2.527 248 K HA 0.319 4.639 4.320 -0.001 0.000 0.260 248 K C -0.442 176.109 176.600 -0.080 0.000 0.937 248 K CA -0.889 55.342 56.287 -0.093 0.000 0.826 248 K CB 2.481 34.906 32.500 -0.124 0.000 1.359 248 K HN 0.257 nan 8.250 nan 0.000 0.434 249 K N 2.043 122.411 120.400 -0.053 0.000 2.263 249 K HA 0.274 4.593 4.320 -0.001 0.000 0.282 249 K C -0.736 175.846 176.600 -0.030 0.000 1.089 249 K CA -0.420 55.847 56.287 -0.033 0.000 0.907 249 K CB 1.029 33.523 32.500 -0.010 0.000 1.148 249 K HN 0.184 nan 8.250 nan 0.000 0.470 250 V N 4.923 124.816 119.914 -0.035 0.000 2.398 250 V HA 0.330 4.449 4.120 -0.001 0.000 0.286 250 V C -0.619 175.479 176.094 0.006 0.000 1.026 250 V CA -0.992 61.296 62.300 -0.021 0.000 0.868 250 V CB 1.324 33.118 31.823 -0.048 0.000 0.982 250 V HN 0.506 nan 8.190 nan 0.000 0.443 251 L N 6.351 127.590 121.223 0.027 0.000 2.346 251 L HA 0.748 5.088 4.340 -0.001 0.000 0.276 251 L C -0.578 176.323 176.870 0.051 0.000 1.006 251 L CA -0.101 54.761 54.840 0.037 0.000 0.817 251 L CB 2.015 44.094 42.059 0.033 0.000 1.272 251 L HN 0.428 nan 8.230 nan 0.000 0.421 252 V N 4.333 124.277 119.914 0.051 0.000 2.384 252 V HA 0.422 4.542 4.120 -0.001 0.000 0.287 252 V C -0.213 175.915 176.094 0.057 0.000 1.020 252 V CA -0.668 61.669 62.300 0.062 0.000 0.850 252 V CB 1.448 33.308 31.823 0.062 0.000 0.987 252 V HN 0.807 nan 8.190 nan 0.000 0.436 253 E N 3.506 123.738 120.200 0.053 0.000 2.081 253 E HA 0.516 4.865 4.350 -0.001 0.000 0.281 253 E C 0.455 177.101 176.600 0.075 0.000 0.986 253 E CA -0.364 56.072 56.400 0.061 0.000 0.796 253 E CB 1.141 30.864 29.700 0.039 0.000 1.085 253 E HN 0.863 nan 8.360 nan 0.000 0.398 254 G N 2.752 111.609 108.800 0.095 0.000 2.569 254 G HA2 0.474 4.433 3.960 -0.001 0.000 0.249 254 G HA3 0.474 4.433 3.960 -0.001 0.000 0.249 254 G C -0.689 174.293 174.900 0.136 0.000 1.216 254 G CA -0.060 45.100 45.100 0.100 0.000 0.845 254 G HN 0.597 nan 8.290 nan 0.000 0.568 255 A N 1.068 123.961 122.820 0.122 0.000 2.384 255 A HA 0.778 5.098 4.320 -0.001 0.000 0.312 255 A C 0.455 178.124 177.584 0.142 0.000 1.113 255 A CA -0.090 52.039 52.037 0.153 0.000 0.779 255 A CB 0.759 19.818 19.000 0.099 0.000 1.307 255 A HN 1.114 nan 8.150 nan 0.000 0.436 256 N N -0.886 117.913 118.700 0.165 0.000 1.191 256 N HA -0.024 4.715 4.740 -0.001 0.000 0.120 256 N C -0.121 175.459 175.510 0.117 0.000 0.826 256 N CA 1.721 54.855 53.050 0.140 0.000 0.876 256 N CB -0.850 37.714 38.487 0.128 0.000 1.050 256 N HN 2.202 nan 8.380 nan 0.000 0.603 257 A N -1.507 121.379 122.820 0.110 0.000 2.566 257 A HA 0.808 5.127 4.320 -0.001 0.000 0.290 257 A C 0.596 178.219 177.584 0.065 0.000 1.071 257 A CA 0.182 52.267 52.037 0.080 0.000 0.658 257 A CB 0.168 19.203 19.000 0.058 0.000 1.285 257 A HN 1.271 nan 8.150 nan 0.000 0.427 258 A N -0.178 122.663 122.820 0.035 0.000 1.903 258 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 258 A C 1.402 178.994 177.584 0.014 0.000 1.191 258 A CA 2.152 54.195 52.037 0.011 0.000 0.638 258 A CB -0.521 18.457 19.000 -0.037 0.000 0.823 258 A HN 0.947 nan 8.150 nan 0.000 0.451 259 L N -0.716 120.422 121.223 -0.141 0.000 2.627 259 L HA 0.182 4.522 4.340 -0.001 0.000 0.233 259 L C 1.374 178.317 176.870 0.122 0.000 1.144 259 L CA 0.858 55.579 54.840 -0.199 0.000 0.892 259 L CB -0.705 40.767 42.059 -0.979 0.000 1.039 259 L HN 0.424 nan 8.230 nan 0.000 0.442 260 L N -1.582 119.746 121.223 0.174 0.000 2.766 260 L HA 0.165 4.504 4.340 -0.001 0.000 0.242 260 L C 0.843 177.822 176.870 0.182 0.000 1.136 260 L CA -0.150 54.842 54.840 0.253 0.000 0.933 260 L CB 0.533 42.734 42.059 0.237 0.000 1.241 260 L HN 0.128 nan 8.230 nan 0.000 0.522 261 D N 1.213 121.715 120.400 0.171 0.000 2.493 261 D HA -0.090 4.550 4.640 -0.001 0.000 0.240 261 D C 1.215 177.583 176.300 0.113 0.000 1.142 261 D CA 0.112 54.201 54.000 0.148 0.000 0.872 261 D CB 1.538 42.482 40.800 0.239 0.000 1.173 261 D HN 0.035 nan 8.370 nan 0.000 0.467 262 I N 4.125 124.717 120.570 0.037 0.000 2.248 262 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 262 I C 1.544 177.644 176.117 -0.029 0.000 1.107 262 I CA 1.673 62.991 61.300 0.030 0.000 1.373 262 I CB 0.059 38.026 38.000 -0.056 0.000 1.055 262 I HN 0.439 nan 8.210 nan 0.000 0.418 263 D N -0.569 119.695 120.400 -0.228 0.000 2.202 263 D HA -0.050 4.590 4.640 -0.001 0.000 0.214 263 D C 1.844 177.833 176.300 -0.518 0.000 0.967 263 D CA 1.351 55.024 54.000 -0.545 0.000 0.871 263 D CB -0.080 40.069 40.800 -1.086 0.000 1.020 263 D HN 0.371 nan 8.370 nan 0.000 0.474 264 F N 1.278 121.291 119.950 0.105 0.000 2.754 264 F HA 0.247 4.773 4.527 -0.001 0.000 0.297 264 F C 1.758 177.739 175.800 0.302 0.000 1.122 264 F CA -0.335 57.786 58.000 0.203 0.000 1.400 264 F CB -0.394 38.653 39.000 0.079 0.000 1.117 264 F HN -0.184 nan 8.300 nan 0.000 0.587 265 G N -0.022 108.985 108.800 0.344 0.000 2.516 265 G HA2 0.269 4.228 3.960 -0.001 0.000 0.276 265 G HA3 0.269 4.228 3.960 -0.001 0.000 0.276 265 G C 0.283 175.424 174.900 0.402 0.000 1.390 265 G CA -0.087 45.218 45.100 0.341 0.000 1.050 265 G HN 0.166 nan 8.290 nan 0.000 0.519 266 T N -1.873 112.967 114.554 0.477 0.000 4.099 266 T HA 0.144 4.494 4.350 -0.001 0.000 0.223 266 T C 0.199 175.143 174.700 0.407 0.000 0.968 266 T CA -0.479 61.925 62.100 0.507 0.000 0.966 266 T CB -0.930 68.316 68.868 0.631 0.000 1.328 266 T HN 0.338 nan 8.240 nan 0.000 0.783 267 Y N 3.609 124.032 120.300 0.205 0.000 2.904 267 Y HA 0.100 4.649 4.550 -0.001 0.000 0.336 267 Y C -1.129 174.781 175.900 0.016 0.000 1.263 267 Y CA -1.465 56.680 58.100 0.075 0.000 1.547 267 Y CB 0.845 39.325 38.460 0.033 0.000 1.272 267 Y HN 0.271 nan 8.280 nan 0.000 0.596 268 P HA 0.009 nan 4.420 nan 0.000 0.257 268 P C -0.669 176.144 177.300 -0.811 0.000 1.281 268 P CA 0.419 62.683 63.100 -1.393 0.000 0.826 268 P CB -0.176 30.704 31.700 -1.367 0.000 1.237 269 F N 2.012 121.885 119.950 -0.129 0.000 2.640 269 F HA 0.186 4.712 4.527 -0.001 0.000 0.354 269 F C 1.105 176.941 175.800 0.059 0.000 1.213 269 F CA -0.511 57.469 58.000 -0.033 0.000 1.314 269 F CB -0.329 38.664 39.000 -0.012 0.000 1.679 269 F HN -0.179 nan 8.300 nan 0.000 0.622 270 V N -2.905 117.071 119.914 0.103 0.000 3.181 270 V HA 0.655 4.775 4.120 -0.001 0.000 0.307 270 V C -0.237 175.911 176.094 0.090 0.000 1.310 270 V CA -0.951 61.442 62.300 0.155 0.000 1.067 270 V CB 1.499 33.424 31.823 0.170 0.000 1.081 270 V HN 0.110 nan 8.190 nan 0.000 0.453 271 T N -0.463 114.152 114.554 0.102 0.000 2.881 271 T HA 0.395 4.745 4.350 -0.001 0.000 0.278 271 T C 0.851 175.563 174.700 0.019 0.000 0.982 271 T CA 0.370 62.512 62.100 0.070 0.000 0.989 271 T CB 1.391 70.311 68.868 0.087 0.000 1.058 271 T HN 0.909 nan 8.240 nan 0.000 0.529 272 S N 1.484 117.176 115.700 -0.013 0.000 2.671 272 S HA 0.203 4.672 4.470 -0.001 0.000 0.220 272 S C 0.438 174.762 174.600 -0.460 0.000 0.951 272 S CA -0.429 57.690 58.200 -0.134 0.000 0.932 272 S CB -0.314 62.874 63.200 -0.020 0.000 0.777 272 S HN 0.767 nan 8.310 nan 0.000 0.508 273 S N 0.718 116.200 115.700 -0.364 0.000 2.671 273 S HA 0.499 4.968 4.470 -0.001 0.000 0.299 273 S C -0.923 173.582 174.600 -0.158 0.000 1.116 273 S CA -1.138 56.800 58.200 -0.436 0.000 0.912 273 S CB 0.680 63.653 63.200 -0.378 0.000 1.130 273 S HN 0.178 nan 8.310 nan 0.000 0.501 274 N N 0.241 118.876 118.700 -0.109 0.000 2.406 274 N HA 0.291 5.030 4.740 -0.001 0.000 0.251 274 N C 0.090 175.622 175.510 0.037 