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 3clw_1_C DATA FIRST_RESID 29 DATA SEQUENCE KVFIIDKQTV YQEIDNFSAS DAWRCAFIGK NWPQEKKEKI ADLLFKREFD DATA SEQUENCE EKGNPIGMAL TNWRVNIGAG SYENREAKEV DNSWNRTECF LSPDGKYDFT DATA SEQUENCE KQAGQQWFMK AARERGMNNF LFFTNSAPYF MTRSASTVST DQDCINLQND DATA SEQUENCE KFDDFARFLV KSAQHFREQG FHVNYISPNN EPNGQWHANS FQEGSFATKA DATA SEQUENCE DLYRMVEELD KAISEAQIDT KILIPEVGDM KYLFEIDSIA KTPDDIIHSM DATA SEQUENCE FYKDGQYSVL KFKNLFNCVA AHDYWSAYPA TLLVDIRNRI HKELSANGHN DATA SEQUENCE TKFWASEYCI LEKNEEITMP ASPERSINLG LYVARIIHND LTLANASAWQ DATA SEQUENCE WWTAVSLGED VPIQLLPLEG SNGLSLQYDG EISTTKMLWT TANYSFFVRP DATA SEQUENCE GMKRIAIKPT YKISDLEAAT SLMISSYTDG KEVVTVAINY SKENQVISLN DATA SEQUENCE CDHAQKGKVY LTTIDKNLRY MGEQPLKKLQ LPARSVATIV V 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.612 176.600 0.020 0.000 0.988 29 K CA 0.000 56.287 56.287 0.000 0.000 0.838 29 K CB 0.000 32.536 32.500 0.060 0.000 1.064 30 V N 2.797 122.613 119.914 -0.164 0.000 2.760 30 V HA 0.962 5.082 4.120 -0.000 0.000 0.309 30 V C -1.626 174.297 176.094 -0.286 0.000 1.077 30 V CA -0.847 61.413 62.300 -0.067 0.000 0.910 30 V CB 1.072 32.884 31.823 -0.017 0.000 1.008 30 V HN 0.914 nan 8.190 nan 0.000 0.424 31 F N 5.527 125.480 119.950 0.005 0.000 2.561 31 F HA 0.785 5.312 4.527 -0.000 0.000 0.321 31 F C -0.320 175.482 175.800 0.002 0.000 1.065 31 F CA -0.854 57.150 58.000 0.008 0.000 0.934 31 F CB 2.262 41.270 39.000 0.013 0.000 1.215 31 F HN 0.323 nan 8.300 nan 0.000 0.471 32 I N 3.065 123.738 120.570 0.171 0.000 2.439 32 I HA 0.332 4.502 4.170 -0.000 0.000 0.285 32 I C -0.571 175.595 176.117 0.082 0.000 1.021 32 I CA -0.194 61.159 61.300 0.088 0.000 1.091 32 I CB 1.522 39.542 38.000 0.033 0.000 1.242 32 I HN 0.389 nan 8.210 nan 0.000 0.439 33 I N 5.379 125.983 120.570 0.057 0.000 2.496 33 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 33 I C -0.031 176.089 176.117 0.004 0.000 1.080 33 I CA 0.401 61.720 61.300 0.032 0.000 1.404 33 I CB 0.477 38.487 38.000 0.018 0.000 1.403 33 I HN 0.512 nan 8.210 nan 0.000 0.539 34 D N 6.318 126.715 120.400 -0.005 0.000 2.462 34 D HA 0.188 4.828 4.640 -0.000 0.000 0.245 34 D C 0.287 176.557 176.300 -0.049 0.000 1.122 34 D CA -0.541 53.442 54.000 -0.028 0.000 0.864 34 D CB 1.070 41.855 40.800 -0.026 0.000 1.098 34 D HN 0.376 nan 8.370 nan 0.000 0.541 35 K N 2.165 122.539 120.400 -0.042 0.000 2.555 35 K HA -0.050 4.270 4.320 -0.000 0.000 0.193 35 K C 0.980 177.548 176.600 -0.054 0.000 1.032 35 K CA 0.549 56.811 56.287 -0.041 0.000 1.004 35 K CB 0.555 33.042 32.500 -0.022 0.000 0.804 35 K HN 0.300 nan 8.250 nan 0.000 0.496 36 Q N 0.017 119.779 119.800 -0.064 0.000 2.324 36 Q HA 0.037 4.377 4.340 -0.000 0.000 0.207 36 Q C 0.079 176.007 176.000 -0.119 0.000 0.928 36 Q CA 0.730 56.490 55.803 -0.071 0.000 0.890 36 Q CB 0.646 29.355 28.738 -0.049 0.000 1.001 36 Q HN 0.069 nan 8.270 nan 0.000 0.517 37 T N 1.052 115.512 114.554 -0.158 0.000 2.750 37 T