0.000 1.069 274 N CA -0.452 52.597 53.050 -0.001 0.000 0.947 274 N CB 0.338 38.840 38.487 0.024 0.000 1.111 274 N HN 0.609 nan 8.380 nan 0.000 0.497 275 C N 0.442 119.783 119.300 0.068 0.000 2.618 275 C HA 0.025 4.485 4.460 -0.001 0.000 0.264 275 C C 1.487 176.520 174.990 0.072 0.000 1.334 275 C CA -0.299 58.764 59.018 0.075 0.000 1.731 275 C CB -1.822 25.971 27.740 0.088 0.000 1.852 275 C HN 0.716 nan 8.230 nan 0.000 0.566 276 T N -1.725 112.873 114.554 0.074 0.000 2.788 276 T HA 0.282 4.632 4.350 -0.001 0.000 0.280 276 T C 1.266 175.966 174.700 -0.000 0.000 0.984 276 T CA -0.155 61.953 62.100 0.012 0.000 0.972 276 T CB 0.991 69.832 68.868 -0.046 0.000 1.039 276 T HN -0.025 nan 8.240 nan 0.000 0.530 277 V N 1.449 121.330 119.914 -0.056 0.000 2.380 277 V HA -0.078 4.041 4.120 -0.001 0.000 0.251 277 V C 2.545 178.627 176.094 -0.021 0.000 1.063 277 V CA 2.792 65.067 62.300 -0.042 0.000 1.055 277 V CB -1.454 30.313 31.823 -0.093 0.000 0.657 277 V HN 1.119 nan 8.190 nan 0.000 0.455 278 G N -0.663 108.124 108.800 -0.022 0.000 2.450 278 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.220 278 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.220 278 G C 1.552 176.471 174.900 0.032 0.000 1.130 278 G CA 0.797 45.903 45.100 0.011 0.000 0.760 278 G HN 0.722 nan 8.290 nan 0.000 0.557 279 G N 0.256 109.080 108.800 0.040 0.000 2.470 279 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.220 279 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.220 279 G C 1.685 176.613 174.900 0.047 0.000 1.121 279 G CA 1.069 46.194 45.100 0.042 0.000 0.766 279 G HN 0.347 nan 8.290 nan 0.000 0.553 280 V N 0.475 120.415 119.914 0.043 0.000 2.307 280 V HA -0.204 3.915 4.120 -0.001 0.000 0.245 280 V C 3.011 179.142 176.094 0.062 0.000 1.045 280 V CA 1.766 64.098 62.300 0.053 0.000 1.024 280 V CB -0.803 31.043 31.823 0.040 0.000 0.651 280 V HN 0.487 nan 8.190 nan 0.000 0.449 281 C N 0.809 120.138 119.300 0.049 0.000 2.432 281 C HA -0.148 4.312 4.460 -0.001 0.000 0.277 281 C C 3.171 178.202 174.990 0.067 0.000 1.249 281 C CA 1.788 60.839 59.018 0.056 0.000 1.725 281 C CB -1.337 26.427 27.740 0.039 0.000 2.028 281 C HN 0.769 nan 8.230 nan 0.000 0.477 282 T N -1.299 113.290 114.554 0.059 0.000 2.951 282 T HA 0.028 4.377 4.350 -0.001 0.000 0.268 282 T C 1.778 176.524 174.700 0.076 0.000 1.073 282 T CA 1.678 63.815 62.100 0.062 0.000 1.134 282 T CB -0.500 68.395 68.868 0.045 0.000 0.884 282 T HN 0.525 nan 8.240 nan 0.000 0.479 283 G N 0.520 109.367 108.800 0.078 0.000 2.777 283 G HA2 0.305 4.265 3.960 -0.001 0.000 0.211 283 G HA3 0.305 4.265 3.960 -0.001 0.000 0.211 283 G C 1.282 176.248 174.900 0.110 0.000 1.149 283 G CA 0.109 45.260 45.100 0.085 0.000 0.785 283 G HN 0.540 nan 8.290 nan 0.000 0.536 284 L N -1.255 120.050 121.223 0.136 0.000 2.803 284 L HA 0.341 4.680 4.340 -0.001 0.000 0.246 284 L C 1.675 178.665 176.870 0.199 0.000 1.100 284 L CA 0.415 55.377 54.840 0.204 0.000 0.919 284 L CB 0.556 42.741 42.059 0.211 0.000 1.285 284 L HN 0.243 nan 8.230 nan 0.000 0.522 285 G N 2.386 111.275 108.800 0.148 0.000 2.142 285 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.225 285 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.225 285 G C 0.027 175.010 174.900 0.138 0.000 1.015 285 G CA 0.298 45.482 45.100 0.140 0.000 0.716 285 G HN 0.231 nan 8.290 nan 0.000 0.508 286 I N -1.775 118.866 120.570 0.119 0.000 2.562 286 I HA 0.834 5.004 4.170 -0.001 0.000 0.301 286 I C -2.277 173.890 176.117 0.083 0.000 1.003 286 I CA -3.489 57.876 61.300 0.109 0.000 1.127 286 I CB 1.203 39.252 38.000 0.083 0.000 1.304 286 I HN -0.035 nan 8.210 nan 0.000 0.446 287 P HA 0.335 nan 4.420 nan 0.000 0.276 287 P C -2.295 175.026 177.300 0.035 0.000 1.244 287 P CA -1.358 61.778 63.100 0.061 0.000 0.801 287 P CB 0.417 32.163 31.700 0.076 0.000 1.006 288 P HA -0.188 nan 4.420 nan 0.000 0.218 288 P C 1.306 178.601 177.300 -0.007 0.000 1.146 288 P CA 1.603 64.703 63.100 0.000 0.000 0.813 288 P CB -0.079 31.616 31.700 -0.009 0.000 0.778 289 Q N -0.031 119.770 119.800 0.002 0.000 2.482 289 Q HA -0.037 4.303 4.340 -0.001 0.000 0.209 289 Q C 0.455 176.442 176.000 -0.021 0.000 0.961 289 Q CA 0.972 56.770 55.803 -0.008 0.000 0.945 289 Q CB -1.108 27.632 28.738 0.003 0.000 1.012 289 Q HN 0.296 nan 8.270 nan 0.000 0.515 290 N N 0.333 119.022 118.700 -0.018 0.000 2.251 290 N HA 0.304 5.043 4.740 -0.001 0.000 0.217 290 N C -0.751 174.733 175.510 -0.043 0.000 1.124 290 N CA -0.061 52.961 53.050 -0.046 0.000 0.843 290 N CB 0.639 39.100 38.487 -0.043 0.000 1.024 290 N HN 0.193 nan 8.380 nan 0.000 0.501 291 I N 0.153 120.702 120.570 -0.035 0.000 2.339 291 I HA 0.352 4.521 4.170 -0.001 0.000 0.290 291 I C 1.107 177.195 176.117 -0.049 0.000 0.994 291 I CA -0.655 60.622 61.300 -0.038 0.000 1.191 291 I CB 1.573 39.554 38.000 -0.031 0.000 1.343 291 I HN 0.081 nan 8.210 nan 0.000 0.458 292 G N 4.878 113.643 108.800 -0.059 0.000 3.380 292 G HA2 0.106 4.066 3.960 -0.001 0.000 0.188 292 G HA3 0.106 4.066 3.960 -0.001 0.000 0.188 292 G C -0.136 174.708 174.900 -0.094 0.000 1.892 292 G CA -0.218 44.844 45.100 -0.063 0.000 0.912 292 G HN 0.463 nan 8.290 nan 0.000 0.609 293 D N 0.438 120.754 120.400 -0.141 0.000 2.424 293 D HA 0.355 4.994 4.640 -0.001 0.000 0.244 293 D C -0.419 175.635 176.300 -0.410 0.000 1.134 293 D CA 0.354 54.175 54.000 -0.298 0.000 0.881 293 D CB 1.930 42.472 40.800 -0.430 0.000 1.191 293 D HN -0.079 nan 8.370 nan 0.000 0.445 294 V N 3.960 123.661 119.914 -0.356 0.000 2.380 294 V HA 0.139 4.258 4.120 -0.001 0.000 0.286 294 V C -0.882 175.169 176.094 -0.072 0.000 1.015 294 V CA -0.824 61.377 62.300 -0.165 0.000 0.834 294 V CB 0.454 32.291 31.823 0.023 0.000 1.009 294 V HN 0.319 nan 8.190 nan 0.000 0.428 295 Y N 2.131 122.533 120.300 0.170 0.000 2.320 295 Y HA 0.656 5.206 4.550 -0.001 0.000 0.334 295 Y C 0.976 176.829 175.900 -0.078 0.000 1.055 295 Y CA -1.069 57.087 58.100 0.094 0.000 1.143 295 Y CB 1.638 40.177 38.460 0.131 0.000 1.193 295 Y HN 0.641 nan 8.280 nan 0.000 0.477 296 G N 2.764 111.353 108.800 -0.352 0.000 2.356 296 G HA2 0.455 4.414 3.960 -0.001 0.000 0.312 296 G HA3 0.455 4.414 3.960 -0.001 0.000 0.312 296 G C -0.963 173.659 174.900 -0.463 0.000 1.096 296 G CA -0.524 43.942 45.100 -1.056 0.000 0.950 296 G HN 0.476 nan 8.290 nan 0.000 0.428 297 V N 3.245 123.024 119.914 -0.226 0.000 2.455 297 V HA 0.202 4.321 4.120 -0.001 0.000 0.273 297 V C 0.116 176.134 176.094 -0.127 0.000 1.045 297 V CA -0.337 61.885 62.300 -0.130 0.000 0.976 297 V CB 1.099 32.869 31.823 -0.088 0.000 0.993 297 V HN 0.437 nan 8.190 nan 0.000 0.475 298 V N 5.611 125.470 119.914 -0.092 0.000 2.376 298 V HA 0.343 4.462 4.120 -0.001 0.000 0.287 298 V C 0.191 176.279 176.094 -0.010 0.000 1.015 298 V CA -0.961 61.310 62.300 -0.047 0.000 0.834 298 V CB 1.538 33.341 31.823 -0.033 0.000 1.001 298 V HN 0.841 nan 8.190 nan 0.000 0.428 299 K N 2.928 123.304 120.400 -0.040 0.000 2.350 299 K HA 0.426 4.745 4.320 -0.001 0.000 0.279 299 K C 1.404 178.005 176.600 0.002 0.000 1.027 299 K CA 0.317 56.547 56.287 -0.096 0.000 0.969 299 K CB 1.365 33.695 32.500 -0.283 0.000 0.954 299 K HN 0.798 nan 8.250 nan 0.000 0.474 300 A N 4.194 127.078 122.820 0.105 0.000 2.093 300 A HA -0.157 4.162 4.320 -0.001 0.000 0.222 300 A C 0.139 178.002 177.584 0.465 0.000 1.162 300 A CA 1.412 53.667 52.037 0.364 0.000 0.655 300 A CB -0.669 18.585 19.000 0.422 0.000 0.805 300 A HN 0.732 nan 8.150 nan 0.000 0.461 301 Y N -4.233 116.220 120.300 0.255 0.000 2.669 301 Y HA 0.720 5.269 4.550 -0.001 0.000 0.335 301 Y C -0.282 175.772 175.900 0.258 0.000 1.116 301 Y CA -1.340 56.919 58.100 0.266 0.000 1.081 301 Y CB 0.316 38.873 38.460 0.162 0.000 1.297 301 Y HN -0.181 nan 8.280 nan 0.000 0.484 302 T N 1.766 116.575 114.554 0.424 0.000 2.867 302 T HA 0.673 5.022 4.350 -0.001 0.000 0.282 302 T C -0.425 174.552 174.700 0.460 0.000 1.000 302 T CA -0.354 61.989 62.100 0.404 0.000 1.042 302 T CB 1.246 70.495 68.868 0.635 0.000 0.973 302 T HN 0.941 nan 8.240 nan 0.000 0.465 303 T N -0.193 114.479 114.554 0.196 0.000 2.843 303 T HA 0.826 5.175 4.350 -0.001 0.000 0.302 303 T C -1.269 173.310 174.700 -0.201 0.000 1.232 303 T CA -1.307 60.826 62.100 0.055 0.000 1.009 303 T CB 2.071 70.989 68.868 0.083 0.000 1.254 303 T HN 0.925 nan 8.240 nan 0.000 0.504 304 R N -0.293 120.007 120.500 -0.332 0.000 2.633 304 R HA 0.697 5.037 4.340 -0.001 0.000 0.255 304 R C -2.341 173.819 176.300 -0.234 0.000 1.106 304 R CA -1.052 54.825 56.100 -0.371 0.000 0.959 304 R CB 1.569 31.283 30.300 -0.978 0.000 1.259 304 R HN 0.687 nan 8.270 nan 0.000 0.453 305 V N 3.401 123.243 119.914 -0.121 0.000 2.409 305 V HA 0.914 5.033 4.120 -0.001 0.000 0.291 305 V C -0.026 176.035 176.094 -0.055 0.000 1.020 305 V CA 0.979 63.244 62.300 -0.058 0.000 0.848 305 V CB 0.833 32.661 31.823 0.009 0.000 0.990 305 V HN 1.292 nan 8.190 nan 0.000 0.430 306 G N 6.278 115.039 108.800 -0.065 0.000 2.343 306 G HA2 0.091 4.050 3.960 -0.001 0.000 0.465 306 G HA3 0.091 4.050 3.960 -0.001 0.000 0.465 306 G C -1.214 173.622 174.900 -0.107 0.000 1.282 306 G CA -0.557 44.518 45.100 -0.043 0.000 0.996 306 G HN 0.734 nan 8.290 nan 0.000 0.521 307 I N 1.045 121.563 120.570 -0.086 0.000 2.764 307 I HA 0.681 4.851 4.170 -0.001 0.000 0.294 307 I C 1.259 177.080 176.117 -0.493 0.000 1.045 307 I CA 1.182 62.319 61.300 -0.271 0.000 1.340 307 I CB 0.246 38.100 38.000 -0.243 0.000 1.436 307 I HN 2.191 nan 8.210 nan 0.000 0.567 308 G N 2.445 110.787 108.800 -0.763 0.000 2.402 308 G HA2 0.367 4.327 3.960 -0.001 0.000 0.666 308 G HA3 0.367 4.327 3.960 -0.001 0.000 0.666 308 G C -0.750 173.933 174.900 -0.363 0.000 1.402 308 G CA -0.460 44.235 45.100 -0.674 0.000 0.920 308 G HN 0.886 nan 8.290 nan 0.000 0.651 309 A N 0.440 123.150 122.820 -0.183 0.000 2.531 309 A HA 0.545 4.864 4.320 -0.001 0.000 0.236 309 A C -0.221 177.349 177.584 -0.025 0.000 1.062 309 A CA 0.670 52.678 52.037 -0.048 0.000 0.760 309 A CB 0.231 19.263 19.000 0.054 0.000 0.995 309 A HN 1.964 nan 8.150 nan 0.000 0.501 310 F N 4.803 124.657 119.950 -0.161 0.000 3.167 310 F HA 0.426 4.952 4.527 -0.001 0.000 0.389 310 F C -2.479 173.330 175.800 0.015 0.000 1.233 310 F CA -2.456 55.455 58.000 -0.150 0.000 1.238 310 F CB 1.167 40.000 39.000 -0.279 0.000 1.971 310 F HN 0.348 nan 8.300 nan 0.000 0.651 311 P HA -0.163 nan 4.420 nan 0.000 0.216 311 P C 1.494 178.856 177.300 0.103 0.000 1.157 311 P CA 2.422 65.569 63.100 0.078 0.000 0.880 311 P CB 0.161 31.797 31.700 -0.107 0.000 0.791 312 T N -4.096 110.590 114.554 0.220 0.000 3.144 312 T HA 0.071 4.420 4.350 -0.001 0.000 0.249 312 T C 0.555 175.124 174.700 -0.218 0.000 1.089 312 T CA -0.367 61.889 62.100 0.259 0.000 0.989 312 T CB -0.809 68.395 68.868 0.561 0.000 0.992 312 T HN 0.128 nan 8.240 nan 0.000 0.540 313 E N 1.906 121.578 120.200 -0.879 0.000 2.529 313 E HA -0.052 4.298 4.350 -0.001 0.000 0.259 313 E C -0.454 175.845 176.600 -0.502 0.000 0.966 313 E CA 0.191 55.865 56.400 -1.210 0.000 0.937 313 E CB 0.336 29.376 29.700 -1.100 0.000 0.923 313 E HN 0.291 nan 8.360 nan 0.000 0.468 314 Q N 4.800 124.328 119.800 -0.452 0.000 2.413 314 Q HA 0.300 4.639 4.340 -0.001 0.000 0.258 314 Q C -0.531 175.318 176.000 -0.251 0.000 1.037 314 Q CA -0.325 55.282 55.803 -0.327 0.000 0.764 314 Q CB 1.047 29.503 28.738 -0.470 0.000 1.217 314 Q HN 0.576 nan 8.270 nan 0.000 0.490 315 I N 3.766 124.227 120.570 -0.183 0.000 2.318 315 I HA 0.152 4.321 4.170 -0.001 0.000 0.285 315 I C -0.195 175.852 176.117 -0.116 0.000 1.127 315 I CA -0.216 61.001 61.300 -0.137 0.000 1.243 315 I CB -0.274 37.660 38.000 -0.109 0.000 1.498 315 I HN 0.517 nan 8.210 nan 0.000 0.535 316 N N 1.325 119.946 118.700 -0.132 0.000 3.496 316 N HA 0.037 4.776 4.740 -0.001 0.000 0.331 316 N C 0.412 175.846 175.510 -0.127 0.000 1.532 316 N CA -0.857 52.126 53.050 -0.110 0.000 0.863 316 N CB 0.409 38.837 38.487 -0.098 0.000 1.927 316 N HN 0.088 nan 8.380 nan 0.000 0.529 317 E N -0.688 119.446 120.200 -0.109 0.000 2.085 317 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 317 E C 1.022 177.529 176.600 -0.156 0.000 0.994 317 E CA 1.819 58.152 56.400 -0.112 0.000 0.801 317 E CB -0.168 29.481 29.700 -0.085 0.000 0.743 317 E HN 0.494 nan 8.360 nan 0.000 0.453 318 I N 0.764 121.222 120.570 -0.186 0.000 2.315 318 I HA -0.095 4.074 4.170 -0.001 0.000 0.248 318 I C 2.400 178.298 176.117 -0.365 0.000 1.117 318 I CA 1.448 62.577 61.300 -0.285 0.000 1.404 318 I CB -1.341 36.457 38.000 -0.337 0.000 1.071 318 I HN 0.227 nan 8.210 nan 0.000 0.419 319 G N 0.448 109.054 108.800 -0.323 0.000 2.421 319 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.216 319 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.216 319 G C 1.343 176.091 174.900 -0.253 0.000 1.171 319 G CA 0.898 45.816 45.100 -0.304 0.000 0.775 319 G HN 0.334 nan 8.290 nan 0.000 0.543 320 D N 0.174 120.450 120.400 -0.206 0.000 2.144 320 D HA -0.087 4.553 4.640 -0.001 0.000 0.199 320 D C 2.370 178.550 176.300 -0.200 0.000 0.984 320 D CA 0.503 54.395 54.000 -0.180 0.000 0.834 320 D CB -0.247 40.474 40.800 -0.131 0.000 0.955 320 D HN 0.248 nan 8.370 nan 0.000 0.465 321 L N 0.713 121.806 121.223 -0.216 0.000 2.027 321 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 321 L C 2.216 178.918 176.870 -0.279 0.000 1.074 321 L CA 1.309 56.018 54.840 -0.218 0.000 0.745 321 L CB -0.570 41.359 42.059 -0.216 0.000 0.898 321 L HN -0.021 nan 8.230 nan 0.000 0.433 322 L N -1.003 119.994 121.223 -0.377 0.000 2.017 322 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 322 L C 2.678 179.318 176.870 -0.383 0.000 1.073 322 L CA 1.379 55.894 54.840 -0.542 0.000 0.745 322 L CB -0.876 40.761 42.059 -0.704 0.000 0.894 322 L HN 0.399 nan 8.230 nan 0.000 0.432 323 Q N 0.712 120.333 119.800 -0.298 0.000 2.030 323 Q HA -0.266 4.074 4.340 -0.001 0.000 0.204 323 Q C 1.969 177.752 176.000 -0.362 0.000 0.986 323 Q CA 2.042 57.664 55.803 -0.303 0.000 0.843 323 Q CB -0.446 28.099 28.738 -0.323 0.000 0.904 323 Q HN 0.499 nan 8.270 nan 0.000 0.420 324 N N 0.435 118.964 118.700 -0.285 0.000 2.080 324 N HA -0.144 4.595 4.740 -0.001 0.000 0.189 324 N C 1.805 177.255 175.510 -0.101 0.000 1.036 324 N CA 1.234 54.166 53.050 -0.197 0.000 0.846 324 N CB -0.055 38.365 38.487 -0.112 0.000 1.015 324 N HN 0.230 nan 8.380 nan 0.000 0.423 325 R N -0.573 119.862 120.500 -0.108 0.000 2.148 325 R HA 0.007 4.346 4.340 -0.001 0.000 0.227 325 R C 1.964 178.271 176.300 0.013 0.000 1.103 325 R CA 1.085 57.156 56.100 -0.049 0.000 0.983 325 R CB -0.252 29.990 30.300 -0.096 0.000 0.874 325 R HN 0.230 nan 8.270 nan 0.000 0.451 326 G N -0.709 108.087 108.800 -0.007 0.000 3.042 326 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.212 326 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.212 326 G C -0.042 174.973 174.900 0.192 0.000 1.166 326 G CA -0.229 44.955 