HA 0.317 4.667 4.350 -0.000 0.000 0.286 37 T C -0.461 173.958 174.700 -0.470 0.000 0.911 37 T CA -0.164 61.758 62.100 -0.297 0.000 1.130 37 T CB 0.344 69.050 68.868 -0.270 0.000 0.873 37 T HN -0.155 nan 8.240 nan 0.000 0.536 38 V N 4.454 124.095 119.914 -0.454 0.000 2.513 38 V HA 0.495 4.615 4.120 -0.000 0.000 0.299 38 V C -0.672 175.161 176.094 -0.435 0.000 1.035 38 V CA -0.794 61.289 62.300 -0.362 0.000 0.889 38 V CB 1.146 32.884 31.823 -0.141 0.000 0.988 38 V HN 0.733 nan 8.190 nan 0.000 0.440 39 Y N 1.142 121.442 120.300 0.001 0.000 3.263 39 Y HA 0.397 4.947 4.550 -0.000 0.000 0.347 39 Y C 0.828 176.745 175.900 0.029 0.000 1.338 39 Y CA -0.666 57.435 58.100 0.002 0.000 0.884 39 Y CB -0.042 38.397 38.460 -0.036 0.000 1.199 39 Y HN 0.553 nan 8.280 nan 0.000 0.852 40 Q N 2.134 122.082 119.800 0.246 0.000 2.394 40 Q HA 0.060 4.400 4.340 -0.000 0.000 0.248 40 Q C -0.552 175.552 176.000 0.173 0.000 0.992 40 Q CA -0.283 55.621 55.803 0.169 0.000 0.888 40 Q CB 1.145 29.963 28.738 0.133 0.000 1.257 40 Q HN 0.701 nan 8.270 nan 0.000 0.462 41 E N 2.554 122.847 120.200 0.156 0.000 2.313 41 E HA 0.185 4.535 4.350 -0.000 0.000 0.276 41 E C -0.479 176.219 176.600 0.165 0.000 1.031 41 E CA -0.683 55.812 56.400 0.158 0.000 0.857 41 E CB 0.696 30.483 29.700 0.145 0.000 1.040 41 E HN 0.525 nan 8.360 nan 0.000 0.408 42 I N 4.967 125.632 120.570 0.158 0.000 2.416 42 I HA -0.001 4.169 4.170 -0.000 0.000 0.288 42 I C 0.733 176.903 176.117 0.087 0.000 1.051 42 I CA 0.132 61.494 61.300 0.104 0.000 1.375 42 I CB 0.910 38.983 38.000 0.122 0.000 1.407 42 I HN 0.718 nan 8.210 nan 0.000 0.516 43 D N 4.749 125.169 120.400 0.034 0.000 2.290 43 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 43 D C 0.328 176.588 176.300 -0.066 0.000 0.967 43 D CA 1.140 55.183 54.000 0.072 0.000 0.893 43 D CB 0.462 41.420 40.800 0.262 0.000 1.037 43 D HN 0.758 nan 8.370 nan 0.000 0.477 44 N N -1.528 116.998 118.700 -0.290 0.000 3.322 44 N HA 0.233 4.973 4.740 -0.000 0.000 0.233 44 N C -1.890 173.365 175.510 -0.424 0.000 1.399 44 N CA -0.667 52.240 53.050 -0.238 0.000 0.894 44 N CB 0.406 38.749 38.487 -0.240 0.000 1.440 44 N HN -0.209 nan 8.380 nan 0.000 0.503 45 F N -0.233 119.643 119.950 -0.124 0.000 2.480 45 F HA 0.820 5.347 4.527 -0.000 0.000 0.329 45 F C 0.749 176.547 175.800 -0.004 0.000 1.091 45 F CA -0.421 57.549 58.000 -0.051 0.000 0.972 45 F CB 2.290 41.307 39.000 0.028 0.000 1.150 45 F HN 0.615 nan 8.300 nan 0.000 0.467 46 S N 0.923 116.735 115.700 0.187 0.000 2.671 46 S HA 0.949 5.419 4.470 -0.000 0.000 0.277 46 S C -1.400 173.338 174.600 0.230 0.000 1.165 46 S CA -0.292 57.996 58.200 0.147 0.000 0.822 46 S CB 1.699 64.864 63.200 -0.058 0.000 1.150 46 S HN 0.956 nan 8.310 nan 0.000 0.479 47 A N 0.757 123.673 122.820 0.160 0.000 2.581 47 A HA 0.828 5.148 4.320 -0.000 0.000 0.290 47 A C -1.027 176.345 177.584 -0.353 0.000 1.119 47 A CA -0.481 51.590 52.037 0.055 0.000 0.670 47 A CB 1.174 20.270 19.000 0.159 