45.100 0.140 0.000 0.767 326 G HN 0.459 nan 8.290 nan 0.000 0.546 327 H N 0.701 119.771 119.070 -0.001 0.000 2.677 327 H HA -0.119 4.436 4.556 -0.001 0.000 0.321 327 H C -0.560 174.774 175.328 0.010 0.000 1.171 327 H CA 0.882 56.992 56.048 0.103 0.000 1.139 327 H CB -1.149 28.745 29.762 0.219 0.000 1.515 327 H HN 0.272 nan 8.280 nan 0.000 0.423 328 E N 1.117 121.177 120.200 -0.234 0.000 1.775 328 E HA 0.047 4.396 4.350 -0.001 0.000 0.266 328 E C 0.101 176.454 176.600 -0.412 0.000 1.191 328 E CA 0.275 56.551 56.400 -0.206 0.000 1.048 328 E CB -0.228 29.366 29.700 -0.177 0.000 1.081 328 E HN 0.288 nan 8.360 nan 0.000 0.434 329 W N 0.580 121.952 121.300 0.120 0.000 2.957 329 W HA 0.325 4.985 4.660 -0.001 0.000 0.336 329 W C 0.501 177.082 176.519 0.103 0.000 1.087 329 W CA -1.350 56.044 57.345 0.081 0.000 1.235 329 W CB 1.929 31.416 29.460 0.046 0.000 1.399 329 W HN 0.327 nan 8.180 nan 0.000 0.480 330 G N 1.657 110.627 108.800 0.284 0.000 2.272 330 G HA2 0.213 4.173 3.960 -0.001 0.000 0.247 330 G HA3 0.213 4.173 3.960 -0.001 0.000 0.247 330 G C 0.866 175.895 174.900 0.214 0.000 1.272 330 G CA 0.052 45.274 45.100 0.204 0.000 0.921 330 G HN 0.583 nan 8.290 nan 0.000 0.495 331 V N 1.182 121.214 119.914 0.197 0.000 2.809 331 V HA -0.058 4.061 4.120 -0.001 0.000 0.256 331 V C 2.149 178.388 176.094 0.242 0.000 1.080 331 V CA 2.264 64.679 62.300 0.192 0.000 1.102 331 V CB -0.701 31.205 31.823 0.139 0.000 0.705 331 V HN 0.545 nan 8.190 nan 0.000 0.475 332 T N 1.387 116.087 114.554 0.244 0.000 2.894 332 T HA -0.041 4.308 4.350 -0.001 0.000 0.258 332 T C 1.879 176.626 174.700 0.078 0.000 1.043 332 T CA 2.167 64.383 62.100 0.193 0.000 1.141 332 T CB -0.189 68.781 68.868 0.171 0.000 0.873 332 T HN 0.851 nan 8.240 nan 0.000 0.449 333 T N -2.207 112.403 114.554 0.093 0.000 3.018 333 T HA 0.445 4.795 4.350 -0.001 0.000 0.246 333 T C 1.869 176.615 174.700 0.076 0.000 1.026 333 T CA 1.044 63.183 62.100 0.065 0.000 1.081 333 T CB 0.199 69.106 68.868 0.064 0.000 0.970 333 T HN 0.466 nan 8.240 nan 0.000 0.475 334 G N 1.871 110.744 108.800 0.122 0.000 2.194 334 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.236 334 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.236 334 G C 0.257 175.285 174.900 0.215 0.000 0.987 334 G CA -0.124 45.055 45.100 0.132 0.000 0.635 334 G HN 0.706 nan 8.290 nan 0.000 0.520 335 R N 0.790 121.399 120.500 0.183 0.000 2.698 335 R HA 0.273 4.613 4.340 -0.001 0.000 0.266 335 R C 0.767 177.235 176.300 0.279 0.000 1.026 335 R CA 0.243 56.456 56.100 0.188 0.000 1.102 335 R CB 0.429 30.794 30.300 0.108 0.000 0.978 335 R HN 0.231 nan 8.270 nan 0.000 0.436 336 K N 3.053 123.597 120.400 0.240 0.000 2.322 336 K HA 0.050 4.369 4.320 -0.001 0.000 0.283 336 K C -0.245 176.334 176.600 -0.035 0.000 1.042 336 K CA -0.015 56.310 56.287 0.063 0.000 0.958 336 K CB 0.613 33.135 32.500 0.037 0.000 0.984 336 K HN 0.408 nan 8.250 nan 0.000 0.473 337 R N 3.137 123.562 120.500 -0.126 0.000 2.490 337 R HA 0.183 4.523 4.340 -0.001 0.000 0.278 337 R C -0.099 176.175 176.300 -0.044 0.000 1.069 337 R CA -0.415 55.650 56.100 -0.059 0.000 1.080 337 R CB 0.846 31.123 30.300 -0.038 0.000 1.030 337 R HN 0.515 nan 8.270 nan 0.000 0.491 338 R N 1.057 121.572 120.500 0.024 0.000 2.441 338 R HA 0.276 4.616 4.340 -0.001 0.000 0.284 338 R C -0.540 175.942 176.300 0.303 0.000 1.070 338 R CA -0.279 55.900 56.100 0.132 0.000 1.047 338 R CB 0.707 31.137 30.300 0.217 0.000 1.016 338 R HN 0.517 nan 8.270 nan 0.000 0.477 339 C N 0.987 120.421 119.300 0.223 0.000 2.667 339 C HA 0.948 5.408 4.460 -0.001 0.000 0.323 339 C C 0.525 175.530 174.990 0.026 0.000 1.214 339 C CA -0.477 58.686 59.018 0.242 0.000 1.721 339 C CB 1.823 29.587 27.740 0.039 0.000 2.275 339 C HN 0.997 nan 8.230 nan 0.000 0.491 340 G N -0.371 108.503 108.800 0.123 0.000 2.495 340 G HA2 0.541 4.500 3.960 -0.001 0.000 0.294 340 G HA3 0.541 4.500 3.960 -0.001 0.000 0.294 340 G C -1.788 173.151 174.900 0.066 0.000 1.397 340 G CA -0.744 44.251 45.100 -0.174 0.000 0.790 340 G HN 0.712 nan 8.290 nan 0.000 0.486 341 W N -0.612 120.817 121.300 0.215 0.000 2.079 341 W HA 0.491 5.151 4.660 -0.001 0.000 0.354 341 W C 0.874 177.631 176.519 0.397 0.000 1.302 341 W CA -0.451 57.065 57.345 0.285 0.000 1.281 341 W CB 0.478 30.091 29.460 0.255 0.000 1.165 341 W HN 0.434 nan 8.180 nan 0.000 0.603 342 L N 2.612 124.243 121.223 0.681 0.000 2.483 342 L HA 0.023 4.362 4.340 -0.001 0.000 0.276 342 L C -0.152 177.009 176.870 0.484 0.000 1.213 342 L CA 0.877 56.023 54.840 0.511 0.000 0.843 342 L CB 0.097 42.427 42.059 0.452 0.000 1.107 342 L HN 0.295 nan 8.230 nan 0.000 0.487 343 D N 3.961 124.604 120.400 0.404 0.000 2.469 343 D HA 0.183 4.822 4.640 -0.001 0.000 0.251 343 D C 0.702 177.145 176.300 0.238 0.000 1.173 343 D CA -0.313 53.910 54.000 0.372 0.000 0.882 343 D CB 0.965 42.062 40.800 0.495 0.000 1.129 343 D HN 0.597 nan 8.370 nan 0.000 0.549 344 L N 2.598 123.927 121.223 0.177 0.000 2.217 344 L HA -0.103 4.236 4.340 -0.001 0.000 0.211 344 L C 2.346 179.254 176.870 0.064 0.000 1.107 344 L CA 0.484 55.394 54.840 0.116 0.000 0.783 344 L CB -0.274 41.849 42.059 0.107 0.000 0.919 344 L HN 0.443 nan 8.230 nan 0.000 0.442 345 M N 0.395 119.987 119.600 -0.014 0.000 2.082 345 M HA -0.214 4.266 4.480 -0.001 0.000 0.258 345 M C 2.517 178.844 176.300 0.045 0.000 1.069 345 M CA 2.045 57.282 55.300 -0.105 0.000 1.102 345 M CB -0.921 31.270 32.600 -0.681 0.000 1.336 345 M HN 0.345 nan 8.290 nan 0.000 0.404 346 I N -1.989 118.620 120.570 0.066 0.000 2.439 346 I HA -0.163 4.006 4.170 -0.001 0.000 0.251 346 I C 2.034 178.120 176.117 -0.050 0.000 1.139 346 I CA 1.407 62.624 61.300 -0.139 0.000 1.438 346 I CB -0.927 36.935 38.000 -0.229 0.000 1.085 346 I HN 0.130 nan 8.210 nan 0.000 0.427 347 L N 0.201 121.450 121.223 0.043 0.000 2.109 347 L HA -0.023 4.317 4.340 -0.001 0.000 0.207 347 L C 2.808 179.765 176.870 0.146 0.000 1.086 347 L CA 1.227 56.128 54.840 0.102 0.000 0.760 347 L CB -0.517 41.605 42.059 0.105 0.000 0.910 347 L HN 0.163 nan 8.230 nan 0.000 0.437 348 R N -1.379 119.192 120.500 0.119 0.000 2.115 348 R HA -0.167 4.172 4.340 -0.001 0.000 0.226 348 R C 2.214 178.577 176.300 0.105 0.000 1.100 348 R CA 1.148 57.329 56.100 0.135 0.000 0.980 348 R CB -0.302 30.064 30.300 0.110 0.000 0.875 348 R HN 0.256 nan 8.270 nan 0.000 0.445 349 Y N 1.090 121.350 120.300 -0.066 0.000 2.184 349 Y HA -0.097 4.453 4.550 -0.001 0.000 0.290 349 Y C 2.221 178.001 175.900 -0.200 0.000 1.129 349 Y CA 1.104 59.117 58.100 -0.145 0.000 1.144 349 Y CB -0.462 37.813 38.460 -0.309 0.000 0.995 349 Y HN 0.009 nan 8.280 nan 0.000 0.513 350 A N -0.426 122.277 122.820 -0.195 0.000 1.908 350 A HA -0.296 4.024 4.320 -0.001 0.000 0.218 350 A C 2.095 179.409 177.584 -0.450 0.000 1.181 350 A CA 2.171 54.045 52.037 -0.271 0.000 0.627 350 A CB -1.367 17.663 19.000 0.050 0.000 0.818 350 A HN 0.717 nan 8.150 nan 0.000 0.445 351 H N -0.701 118.151 119.070 -0.364 0.000 2.389 351 H HA 0.036 4.592 4.556 -0.001 0.000 0.299 351 H C 1.880 176.920 175.328 -0.479 0.000 1.081 351 H CA 1.965 57.694 56.048 -0.530 0.000 1.345 351 H CB -0.304 29.411 29.762 -0.077 0.000 1.393 351 H HN 0.435 nan 8.280 nan 0.000 0.520 352 M N -0.974 118.343 119.600 -0.472 0.000 2.213 352 M HA -0.138 4.341 4.480 -0.001 0.000 0.263 352 M C 1.932 177.887 176.300 -0.574 0.000 1.062 352 M CA 1.211 56.221 55.300 -0.483 0.000 1.105 352 M CB 0.212 