0.000 1.280 47 A HN 0.791 nan 8.150 nan 0.000 0.425 48 S N -0.638 114.751 115.700 -0.519 0.000 2.501 48 S HA 0.479 4.949 4.470 -0.000 0.000 0.301 48 S C 0.078 174.097 174.600 -0.968 0.000 1.096 48 S CA 0.131 57.892 58.200 -0.731 0.000 1.063 48 S CB 1.116 63.995 63.200 -0.534 0.000 1.042 48 S HN 0.788 nan 8.310 nan 0.000 0.494 49 D N 2.815 122.634 120.400 -0.967 0.000 2.349 49 D HA 0.142 4.782 4.640 -0.000 0.000 0.224 49 D C 0.697 176.751 176.300 -0.411 0.000 1.029 49 D CA -0.064 53.591 54.000 -0.575 0.000 0.879 49 D CB -0.392 40.244 40.800 -0.274 0.000 0.906 49 D HN 0.500 nan 8.370 nan 0.000 0.528 50 A N -0.014 122.479 122.820 -0.545 0.000 2.511 50 A HA 0.296 4.616 4.320 -0.000 0.000 0.242 50 A C 0.428 177.797 177.584 -0.358 0.000 1.069 50 A CA -0.008 51.717 52.037 -0.520 0.000 0.763 50 A CB -0.150 18.374 19.000 -0.793 0.000 1.001 50 A HN 0.299 nan 8.150 nan 0.000 0.498 51 W N 0.461 121.712 121.300 -0.082 0.000 0.542 51 W HA -0.336 4.324 4.660 -0.000 0.000 0.215 51 W C 1.742 178.409 176.519 0.246 0.000 0.917 51 W CA 1.911 59.297 57.345 0.069 0.000 0.358 51 W CB -1.653 27.833 29.460 0.043 0.000 1.905 51 W HN 0.833 nan 8.180 nan 0.000 1.157 52 R N -0.557 120.150 120.500 0.345 0.000 2.189 52 R HA 0.160 4.499 4.340 -0.000 0.000 0.203 52 R C 1.874 178.295 176.300 0.200 0.000 1.012 52 R CA 1.255 57.585 56.100 0.384 0.000 1.015 52 R CB -0.728 29.601 30.300 0.047 0.000 0.938 52 R HN 0.220 nan 8.270 nan 0.000 0.472 53 C N 0.914 120.193 119.300 -0.034 0.000 2.435 53 C HA 0.007 4.467 4.460 -0.000 0.000 0.279 53 C C 2.902 177.924 174.990 0.054 0.000 1.321 53 C CA 0.778 59.691 59.018 -0.175 0.000 1.752 53 C CB -0.806 26.637 27.740 -0.495 0.000 1.959 53 C HN 0.564 nan 8.230 nan 0.000 0.500 54 A N 0.181 123.007 122.820 0.009 0.000 1.948 54 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 54 A C 1.774 179.259 177.584 -0.166 0.000 1.177 54 A CA 1.776 53.744 52.037 -0.114 0.000 0.636 54 A CB -0.705 18.096 19.000 -0.331 0.000 0.815 54 A HN 0.552 nan 8.150 nan 0.000 0.449 55 F N -0.413 119.571 119.950 0.057 0.000 2.187 55 F HA 0.060 4.587 4.527 -0.000 0.000 0.295 55 F C 2.152 177.990 175.800 0.064 0.000 1.091 55 F CA 0.904 58.925 58.000 0.035 0.000 1.308 55 F CB -0.363 38.620 39.000 -0.029 0.000 1.030 55 F HN 0.092 nan 8.300 nan 0.000 0.487 56 I N -0.120 120.514 120.570 0.108 0.000 2.179 56 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 56 I C 2.731 178.880 176.117 0.053 0.000 1.088 56 I CA 1.614 62.787 61.300 -0.211 0.000 1.357 56 I CB -1.188 36.595 38.000 -0.362 0.000 1.051 56 I HN 0.207 nan 8.210 nan 0.000 0.409 57 G N 0.333 109.299 108.800 0.276 0.000 2.443 57 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 57 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 57 G C 1.763 176.611 174.900 -0.087 0.000 1.131 57 G CA 0.592 45.775 45.100 0.138 0.000 0.775 57 G HN 0.305 nan 8.290 nan 0.000 0.547 58 K N -0.507 119.913 120.400 0.033 0.000 2.276 58 K HA 0.084 4.404 4.320 -0.000 0.000 0.198 58 K C 1.671 178.305 176.600 0.057 0.000 1.052 58 K CA 0.401 56.701 56.287 0.023 0.000 0.984 58 K CB 0.193 32.708 32.500 0.025 0.000 0.836 58 K HN 0.112 nan 8.250 nan 0.000 0.490 59 N N -0.654 118.149 118.700 0.173 0.000 2.463 59 N HA -0.006 4.734 4.740 -0.000 0.000 0.183 59 N C -0.222 175.467 175.510 0.298 0.000 1.064 59 N CA 0.248 53.461 53.050 0.273 0.000 0.879 59 N CB 0.069 38.828 38.487 0.452 0.000 1.148 59 N HN 0.027 nan 8.380 nan 0.000 0.451 60 W N 2.820 124.122 121.300 0.003 0.000 2.150 60 W HA 0.303 4.963 4.660 -0.000 0.000 0.341 60 W C -1.851 174.627 176.519 -0.070 0.000 1.276 60 W CA -1.658 55.685 57.345 -0.003 0.000 1.238 60 W CB -0.590 28.879 29.460 0.014 0.000 1.128 60 W HN -0.098 nan 8.180 nan 0.000 0.581 61 P HA -0.143 nan 4.420 nan 0.000 0.260 61 P C 0.712 178.031 177.300 0.031 0.000 1.172 61 P CA 0.395 63.513 63.100 0.030 0.000 0.760 61 P CB 0.607 32.306 31.700 -0.001 0.000 0.773 62 Q N 3.737 123.524 119.800 -0.021 0.000 2.103 62 Q HA -0.302 4.038 4.340 -0.000 0.000 0.213 62 Q C 1.566 177.580 176.000 0.024 0.000 1.008 62 Q CA 2.221 58.001 55.803 -0.037 0.000 0.879 62 Q CB -0.504 28.232 28.738 -0.003 0.000 0.946 62 Q HN 0.520 nan 8.270 nan 0.000 0.413 63 E N -0.620 119.609 120.200 0.049 0.000 2.153 63 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 63 E C 1.939 178.600 176.600 0.102 0.000 0.988 63 E CA 1.127 57.570 56.400 0.072 0.000 0.811 63 E CB 0.001 29.736 29.700 0.058 0.000 0.746 63 E HN 0.384 nan 8.360 nan 0.000 0.466 64 K N 0.745 121.222 120.400 0.128 0.000 2.031 64 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 64 K C 2.118 178.844 176.600 0.211 0.000 1.049 64 K CA 0.754 57.171 56.287 0.216 0.000 0.939 64 K CB -0.047 32.654 32.500 0.335 0.000 0.717 64 K HN -0.074 nan 8.250 nan 0.000 0.438 65 K N 1.225 121.701 120.400 0.126 0.000 2.059 65 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 65 K C 2.053 178.758 176.600 0.175 0.000 1.050 65 K CA 1.676 57.944 56.287 -0.032 0.000 0.927 65 K CB 0.027 32.188 32.500 -0.565 0.000 0.714 65 K HN 0.189 nan 8.250 nan 0.000 0.447 66 E N 0.582 120.901 120.200 0.199 0.000 2.072 66 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 66 E C 1.993 178.683 176.600 0.151 0.000 0.985 66 E CA 0.971 57.507 56.400 0.226 0.000 0.801 66 E CB -0.046 29.759 29.700 0.175 0.000 0.750 66 E HN 0.139 nan 8.360 nan 0.000 0.452 67 K N 1.774 122.252 120.400 0.130 0.000 1.991 67 K HA -0.132 4.188 4.320 -0.000 0.000 0.212 67 K C 2.073 178.727 176.600 0.091 0.000 1.049 67 K CA 1.174 57.524 56.287 0.106 0.000 0.932 67 K CB -0.587 31.980 32.500 0.112 0.000 0.717 67 K HN 0.028 nan 8.250 nan 0.000 0.441 68 I N 0.723 121.363 120.570 0.116 0.000 2.113 68 I HA -0.361 3.809 4.170 -0.000 0.000 0.242 68 I C 2.289 178.450 176.117 0.073 0.000 1.064 68 I CA 1.693 63.052 61.300 0.098 0.000 1.320 68 I CB -0.503 37.595 38.000 0.164 0.000 1.028 68 I HN 0.360 nan 8.210 nan 0.000 0.406 69 A N -0.215 122.693 122.820 0.146 0.000 