32.621 32.600 -0.318 0.000 1.385 352 M HN 0.186 nan 8.290 nan 0.000 0.417 353 V N -0.293 119.196 119.914 -0.708 0.000 2.685 353 V HA -0.086 4.034 4.120 -0.001 0.000 0.244 353 V C 1.628 177.337 176.094 -0.643 0.000 1.054 353 V CA 1.166 63.004 62.300 -0.769 0.000 1.076 353 V CB -0.430 30.752 31.823 -1.068 0.000 0.725 353 V HN 0.421 nan 8.190 nan 0.000 0.467 354 N N 0.396 118.672 118.700 -0.707 0.000 2.405 354 N HA 0.084 4.824 4.740 -0.001 0.000 0.175 354 N C 1.488 176.660 175.510 -0.563 0.000 1.051 354 N CA 1.004 53.666 53.050 -0.648 0.000 0.899 354 N CB 0.259 38.233 38.487 -0.855 0.000 1.000 354 N HN 0.490 nan 8.380 nan 0.000 0.451 355 G N 1.602 110.009 108.800 -0.654 0.000 2.350 355 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.298 355 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.298 355 G C -0.207 174.648 174.900 -0.075 0.000 1.037 355 G CA -0.247 44.596 45.100 -0.428 0.000 1.074 355 G HN 0.315 nan 8.290 nan 0.000 0.511 356 F N 0.039 120.147 119.950 0.265 0.000 2.629 356 F HA 0.172 4.698 4.527 -0.001 0.000 0.377 356 F C 2.217 178.117 175.800 0.166 0.000 1.101 356 F CA 0.510 58.628 58.000 0.196 0.000 1.301 356 F CB 0.642 39.742 39.000 0.168 0.000 1.062 356 F HN 0.284 nan 8.300 nan 0.000 0.583 357 T N 0.043 114.774 114.554 0.296 0.000 3.035 357 T HA 0.489 4.839 4.350 -0.001 0.000 0.259 357 T C 0.421 175.283 174.700 0.271 0.000 1.078 357 T CA 0.418 62.638 62.100 0.201 0.000 1.132 357 T CB 0.218 69.138 68.868 0.086 0.000 0.900 357 T HN 0.696 nan 8.240 nan 0.000 0.480 358 A N 0.168 123.215 122.820 0.378 0.000 2.610 358 A HA 0.726 5.046 4.320 -0.001 0.000 0.291 358 A C -1.693 176.053 177.584 0.270 0.000 1.086 358 A CA -1.051 51.206 52.037 0.367 0.000 0.677 358 A CB 0.864 20.157 19.000 0.489 0.000 1.278 358 A HN 0.309 nan 8.150 nan 0.000 0.414 359 L N 0.071 121.360 121.223 0.109 0.000 2.319 359 L HA 0.845 5.184 4.340 -0.001 0.000 0.267 359 L C 0.228 177.138 176.870 0.067 0.000 1.011 359 L CA -0.924 53.919 54.840 0.004 0.000 0.818 359 L CB 2.178 44.201 42.059 -0.059 0.000 1.316 359 L HN 0.921 nan 8.230 nan 0.000 0.432 360 A N 2.373 125.223 122.820 0.050 0.000 2.363 360 A HA 0.579 4.898 4.320 -0.001 0.000 0.296 360 A C -1.154 176.465 177.584 0.058 0.000 1.237 360 A CA -0.369 51.739 52.037 0.118 0.000 0.773 360 A CB 0.879 19.916 19.000 0.062 0.000 1.153 360 A HN 0.493 nan 8.150 nan 0.000 0.473 361 L N 4.072 125.355 121.223 0.099 0.000 2.268 361 L HA 0.514 4.854 4.340 -0.001 0.000 0.289 361 L C 0.761 177.698 176.870 0.110 0.000 1.064 361 L CA 0.513 55.417 54.840 0.107 0.000 0.824 361 L CB 0.656 42.806 42.059 0.152 0.000 1.202 361 L HN 0.754 nan 8.230 nan 0.000 0.433 362 T N 0.643 115.239 114.554 0.071 0.000 2.936 362 T HA 0.429 4.778 4.350 -0.001 0.000 0.282 362 T C 0.443 175.196 174.700 0.089 0.000 1.003 362 T CA -0.735 61.400 62.100 0.058 0.000 1.005 362 T CB 1.094 69.961 68.868 -0.002 0.000 1.097 362 T HN 0.562 nan 8.240 nan 0.000 0.532 363 K N -0.279 120.181 120.400 0.100 0.000 3.016 363 K HA -0.170 4.149 4.320 -0.001 0.000 0.262 363 K C 0.869 177.616 176.600 0.244 0.000 1.043 363 K CA 0.495 56.882 56.287 0.166 0.000 0.761 363 K CB -1.489 31.119 32.500 0.180 0.000 1.230 363 K HN 0.609 nan 8.250 nan 0.000 0.485 364 L N 1.575 122.925 121.223 0.213 0.000 2.127 364 L HA -0.206 4.133 4.340 -0.001 0.000 0.211 364 L C 2.214 179.261 176.870 0.295 0.000 1.089 364 L CA 2.416 57.407 54.840 0.252 0.000 0.757 364 L CB -0.180 41.978 42.059 0.166 0.000 0.899 364 L HN 0.369 nan 8.230 nan 0.000 0.434 365 D N -0.829 119.702 120.400 0.219 0.000 2.263 365 D HA -0.241 4.398 4.640 -0.001 0.000 0.208 365 D C 2.047 178.443 176.300 0.161 0.000 0.971 365 D CA 1.080 55.205 54.000 0.209 0.000 0.867 365 D CB -0.368 40.514 40.800 0.137 0.000 0.929 365 D HN 0.396 nan 8.370 nan 0.000 0.492 366 I N 0.896 121.556 120.570 0.149 0.000 2.454 366 I HA -0.190 3.979 4.170 -0.001 0.000 0.254 366 I C 2.263 178.342 176.117 -0.063 0.000 1.156 366 I CA 0.862 62.186 61.300 0.040 0.000 1.433 366 I CB -0.188 37.845 38.000 0.055 0.000 1.082 366 I HN 0.030 nan 8.210 nan 0.000 0.432 367 L N -0.267 120.949 121.223 -0.011 0.000 2.591 367 L HA 0.029 4.369 4.340 -0.001 0.000 0.228 367 L C 1.356 177.963 176.870 -0.438 0.000 1.133 367 L CA 0.010 54.723 54.840 -0.211 0.000 0.880 367 L CB -0.585 41.344 42.059 -0.217 0.000 1.033 367 L HN 0.138 nan 8.230 nan 0.000 0.450 368 D N 0.778 121.087 120.400 -0.152 0.000 2.271 368 D HA -0.144 4.495 4.640 -0.001 0.000 0.207 368 D C 2.026 178.117 176.300 -0.349 0.000 0.983 368 D CA 1.457 55.347 54.000 -0.184 0.000 0.878 368 D CB 0.204 41.065 40.800 0.101 0.000 0.920 368 D HN 0.387 nan 8.370 nan 0.000 0.479 369 V N -2.177 117.566 119.914 -0.285 0.000 3.621 369 V HA 0.224 4.343 4.120 -0.001 0.000 0.285 369 V C 0.718 176.657 176.094 -0.259 0.000 1.346 369 V CA -0.249 61.912 62.300 -0.231 0.000 1.104 369 V CB -0.423 31.312 31.823 -0.146 0.000 0.913 369 V HN -0.083 nan 8.190 nan 0.000 0.432 370 L N 1.137 122.149 121.223 -0.353 0.000 2.319 370 L HA 0.364 4.704 4.340 -0.001 0.000 0.280 370 L C 1.563 178.256 176.870 -0.296 0.000 1.099 370 L CA -0.029 54.644 54.840 -0.278 0.000 0.828 370 L CB 1.418 43.334 42.059 -0.238 0.000 1.150 370 L HN 0.120 nan 8.230 nan 0.000 0.442 371 S N 1.611 117.200 115.700 -0.185 0.000 2.402 371 S HA -0.089 4.381 4.470 -0.001 0.000 0.229 371 S C 0.427 174.936 174.600 -0.151 0.000 1.021 371 S CA 0.910 59.018 58.200 -0.153 0.000 0.974 371 S CB -0.116 63.024 63.200 -0.101 0.000 0.800 371 S HN 0.806 nan 8.310 nan 0.000 0.484 372 E N -0.331 119.781 120.200 -0.145 0.000 2.367 372 E HA 0.643 4.993 4.350 -0.001 0.000 0.273 372 E C -1.537 174.950 176.600 -0.188 0.000 0.903 372 E CA -0.850 55.454 56.400 -0.159 0.000 0.764 372 E CB 1.455 31.065 29.700 -0.151 0.000 1.252 372 E HN 0.096 nan 8.360 nan 0.000 0.446 373 I N 1.889 122.312 120.570 -0.246 0.000 2.478 373 I HA 0.338 4.508 4.170 -0.001 0.000 0.287 373 I C -0.504 175.298 176.117 -0.525 0.000 1.042 373 I CA -0.866 60.260 61.300 -0.289 0.000 1.067 373 I CB 1.871 39.807 38.000 -0.107 0.000 1.233 373 I HN 0.369 nan 8.210 nan 0.000 0.431 374 K N 4.875 124.505 120.400 -1.283 0.000 2.110 374 K HA 0.725 5.044 4.320 -0.001 0.000 0.263 374 K C -0.893 175.436 176.600 -0.452 0.000 0.975 374 K CA -0.755 54.886 56.287 -1.076 0.000 0.895 374 K CB 2.809 34.218 32.500 -1.818 0.000 1.060 374 K HN 0.384 nan 8.250 nan 0.000 0.448 375 V N 0.002 119.889 119.914 -0.045 0.000 2.668 375 V HA 0.559 4.678 4.120 -0.001 0.000 0.304 375 V C -0.400 175.885 176.094 0.319 0.000 1.071 375 V CA -0.520 61.917 62.300 0.230 0.000 0.894 375 V CB 1.625 33.503 31.823 0.092 0.000 1.008 375 V HN 0.830 nan 8.190 nan 0.000 0.425 376 G N 4.882 113.887 108.800 0.342 0.000 2.361 376 G HA2 0.441 4.400 3.960 -0.001 0.000 0.260 376 G HA3 0.441 4.400 3.960 -0.001 0.000 0.260 376 G C 0.517 175.469 174.900 0.087 0.000 1.261 376 G CA 0.211 45.345 45.100 0.056 0.000 0.897 376 G HN 1.587 nan 8.290 nan 0.000 0.499 377 I N 0.130 120.719 120.570 0.032 0.000 4.187 377 I HA 0.398 4.568 4.170 -0.001 0.000 0.326 377 I C 0.620 176.734 176.117 -0.005 0.000 1.302 377 I CA 0.040 61.379 61.300 0.064 0.000 1.196 377 I CB 0.446 38.523 38.000 0.128 0.000 1.095 377 I HN 0.490 nan 8.210 nan 0.000 0.411 378 S N -0.592 115.077 115.700 -0.050 0.000 2.595 378 S HA 0.534 5.003 4.470 -0.001 0.000 0.270 378 S C -1.687 172.931 174.600 0.030 0.000 1.145 378 S CA -0.693 57.455 58.200 -0.087 0.000 0.825 