2.067 69 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 69 A C 1.884 179.519 177.584 0.084 0.000 1.158 69 A CA 1.801 53.929 52.037 0.153 0.000 0.661 69 A CB -0.458 18.623 19.000 0.135 0.000 0.801 69 A HN 0.375 nan 8.150 nan 0.000 0.452 70 D N 0.008 120.439 120.400 0.052 0.000 2.123 70 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 70 D C 1.856 178.134 176.300 -0.037 0.000 0.976 70 D CA 0.864 54.884 54.000 0.032 0.000 0.831 70 D CB -0.239 40.592 40.800 0.051 0.000 0.974 70 D HN 0.441 nan 8.370 nan 0.000 0.469 71 L N 0.169 121.343 121.223 -0.080 0.000 2.275 71 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 71 L C 2.253 178.947 176.870 -0.293 0.000 1.119 71 L CA 0.492 55.235 54.840 -0.163 0.000 0.790 71 L CB -0.074 41.885 42.059 -0.167 0.000 0.919 71 L HN 0.028 nan 8.230 nan 0.000 0.443 72 L N -2.304 118.658 121.223 -0.435 0.000 2.253 72 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 72 L C 1.601 177.981 176.870 -0.818 0.000 1.078 72 L CA 0.791 55.139 54.840 -0.820 0.000 0.805 72 L CB -0.077 41.090 42.059 -1.486 0.000 0.963 72 L HN 0.131 nan 8.230 nan 0.000 0.459 73 F N -1.399 118.484 119.950 -0.112 0.000 2.752 73 F HA 0.255 4.781 4.527 -0.000 0.000 0.310 73 F C 1.013 176.751 175.800 -0.105 0.000 1.097 73 F CA -0.546 57.382 58.000 -0.120 0.000 1.238 73 F CB 0.244 39.146 39.000 -0.165 0.000 1.061 73 F HN -0.265 nan 8.300 nan 0.000 0.591 74 K N 2.179 122.612 120.400 0.056 0.000 2.262 74 K HA 0.209 4.529 4.320 -0.000 0.000 0.282 74 K C 0.074 176.659 176.600 -0.026 0.000 1.066 74 K CA -0.462 55.838 56.287 0.022 0.000 0.901 74 K CB 0.590 33.111 32.500 0.034 0.000 1.089 74 K HN -0.183 nan 8.250 nan 0.000 0.476 75 R N 4.774 125.199 120.500 -0.125 0.000 2.870 75 R HA 0.133 4.473 4.340 -0.000 0.000 0.254 75 R C -0.899 175.261 176.300 -0.233 0.000 1.392 75 R CA 0.232 56.123 56.100 -0.348 0.000 1.322 75 R CB 0.055 30.069 30.300 -0.476 0.000 1.205 75 R HN 0.725 nan 8.270 nan 0.000 0.597 76 E N 2.151 122.310 120.200 -0.068 0.000 2.413 76 E HA 0.287 4.637 4.350 -0.000 0.000 0.277 76 E C -0.907 175.674 176.600 -0.031 0.000 0.958 76 E CA -0.740 55.663 56.400 0.005 0.000 0.779 76 E CB 1.647 31.384 29.700 0.061 0.000 1.278 76 E HN 0.108 nan 8.360 nan 0.000 0.456 77 F N 1.013 121.061 119.950 0.162 0.000 2.450 77 F HA 0.195 4.722 4.527 -0.000 0.000 0.328 77 F C 1.262 177.095 175.800 0.055 0.000 1.068 77 F CA -0.637 57.414 58.000 0.085 0.000 1.007 77 F CB 0.786 39.828 39.000 0.069 0.000 1.251 77 F HN 0.402 nan 8.300 nan 0.000 0.492 78 D N 0.666 121.204 120.400 0.230 0.000 2.376 78 D HA 0.229 4.869 4.640 -0.000 0.000 0.281 78 D C 1.169 177.557 176.300 0.146 0.000 1.215 78 D CA 0.349 54.438 54.000 0.147 0.000 1.062 78 D CB -0.552 40.306 40.800 0.097 0.000 1.124 78 D HN 0.582 nan 8.370 nan 0.000 0.550 79 E N -1.061 119.201 120.200 0.102 0.000 2.046 79 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 79 E C 2.138 178.792 176.600 0.090 0.000 0.982 79 E CA 2.106 58.557 