378 S CB 1.253 64.441 63.200 -0.021 0.000 1.107 378 S HN 0.124 nan 8.310 nan 0.000 0.461 379 Y N 1.105 121.399 120.300 -0.010 0.000 2.352 379 Y HA 0.618 5.168 4.550 -0.001 0.000 0.339 379 Y C 0.419 176.295 175.900 -0.040 0.000 0.992 379 Y CA -1.341 56.740 58.100 -0.032 0.000 1.100 379 Y CB 1.494 39.935 38.460 -0.031 0.000 1.192 379 Y HN 0.638 nan 8.280 nan 0.000 0.458 380 K N 3.152 123.623 120.400 0.119 0.000 2.182 380 K HA 0.585 4.905 4.320 -0.001 0.000 0.262 380 K C -1.434 175.180 176.600 0.023 0.000 0.957 380 K CA -1.041 55.276 56.287 0.049 0.000 0.842 380 K CB 2.113 34.632 32.500 0.031 0.000 1.099 380 K HN 0.414 nan 8.250 nan 0.000 0.438 381 L N 3.816 125.043 121.223 0.007 0.000 2.349 381 L HA 0.330 4.670 4.340 -0.001 0.000 0.278 381 L C -0.456 176.411 176.870 -0.006 0.000 0.996 381 L CA 0.049 54.884 54.840 -0.008 0.000 0.825 381 L CB 0.970 43.019 42.059 -0.017 0.000 1.243 381 L HN 0.629 nan 8.230 nan 0.000 0.412 382 N N 4.348 123.044 118.700 -0.006 0.000 2.721 382 N HA -0.231 4.509 4.740 -0.001 0.000 0.249 382 N C 0.982 176.493 175.510 0.001 0.000 1.072 382 N CA 1.280 54.329 53.050 -0.002 0.000 0.710 382 N CB -0.982 37.503 38.487 -0.004 0.000 0.993 382 N HN 1.217 nan 8.380 nan 0.000 0.547 383 G N -1.851 106.951 108.800 0.004 0.000 2.199 383 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.254 383 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.254 383 G C 0.048 174.952 174.900 0.006 0.000 0.982 383 G CA 0.973 46.078 45.100 0.007 0.000 0.632 383 G HN 0.474 nan 8.290 nan 0.000 0.529 384 K N 0.644 121.045 120.400 0.002 0.000 2.270 384 K HA 0.644 4.964 4.320 -0.001 0.000 0.255 384 K C 0.450 177.048 176.600 -0.004 0.000 0.936 384 K CA -0.736 55.550 56.287 -0.002 0.000 0.809 384 K CB 1.189 33.684 32.500 -0.009 0.000 1.131 384 K HN 0.276 nan 8.250 nan 0.000 0.427 385 R N 2.493 122.990 120.500 -0.004 0.000 2.570 385 R HA 0.141 4.480 4.340 -0.001 0.000 0.277 385 R C 0.427 176.705 176.300 -0.038 0.000 1.039 385 R CA -0.106 55.991 56.100 -0.006 0.000 1.065 385 R CB -0.206 30.090 30.300 -0.007 0.000 0.964 385 R HN 0.642 nan 8.270 nan 0.000 0.428 386 I N 1.252 121.796 120.570 -0.044 0.000 2.612 386 I HA 0.291 4.460 4.170 -0.001 0.000 0.295 386 I C -1.341 174.670 176.117 -0.177 0.000 1.011 386 I CA -2.054 59.170 61.300 -0.127 0.000 1.326 386 I CB 1.176 39.111 38.000 -0.108 0.000 1.427 386 I HN 0.493 nan 8.210 nan 0.000 0.537 387 P HA 0.025 nan 4.420 nan 0.000 0.227 387 P C -0.538 176.668 177.300 -0.156 0.000 1.161 387 P CA 1.218 64.151 63.100 -0.278 0.000 0.788 387 P CB -0.030 31.476 31.700 -0.323 0.000 0.822 388 Y N -4.406 115.931 120.300 0.062 0.000 2.670 388 Y HA 0.543 5.093 4.550 -0.001 0.000 0.334 388 Y C -0.596 175.372 175.900 0.112 0.000 1.185 388 Y CA -2.085 56.076 58.100 0.102 0.000 1.053 388 Y CB -0.039 38.495 38.460 0.123 0.000 1.298 388 Y HN -0.338 nan 8.280 nan 0.000 0.459 389 F N 5.262 125.342 119.950 0.216 0.000 2.578 389 F HA 0.304 4.830 4.527 -0.001 0.000 0.381 389 F C -1.954 173.915 175.800 0.114 0.000 1.069 389 F CA -1.826 56.192 58.000 0.030 0.000 1.231 389 F CB 0.619 39.371 39.000 -0.414 0.000 1.086 389 F HN 0.279 nan 8.300 nan 0.000 0.564 390 P HA 0.171 nan 4.420 nan 0.000 0.279 390 P C -0.534 176.781 177.300 0.025 0.000 1.239 390 P CA -0.198 62.896 63.100 -0.010 0.000 0.789 390 P CB 1.566 33.215 31.700 -0.086 0.000 0.933 391 A N 3.231 126.120 122.820 0.114 0.000 1.929 391 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 391 A C 1.295 178.951 177.584 0.120 0.000 1.176 391 A CA 0.829 52.944 52.037 0.131 0.000 0.628 391 A CB -0.757 18.309 19.000 0.109 0.000 0.816 391 A HN 0.632 nan 8.150 nan 0.000 0.444 392 N N 0.873 119.626 118.700 0.088 0.000 2.415 392 N HA 0.013 4.752 4.740 -0.001 0.000 0.250 392 N C 0.717 176.276 175.510 0.082 0.000 1.127 392 N CA -0.041 53.064 53.050 0.091 0.000 0.945 392 N CB 0.645 39.172 38.487 0.068 0.000 1.196 392 N HN 0.425 nan 8.380 nan 0.000 0.499 393 Q N 2.325 122.208 119.800 0.140 0.000 2.297 393 Q HA -0.157 4.183 4.340 -0.001 0.000 0.208 393 Q C 0.280 176.337 176.000 0.096 0.000 0.981 393 Q CA 1.202 57.094 55.803 0.148 0.000 0.876 393 Q CB 0.446 29.348 28.738 0.272 0.000 0.921 393 Q HN 0.593 nan 8.270 nan 0.000 0.446 394 E N 0.450 120.704 120.200 0.091 0.000 2.072 394 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 394 E C 2.040 178.648 176.600 0.013 0.000 0.985 394 E CA 0.594 57.029 56.400 0.058 0.000 0.801 394 E CB -0.300 29.438 29.700 0.064 0.000 0.750 394 E HN 0.439 nan 8.360 nan 0.000 0.452 395 I N 0.727 121.298 120.570 0.002 0.000 2.264 395 I HA -0.270 3.899 4.170 -0.001 0.000 0.248 395 I C 2.270 178.343 176.117 -0.073 0.000 1.111 395 I CA 0.476 61.760 61.300 -0.028 0.000 1.382 395 I CB -0.038 37.947 38.000 -0.025 0.000 1.060 395 I HN 0.074 nan 8.210 nan 0.000 0.418 396 L N 0.182 121.349 121.223 -0.093 0.000 2.353 396 L HA -0.214 4.125 4.340 -0.001 0.000 0.220 396 L C 2.276 179.067 176.870 -0.132 0.000 1.133 396 L CA 1.713 56.453 54.840 -0.166 0.000 0.798 396 L CB -0.617 41.360 42.059 -0.136 0.000 0.922 396 L HN 0.268 nan 8.230 nan 0.000 0.445 397 Q N -0.667 119.091 119.800 -0.070 0.000 2.331 397 Q HA -0.081 4.259 4.340 -0.001 0.000 0.203 397 Q C 1.702 177.664 176.000 -0.064 0.000 0.944 397 Q CA 0.859 56.627 55.803 -0.059 0.000 0.892 397 Q CB 0.201 28.919 28.738 -0.034 0.000 0.983 397 Q HN 0.559 nan 8.270 nan 0.000 0.482 398 K N 0.398 120.759 120.400 -0.066 0.000 2.353 398 K HA 0.088 4.407 4.320 -0.001 0.000 0.195 398 K C 0.896 177.456 176.600 -0.067 0.000 1.031 398 K CA -0.026 56.229 56.287 -0.053 0.000 1.079 398 K CB 0.698 33.177 32.500 -0.034 0.000 0.857 398 K HN 0.018 nan 8.250 nan 0.000 0.535 399 V N 0.245 120.091 119.914 -0.114 0.000 3.096 399 V HA 0.120 4.239 4.120 -0.001 0.000 0.306 399 V C -0.160 175.873 176.094 -0.102 0.000 1.088 399 V CA -0.453 61.772 62.300 -0.125 0.000 1.129 399 V CB 1.062 32.734 31.823 -0.253 0.000 1.014 399 V HN 0.132 nan 8.190 nan 0.000 0.486 400 E N 2.065 122.236 120.200 -0.048 0.000 2.165 400 E HA 0.527 4.876 4.350 -0.001 0.000 0.266 400 E C -1.190 175.409 176.600 -0.002 0.000 0.889 400 E CA -0.818 55.574 56.400 -0.014 0.000 0.756 400 E CB 1.997 31.702 29.700 0.009 0.000 1.131 400 E HN 0.768 nan 8.360 nan 0.000 0.411 401 V N 4.234 124.128 119.914 -0.033 0.000 2.555 401 V HA 0.058 4.177 4.120 -0.001 0.000 0.286 401 V C 0.392 176.326 176.094 -0.266 0.000 1.044 401 V CA -0.025 62.194 62.300 -0.135 0.000 1.026 401 V CB 1.090 32.699 31.823 -0.356 0.000 0.981 401 V HN 0.707 nan 8.190 nan 0.000 0.480 402 E N 4.104 124.196 120.200 -0.181 0.000 2.167 402 E HA 0.326 4.676 4.350 -0.001 0.000 0.284 402 E C -1.554 174.927 176.600 -0.198 0.000 1.016 402 E CA -0.462 55.873 56.400 -0.107 0.000 0.817 402 E CB 0.615 30.308 29.700 -0.011 0.000 1.080 402 E HN 0.624 nan 8.360 nan 0.000 0.397 403 Y N 2.195 122.516 120.300 0.035 0.000 2.457 403 Y HA 0.297 4.846 4.550 -0.001 0.000 0.333 403 Y C 0.156 176.032 175.900 -0.040 0.000 1.119 403 Y CA -0.842 57.245 58.100 -0.022 0.000 1.143 403 Y CB 1.690 40.080 38.460 -0.117 0.000 1.230 403 Y HN 0.520 nan 8.280 nan 0.000 0.469 404 E N 0.653 120.924 120.200 0.118 0.000 2.187 404 E HA 0.396 4.745 4.350 -0.001 0.000 0.268 404 E C -1.342 175.193 176.600 -0.108 0.000 0.896 404 E CA -0.674 55.744 56.400 0.030 0.000 0.766 404 E CB 1.091 30.842 29.700 0.085 0.000 1.142 404 E HN 0.623 nan 8.360 nan 0.000 0.408 405 T N 5.175 119.657 114.554 -0.121 0.000 2.753 405 T HA 0.344 4.694 4.350 -0.001 0.000 0.297 405 T C 0.001 174.604 174.700 -0.161 0.000 0.981 405 T CA -0.437 61.544 62.100 -0.199 0.000 0.956 405 T CB 0.082 68.843 68.868 -0.178 0.000 0.936 405 T HN 0.329 nan 8.240 nan 0.000 0.463 406 L N 5.496 126.604 121.223 -0.193 0.000 2.360 406 L HA 0.520 4.859 4.340 -0.001 0.000 0.271 406 L C -1.853 174.985 176.870 -0.055 0.000 1.057 406 L CA -2.589 52.184 54.840 -0.110 0.000 0.803 406 L CB 0.923 42.908 42.059 -0.124 0.000 1.207 406 L HN 0.328 nan 8.230 nan 0.000 0.445 407 P HA 0.118 nan 4.420 nan 0.000 0.275 407 P C -0.350 176.972 177.300 0.037 0.000 1.227 407 P CA -0.168 62.938 63.100 0.010 0.000 0.781 407 P CB 1.098 32.823 31.700 0.042 0.000 0.906 408 G N 1.257 110.010 108.800 -0.077 0.000 2.528 408 G HA2 0.299 4.258 3.960 -0.001 0.000 0.289 408 G HA3 0.299 4.258 3.960 -0.001 0.000 0.289 408 G C 0.034 174.903 174.900 -0.051 0.000 1.192 408 G CA -0.849 44.100 45.100 -0.252 0.000 0.921 408 G HN 0.698 nan 8.290 nan 0.000 0.512 409 W N -1.907 119.359 121.300 -0.057 0.000 3.013 409 W HA 0.408 5.068 4.660 -0.001 0.000 0.280 409 W C 0.758 177.251 176.519 -0.044 0.000 1.249 409 W CA -0.751 56.565 57.345 -0.048 0.000 1.577 409 W CB 0.081 29.508 29.460 -0.055 0.000 1.057 409 W HN 0.388 nan 8.180 nan 0.000 0.613 410 K N 1.570 121.801 120.400 -0.282 0.000 3.777 410 K HA -0.032 4.287 4.320 -0.001 0.000 0.276 410 K C -0.162 176.438 176.600 0.000 0.000 0.877 410 K CA 0.880 57.067 56.287 -0.168 0.000 0.724 410 K CB -1.660 30.773 32.500 -0.112 0.000 1.589 410 K HN 0.445 nan 8.250 nan 0.000 0.444 411 A N 1.053 123.937 122.820 0.107 0.000 2.604 411 A HA 0.370 4.689 4.320 -0.001 0.000 0.295 411 A C -1.432 176.273 177.584 0.202 0.000 1.067 411 A CA -0.906 51.228 52.037 0.161 0.000 0.683 411 A CB 1.522 20.639 19.000 0.195 0.000 1.281 411 A HN 0.240 nan 8.150 nan 0.000 0.407 412 D N 1.406 121.876 120.400 0.116 0.000 2.317 412 D HA 0.374 5.014 4.640 -0.001 0.000 0.252 412 D C 1.213 177.570 176.300 0.095 0.000 1.174 412 D CA 0.857 54.918 54.000 0.102 0.000 0.866 412 D CB 1.115 41.948 40.800 0.056 0.000 1.127 412 D HN 0.588 nan 8.370 nan 0.000 0.467 413 T N -0.929 113.691 114.554 0.110 0.000 3.044 413 T HA -0.016 4.334 4.350 -0.001 0.000 0.260 413 T C 1.585 176.307 174.700 0.037 0.000 1.019 413 T CA 0.414 62.541 62.100 0.045 0.000 0.921 413 T CB -0.271 68.600 68.868 0.004 0.000 1.053 413 T HN 0.366 nan 8.240 nan 0.000 0.533 414 T N -0.853 113.733 114.554 0.053 0.000 2.897 414 T HA 0.030 4.380 4.350 -0.001 0.000 0.271 414 T C 2.064 176.783 174.700 0.031 0.000 1.084 414 T CA 1.224 63.351 62.100 0.045 0.000 1.123 414 T CB -0.851 68.044 68.868 0.046 0.000 0.865 414 T HN 0.461 nan 8.240 nan 0.000 0.496 415 G N 0.782 109.596 108.800 0.023 0.000 2.939 415 G HA2 0.492 4.451 3.960 -0.001 0.000 0.210 415 G HA3 0.492 4.451 3.960 -0.001 0.000 0.210 415 G C 0.606 175.513 174.900 0.011 0.000 1.160 415 G CA 0.001 45.112 45.100 0.017 0.000 0.770 415 G HN 0.842 nan 8.290 nan 0.000 0.543 416 A N 0.461 123.283 122.820 0.003 0.000 2.540 416 A HA 0.519 4.839 4.320 -0.001 0.000 0.239 416 A C 1.241 178.833 177.584 0.014 0.000 1.061 416 A CA 0.083 52.115 52.037 -0.008 0.000 0.758 416 A CB 0.413 19.391 19.000 -0.037 0.000 0.991 416 A HN 0.200 nan 8.150 nan 0.000 0.502 417 R N 0.542 121.055 120.500 0.020 0.000 2.521 417 R HA 0.133 4.473 4.340 -0.001 0.000 0.289 417 R C -0.149 176.183 176.300 0.054 0.000 0.936 417 R CA 0.589 56.712 56.100 0.038 0.000 1.089 417 R CB 0.210 30.530 30.300 0.032 0.000 1.348 417 R HN 0.917 nan 8.270 nan 0.000 0.536 418 K N -1.567 118.866 120.400 0.055 0.000 2.509 418 K HA 0.178 4.498 4.320 -0.001 0.000 0.266 418 K C 0.441 177.115 176.600 0.124 0.000 0.987 418 K CA -0.928 55.416 56.287 0.094 0.000 0.868 418 K CB 1.063 33.611 32.500 0.081 0.000 1.421 418 K HN -0.154 nan 8.250 nan 0.000 0.444 419 W N 1.851 123.140 121.300 -0.019 0.000 2.318 419 W HA -0.228 4.431 4.660 -0.001 0.000 0.313 419 W C 0.569 177.070 176.519 -0.029 0.000 1.221 419 W CA 2.385 59.714 57.345 -0.026 0.000 1.266 419 W CB 0.071 29.518 29.460 -0.022 0.000 1.150 419 W HN 0.847 nan 8.180 nan 0.000 0.496 420 E N 0.548 120.765 120.200 0.028 0.000 2.333 420 E HA -0.181 4.168 4.350 -0.001 0.000 0.198 420 E C 1.435 177.948 176.600 -0.145 0.000 1.007 420 E CA 1.492 57.837 56.400 -0.091 0.000 0.845 420 E CB -0.605 29.116 29.700 0.034 0.000 0.766 420 E HN 0.219 nan 8.360 nan 0.000 0.507 421 D N -0.163 120.169 120.400 -0.114 0.000 2.312 421 D HA -0.035 4.605 4.640 -0.001 0.000 0.211 421 D C 0.213 176.407 176.300 -0.177 0.000 0.964 421 D CA 0.382 54.319 54.000 -0.105 0.000 0.877 421 D CB 0.110 40.877 40.800 -0.056 0.000 0.924 421 D HN 0.214 nan 8.370 nan 0.000 0.515 422 L N 3.121 124.162 121.223 -0.304 0.000 2.331 422 L HA 0.211 4.550 4.340 -0.001 0.000 0.278 422 L C -1.898 174.733 176.870 -0.399 0.000 1.106 422 L CA -1.683 52.914 54.840 -0.406 0.000 0.824 422 L CB 0.662 42.361 42.059 -0.599 0.000 1.142 422 L HN -0.192 nan 8.230 nan 0.000 0.443 423 P HA 0.102 nan 4.420 nan 0.000 0.270 423 P C -2.300 174.853 177.300 -0.246 0.000 1.223 423 P CA -1.345 61.630 63.100 -0.209 0.000 0.785 423 P CB 0.230 31.876 31.700 -0.090 0.000 0.923 424 P HA -0.217 nan 4.420 nan 0.000 0.216 424 P C 1.690 178.956 177.300 -0.058 0.000 1.157 424 P CA 1.868 64.912 63.100 -0.095 0.000 0.880 424 P CB -0.059 31.627 31.700 -0.024 0.000 0.791 425 Q N -1.206 118.606 119.800 0.021 0.000 2.167 425 Q HA -0.006 4.333 4.340 -0.001 0.000 0.202 425 Q C 2.194 178.224 176.000 0.051 0.000 0.970 425 Q CA 1.621 57.507 55.803 0.138 0.000 0.855 425 Q CB -1.240 27.676 28.738 0.295 0.000 0.911 425 Q HN 0.173 nan 8.270 nan 0.000 0.438 426 A N 0.232 122.823 122.820 -0.382 0.000 1.898 426 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 426 A C 1.945 179.245 177.584 -0.473 0.000 1.181 426 A CA 1.331 52.730 52.037 -1.064 0.000 0.620 426 A CB -0.380 17.702 19.000 -1.530 0.000 0.819 426 A HN 0.375 nan 8.150 nan 0.000 0.442 427 Q N -0.280 119.271 119.800 -0.415 0.000 2.124 427 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 427 Q C 2.403 178.443 176.000 0.067 0.000 0.977 427 Q CA 1.670 57.257 55.803 -0.360 0.000 0.850 427 Q CB -0.190 28.229 28.738 -0.532 0.000 0.901 427 Q HN 0.647 nan 8.270 nan 0.000 0.429 428 S N 0.077 115.828 115.700 0.084 0.000 2.383 428 S HA -0.166 4.304 4.470 -0.001 0.000 0.227 428 S C 1.582 176.338 174.600 0.260 0.000 1.026 428 S CA 0.920 59.234 58.200 0.189 0.000 0.981 428 S CB -0.356 62.948 63.200 0.173 0.000 0.818 428 S HN 0.406 nan 8.310 nan 0.000 0.472 429 Y N 2.439 122.811 120.300 0.119 0.000 2.128 429 Y HA -0.191 4.359 4.550 -0.001 0.000 0.284 429 Y C 2.263 178.297 175.900 0.223 0.000 1.154 429 Y CA 1.198 59.400 58.100 0.171 0.000 1.149 429 Y CB -0.586 37.982 38.460 0.181 0.000 0.976 429 Y HN 0.018 nan 8.280 nan 0.000 0.505 430 V N 0.485 120.565 119.914 0.275 0.000 2.287 430 V HA -0.344 3.776 4.120 -0.001 0.000 0.248 430 V C 2.382 178.601 176.094 0.208 0.000 1.053 430 V CA 2.394 64.848 62.300 0.256 0.000 1.027 430 V CB -0.612 31.444 31.823 0.388 0.000 0.646 430 V HN 0.331 nan 8.190 nan 0.000 0.447 431 R N -1.147 119.506 120.500 0.255 0.000 2.096 431 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 431 R C 2.208 178.600 176.300 0.154 0.000 1.127 431 R CA 1.765 57.975 56.100 0.183 0.000 0.968 431 R CB -0.489 29.934 30.300 0.206 0.000 0.861 431 R HN 0.541 nan 8.270 nan 0.000 0.440 432 F N 0.984 120.955 