56.400 0.084 0.000 0.800 79 E CB -1.382 28.355 29.700 0.062 0.000 0.756 79 E HN 0.675 nan 8.360 nan 0.000 0.449 80 K N -0.075 120.386 120.400 0.101 0.000 2.522 80 K HA 0.446 4.766 4.320 -0.000 0.000 0.194 80 K C 1.783 178.507 176.600 0.208 0.000 1.026 80 K CA 1.004 57.365 56.287 0.123 0.000 1.119 80 K CB -1.202 31.355 32.500 0.095 0.000 0.856 80 K HN 1.535 nan 8.250 nan 0.000 0.513 81 G N 0.702 109.603 108.800 0.167 0.000 2.143 81 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 81 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 81 G C -0.212 174.864 174.900 0.294 0.000 0.991 81 G CA 0.021 45.176 45.100 0.092 0.000 0.689 81 G HN 0.597 nan 8.290 nan 0.000 0.522 82 N N 1.516 120.394 118.700 0.296 0.000 2.488 82 N HA 0.403 5.143 4.740 -0.000 0.000 0.274 82 N C -2.588 172.977 175.510 0.092 0.000 1.111 82 N CA -1.175 52.008 53.050 0.222 0.000 0.974 82 N CB 1.129 39.659 38.487 0.072 0.000 1.089 82 N HN 0.102 nan 8.380 nan 0.000 0.465 83 P HA 0.063 nan 4.420 nan 0.000 0.268 83 P C 1.071 178.112 177.300 -0.432 0.000 1.205 83 P CA -0.116 62.414 63.100 -0.950 0.000 0.771 83 P CB 0.549 31.090 31.700 -1.933 0.000 0.858 84 I N 0.134 120.535 120.570 -0.282 0.000 2.876 84 I HA 0.280 4.450 4.170 -0.000 0.000 0.264 84 I C 0.868 177.050 176.117 0.109 0.000 1.204 84 I CA 0.819 62.121 61.300 0.005 0.000 1.485 84 I CB -0.178 37.846 38.000 0.040 0.000 1.103 84 I HN 0.401 nan 8.210 nan 0.000 0.446 85 G N 0.527 109.325 108.800 -0.004 0.000 2.562 85 G HA2 0.243 4.203 3.960 -0.000 0.000 0.190 85 G HA3 0.243 4.203 3.960 -0.000 0.000 0.190 85 G C 0.009 174.819 174.900 -0.150 0.000 1.196 85 G CA -0.231 44.776 45.100 -0.155 0.000 0.986 85 G HN 0.040 nan 8.290 nan 0.000 0.512 86 M N 0.782 120.250 119.600 -0.220 0.000 2.447 86 M HA 0.315 4.795 4.480 -0.000 0.000 0.264 86 M C 1.717 177.984 176.300 -0.055 0.000 1.095 86 M CA 1.147 56.362 55.300 -0.142 0.000 1.125 86 M CB -0.003 32.492 32.600 -0.174 0.000 1.389 86 M HN 1.367 nan 8.290 nan 0.000 0.459 87 A N 2.045 124.832 122.820 -0.055 0.000 2.511 87 A HA -0.174 4.146 4.320 -0.000 0.000 0.297 87 A C 0.167 177.721 177.584 -0.050 0.000 1.476 87 A CA 0.269 52.264 52.037 -0.071 0.000 0.757 87 A CB -2.564 16.325 19.000 -0.185 0.000 1.072 87 A HN 0.516 nan 8.150 nan 0.000 0.413 88 L N -0.811 120.405 121.223 -0.011 0.000 2.503 88 L HA 0.224 4.564 4.340 -0.000 0.000 0.287 88 L C 1.696 178.659 176.870 0.154 0.000 1.252 88 L CA 0.884 55.790 54.840 0.110 0.000 0.835 88 L CB 0.209 42.364 42.059 0.159 0.000 1.099 88 L HN 0.797 nan 8.230 nan 0.000 0.516 89 T N -3.086 111.558 114.554 0.150 0.000 3.170 89 T HA 0.261 4.610 4.350 -0.000 0.000 0.288 89 T C -0.055 174.679 174.700 0.057 0.000 0.992 89 T CA -0.502 61.649 62.100 0.084 0.000 0.909 89 T CB -0.186 68.720 68.868 0.063 0.000 1.133 89 T HN 0.606 nan 8.240 nan 0.000 0.530 90 N N -0.144 118.620 118.700 0.106 0.000 2.494 90 N HA 0.502 5.242 4.740 -0.000 0.000 0.270 90 N C -2.341 173.344 175.510 0.291 0.000 1.285 90 N CA -0.770 52.331 53.050 0.086 0.000 0.812 90 N CB 1.831 40.310 38.487 -0.013 0.000 1.557 90 N HN 0.363 nan 8.380 nan 0.000 0.487 91 W N 3.451 124.758 121.300 0.012 0.000 2.900 91 W HA 0.484 5.144 4.660 -0.000 0.000 0.336 91 W C -1.188 175.479 176.519 0.247 0.000 1.064 91 W CA -0.659 56.795 57.345 0.182 0.000 1.237 91 W CB 1.412 31.029 29.460 0.262 0.000 1.391 91 W HN 0.472 nan 8.180 nan 0.000 0.468 92 R N 3.978 124.332 120.500 -0.243 0.000 2.221 92 R HA 0.384 4.724 4.340 -0.000 0.000 0.327 92 R C -0.604 175.617 176.300 -0.131 0.000 1.033 92 R CA -0.544 55.507 56.100 -0.082 0.000 0.887 92 R CB 1.881 32.064 30.300 -0.195 0.000 1.057 92 R HN 0.161 nan 8.270 nan 0.000 0.455 93 V N 3.968 124.006 119.914 0.206 0.000 2.350 93 V HA 0.104 4.224 4.120 -0.000 0.000 0.276 93 V C 0.283 176.239 176.094 -0.231 0.000 1.028 93 V CA -0.717 61.598 62.300 0.025 0.000 0.860 93 V CB 1.184 33.066 31.823 0.099 0.000 0.990 93 V HN 0.757 nan 8.190 nan 0.000 0.453 94 N N 5.788 124.181 118.700 -0.511 0.000 2.399 94 N HA 0.171 4.911 4.740 -0.000 0.000 0.259 94 N C -0.378 174.759 175.510 -0.621 0.000 1.160 94 N CA -0.716 51.717 53.050 -1.029 0.000 0.946 94 N CB 0.385 38.390 38.487 -0.803 0.000 1.156 94 N HN 0.476 nan 8.380 nan 0.000 0.489 95 I N 2.661 122.890 120.570 -0.569 0.000 2.496 95 I HA 0.117 4.287 4.170 -0.000 0.000 0.285 95 I C 1.454 177.437 176.117 -0.224 0.000 1.080 95 I CA -0.100 60.980 61.300 -0.366 0.000 1.404 95 I CB 0.498 38.349 38.000 -0.249 0.000 1.403 95 I HN 0.489 nan 8.210 nan 0.000 0.539 96 G N 3.999 112.658 108.800 -0.234 0.000 2.476 96 G HA2 0.449 4.409 3.960 -0.000 0.000 0.269 96 G HA3 0.449 4.409 3.960 -0.000 0.000 0.269 96 G C 0.336 175.172 174.900 -0.108 0.000 1.195 96 G CA -0.205 44.782 45.100 -0.188 0.000 0.843 96 G HN 0.794 nan 8.290 nan 0.000 0.545 97 A N 0.088 122.840 122.820 -0.115 0.000 2.431 97 A HA 0.553 4.873 4.320 -0.000 0.000 0.239 97 A C 1.578 179.134 177.584 -0.047 0.000 1.230 97 A CA 0.934 52.870 52.037 -0.168 0.000 0.928 97 A CB -0.126 18.762 19.000 -0.186 0.000 1.006 97 A HN 2.322 nan 8.150 nan 0.000 0.520 98 G N 0.291 109.102 108.800 0.018 0.000 2.132 98 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.228 98 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.228 98 G C 0.972 175.885 174.900 0.022 0.000 1.000 98 G CA 0.957 46.150 45.100 0.155 0.000 0.693 98 G HN 1.249 nan 8.290 nan 0.000 0.515 99 S N -1.335 114.350 115.700 -0.026 0.000 2.442 99 S HA -0.123 4.347 4.470 -0.000 0.000 0.236 99 S C 1.814 176.359 174.600 -0.092 0.000 1.007 99 S CA 1.573 59.712 58.200 -0.101 0.000 0.965 99 S CB -0.272 62.892 63.200 -0.059 0.000 0.773 99 S HN 0.946 nan 8.310 nan 0.000 0.504 100 Y N 2.543 122.762 120.300 -0.134 0.000 2.130 100 Y HA -0.021 4.529 4.550 -0.000 0.000 0.287 100 Y C 2.226 178.044 175.900 -0.136 0.000 1.124 100 Y CA 1.896 59.926 58.100 -0.116 0.000 1.118 100 Y CB -0.621 37.784 38.460 -0.093 0.000 0.994 100 Y HN 0.175 nan 8.280 nan 0.000 0.497 101 