119.950 0.034 0.000 2.095 432 F HA -0.266 4.260 4.527 -0.001 0.000 0.298 432 F C 1.993 177.795 175.800 0.002 0.000 1.104 432 F CA 1.521 59.526 58.000 0.009 0.000 1.232 432 F CB -0.228 38.685 39.000 -0.146 0.000 0.987 432 F HN -0.264 nan 8.300 nan 0.000 0.475 433 V N 0.336 120.294 119.914 0.074 0.000 2.295 433 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 433 V C 2.352 178.436 176.094 -0.015 0.000 1.049 433 V CA 2.252 64.553 62.300 0.003 0.000 1.024 433 V CB -0.816 31.014 31.823 0.012 0.000 0.648 433 V HN 0.429 nan 8.190 nan 0.000 0.447 434 E N 0.428 120.631 120.200 0.004 0.000 2.085 434 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 434 E C 2.058 178.628 176.600 -0.051 0.000 0.994 434 E CA 1.666 58.054 56.400 -0.021 0.000 0.801 434 E CB -0.055 29.638 29.700 -0.012 0.000 0.743 434 E HN 0.606 nan 8.360 nan 0.000 0.453 435 N N -0.255 118.413 118.700 -0.052 0.000 2.216 435 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 435 N C 1.498 176.891 175.510 -0.194 0.000 1.017 435 N CA 1.121 54.103 53.050 -0.114 0.000 0.861 435 N CB -0.422 37.993 38.487 -0.119 0.000 0.986 435 N HN 0.322 nan 8.380 nan 0.000 0.428 436 H N -0.440 118.447 119.070 -0.305 0.000 2.529 436 H HA 0.211 4.766 4.556 -0.001 0.000 0.277 436 H C 1.562 176.800 175.328 -0.150 0.000 0.999 436 H CA 0.681 56.564 56.048 -0.276 0.000 1.256 436 H CB 0.221 29.730 29.762 -0.422 0.000 1.402 436 H HN 0.075 nan 8.280 nan 0.000 0.566 437 M N -1.461 118.122 119.600 -0.028 0.000 2.466 437 M HA 0.223 4.702 4.480 -0.001 0.000 0.265 437 M C 1.399 177.645 176.300 -0.089 0.000 1.122 437 M CA 1.026 56.294 55.300 -0.052 0.000 1.157 437 M CB -0.309 32.246 32.600 -0.074 0.000 1.352 437 M HN 0.473 nan 8.290 nan 0.000 0.464 438 G N 1.053 109.801 108.800 -0.086 0.000 2.143 438 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.248 438 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.248 438 G C -0.051 174.799 174.900 -0.082 0.000 0.991 438 G CA 0.283 45.340 45.100 -0.072 0.000 0.689 438 G HN 0.361 nan 8.290 nan 0.000 0.522 439 V N 0.194 120.039 119.914 -0.114 0.000 2.588 439 V HA 0.819 4.938 4.120 -0.001 0.000 0.304 439 V C 0.660 176.721 176.094 -0.054 0.000 1.042 439 V CA -0.671 61.570 62.300 -0.097 0.000 0.877 439 V CB 1.682 33.397 31.823 -0.179 0.000 0.996 439 V HN 1.183 nan 8.190 nan 0.000 0.425 440 A N 3.961 126.762 122.820 -0.031 0.000 2.462 440 A HA 0.548 4.867 4.320 -0.001 0.000 0.243 440 A C -0.114 177.503 177.584 0.056 0.000 1.076 440 A CA -0.086 51.938 52.037 -0.020 0.000 0.773 440 A CB 0.442 19.384 19.000 -0.097 0.000 1.010 440 A HN 0.746 nan 8.150 nan 0.000 0.493 441 V N 3.551 123.484 119.914 0.032 0.000 2.385 441 V HA 0.154 4.273 4.120 -0.001 0.000 0.269 441 V C 1.258 177.354 176.094 0.003 0.000 1.043 441 V CA 0.065 62.385 62.300 0.032 0.000 0.906 441 V CB 1.064 32.913 31.823 0.043 0.000 0.995 441 V HN 1.120 nan 8.190 nan 0.000 0.467 442 K N 4.190 124.501 120.400 -0.147 0.000 2.284 442 K HA 0.125 4.445 4.320 -0.001 0.000 0.198 442 K C -0.106 176.010 176.600 -0.807 0.000 1.048 442 K CA 0.408 56.281 56.287 -0.690 0.000 0.987 442 K CB 0.493 32.192 32.500 -1.335 0.000 0.800 442 K HN 0.590 nan 8.250 nan 0.000 0.486 443 W N 0.590 121.788 121.300 -0.170 0.000 3.032 443 W HA 0.412 5.071 4.660 -0.001 0.000 0.335 443 W C -1.289 175.209 176.519 -0.034 0.000 1.154 443 W CA -0.849 56.424 57.345 -0.120 0.000 1.204 443 W CB 1.726 31.086 29.460 -0.166 0.000 1.416 443 W HN -0.465 nan 8.180 nan 0.000 0.521 444 V N 1.592 121.649 119.914 0.239 0.000 2.525 444 V HA 0.546 4.666 4.120 -0.001 0.000 0.299 444 V C 0.306 176.486 176.094 0.143 0.000 1.034 444 V CA -0.743 61.665 62.300 0.180 0.000 0.863 444 V CB 1.468 33.400 31.823 0.182 0.000 0.999 444 V HN 0.630 nan 8.190 nan 0.000 0.423 445 G N 2.235 111.104 108.800 0.114 0.000 2.325 445 G HA2 0.513 4.472 3.960 -0.001 0.000 0.298 445 G HA3 0.513 4.472 3.960 -0.001 0.000 0.298 445 G C 0.366 175.316 174.900 0.084 0.000 1.134 445 G CA -0.003 45.146 45.100 0.081 0.000 0.876 445 G HN 1.145 nan 8.290 nan 0.000 0.452 446 V N 0.336 120.291 119.914 0.069 0.000 3.253 446 V HA 0.727 4.846 4.120 -0.001 0.000 0.320 446 V C 0.715 176.847 176.094 0.063 0.000 1.442 446 V CA 0.449 62.791 62.300 0.069 0.000 1.097 446 V CB -0.109 31.743 31.823 0.047 0.000 1.008 446 V HN 1.041 nan 8.190 nan 0.000 0.463 447 G N 0.121 108.954 108.800 0.054 0.000 2.634 447 G HA2 0.429 4.388 3.960 -0.001 0.000 0.309 447 G HA3 0.429 4.388 3.960 -0.001 0.000 0.309 447 G C -0.365 174.553 174.900 0.031 0.000 1.299 447 G CA 0.099 45.225 45.100 0.044 0.000 0.798 447 G HN 0.003 nan 8.290 nan 0.000 0.490 448 K N -0.594 119.818 120.400 0.020 0.000 2.367 448 K HA 0.273 4.593 4.320 -0.001 0.000 0.195 448 K C 1.115 177.716 176.600 0.002 0.000 1.060 448 K CA 0.651 56.941 56.287 0.005 0.000 1.022 448 K CB 0.215 32.711 32.500 -0.006 0.000 0.894 448 K HN 0.556 nan 8.250 nan 0.000 0.540 449 S N -0.144 115.561 115.700 0.008 0.000 2.617 449 S HA 0.165 4.634 4.470 -0.001 0.000 0.269 449 S C 0.888 175.493 174.600 0.008 0.000 1.292 449 S CA -0.774 57.432 58.200 0.011 0.000 1.010 449 S CB 1.737 64.946 63.200 0.015 0.000 0.944 449 S HN 0.290 nan 8.310 nan 0.000 0.536 450 R N 0.503 121.009 120.500 0.010 0.000 2.159 450 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 450 R C 2.013 178.316 176.300 0.005 0.000 1.131 450 R CA 1.750 57.850 56.100 -0.000 0.000 0.982 450 R CB -0.249 30.056 30.300 0.008 0.000 0.868 450 R HN 0.933 nan 8.270 nan 0.000 0.453 451 E N -0.436 119.774 120.200 0.017 0.000 2.285 451 E HA -0.068 4.281 4.350 -0.001 0.000 0.194 451 E C 1.318 177.937 176.600 0.032 0.000 0.997 451 E CA 0.748 57.164 56.400 0.026 0.000 0.845 451 E CB 0.180 29.895 29.700 0.025 0.000 0.782 451 E HN 0.284 nan 8.360 nan 0.000 0.491 452 S N 0.641 116.357 115.700 0.027 0.000 2.400 452 S HA -0.094 4.375 4.470 -0.001 0.000 0.232 452 S C 1.040 175.668 174.600 0.047 0.000 1.025 452 S CA 0.573 58.793 58.200 0.034 0.000 0.993 452 S CB -0.081 63.136 63.200 0.029 0.000 0.808 452 S HN 0.285 nan 8.310 nan 0.000 0.478 453 M N 1.317 120.942 119.600 0.043 0.000 2.252 453 M HA 0.204 4.684 4.480 -0.001 0.000 0.333 453 M C -0.310 176.069 176.300 0.132 0.000 1.111 453 M CA 0.670 56.017 55.300 0.079 0.000 1.140 453 M CB -0.250 32.366 32.600 0.027 0.000 1.538 453 M HN 0.116 nan 8.290 nan 0.000 0.448 454 I N 2.388 123.067 120.570 0.181 0.000 2.420 454 I HA 0.153 4.322 4.170 -0.001 0.000 0.282 454 I C -0.090 176.119 176.117 0.153 0.000 1.019 454 I CA -0.808 60.587 61.300 0.157 0.000 1.130 454 I CB 1.658 39.742 38.000 0.140 0.000 1.262 454 I HN 0.562 nan 8.210 nan 0.000 0.454 455 Q N 6.069 125.923 119.800 0.089 0.000 2.297 455 Q HA 0.251 4.591 4.340 -0.001 0.000 0.267 455 Q C -0.223 175.660 176.000 -0.196 0.000 1.006 455 Q CA 0.478 56.179 55.803 -0.169 0.000 0.896 455 Q CB 1.109 29.784 28.738 -0.106 0.000 1.186 455 Q HN 0.740 nan 8.270 nan 0.000 0.392 456 L N 4.346 125.360 121.223 -0.347 0.000 2.556 456 L HA 0.347 4.686 4.340 -0.001 0.000 0.226 456 L C -0.077 176.718 176.870 -0.124 0.000 1.089 456 L CA -0.079 54.636 54.840 -0.207 0.000 0.864 456 L CB -0.111 41.835 42.059 -0.188 0.000 1.067 456 L HN 0.739 nan 8.230 nan 0.000 0.477 457 F N 0.000 119.747 119.950 -0.338 0.000 2.286 457 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 457 F CA 0.000 57.839 58.000 -0.269 0.000 1.383 457 F CB 0.000 38.847 39.000 -0.255 0.000 1.145 457 F HN 0.000 nan 8.300 nan 0.000 0.574