E N 0.168 120.307 120.200 -0.101 0.000 2.130 101 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 101 E C 1.570 177.956 176.600 -0.358 0.000 0.998 101 E CA 1.641 57.927 56.400 -0.191 0.000 0.806 101 E CB -0.347 29.368 29.700 0.024 0.000 0.738 101 E HN 0.416 nan 8.360 nan 0.000 0.459 102 N N 0.263 118.634 118.700 -0.549 0.000 2.322 102 N HA -0.027 4.713 4.740 -0.000 0.000 0.194 102 N C 1.035 176.307 175.510 -0.397 0.000 1.126 102 N CA -0.001 52.634 53.050 -0.690 0.000 0.845 102 N CB 0.077 37.775 38.487 -1.315 0.000 0.976 102 N HN 0.151 nan 8.380 nan 0.000 0.475 103 R N -0.013 120.286 120.500 -0.334 0.000 2.249 103 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 103 R C 0.879 177.068 176.300 -0.186 0.000 1.121 103 R CA 1.248 57.203 56.100 -0.242 0.000 0.997 103 R CB -0.302 29.845 30.300 -0.254 0.000 0.867 103 R HN 0.342 nan 8.270 nan 0.000 0.465 104 E N 0.852 120.938 120.200 -0.189 0.000 2.358 104 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 104 E C 0.754 177.288 176.600 -0.109 0.000 1.010 104 E CA 0.350 56.670 56.400 -0.134 0.000 0.856 104 E CB 0.244 29.869 29.700 -0.126 0.000 0.795 104 E HN 0.510 nan 8.360 nan 0.000 0.504 105 A N 1.574 124.317 122.820 -0.129 0.000 2.267 105 A HA 0.105 4.425 4.320 -0.000 0.000 0.276 105 A C 0.123 177.663 177.584 -0.074 0.000 1.336 105 A CA -0.173 51.808 52.037 -0.094 0.000 0.815 105 A CB 0.258 19.194 19.000 -0.107 0.000 1.256 105 A HN -0.024 nan 8.150 nan 0.000 0.512 106 K N 1.118 121.489 120.400 -0.048 0.000 2.150 106 K HA 0.241 4.561 4.320 -0.000 0.000 0.261 106 K C -0.539 176.043 176.600 -0.031 0.000 1.127 106 K CA 0.042 56.312 56.287 -0.029 0.000 0.989 106 K CB 0.226 32.721 32.500 -0.008 0.000 1.475 106 K HN 0.486 nan 8.250 nan 0.000 0.391 107 E N 0.798 120.969 120.200 -0.048 0.000 2.447 107 E HA 0.267 4.617 4.350 -0.000 0.000 0.251 107 E C -0.186 176.391 176.600 -0.038 0.000 0.910 107 E CA -1.090 55.276 56.400 -0.057 0.000 0.841 107 E CB 1.456 31.090 29.700 -0.109 0.000 1.403 107 E HN 0.029 nan 8.360 nan 0.000 0.400 108 V N 2.758 122.643 119.914 -0.048 0.000 2.681 108 V HA -0.155 3.965 4.120 -0.000 0.000 0.306 108 V C 0.946 177.002 176.094 -0.063 0.000 1.077 108 V CA 1.048 63.314 62.300 -0.058 0.000 1.224 108 V CB -0.230 31.538 31.823 -0.092 0.000 0.879 108 V HN 0.626 nan 8.190 nan 0.000 0.494 109 D N 2.699 123.070 120.400 -0.048 0.000 2.358 109 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 109 D C 0.067 176.349 176.300 -0.031 0.000 1.123 109 D CA -0.304 53.684 54.000 -0.020 0.000 0.833 109 D CB -0.303 40.514 40.800 0.029 0.000 0.946 109 D HN 0.807 nan 8.370 nan 0.000 0.505 110 N N -2.381 116.268 118.700 -0.084 0.000 2.598 110 N HA 0.170 4.910 4.740 -0.000 0.000 0.263 110 N C 0.298 175.766 175.510 -0.070 0.000 1.254 110 N CA -0.379 52.628 53.050 -0.072 0.000 0.863 110 N CB 1.219 39.646 38.487 -0.100 0.000 1.586 110 N HN -0.182 nan 8.380 nan 0.000 0.491 111 S N -0.906 114.763 115.700 -0.051 0.000 2.428 111 S HA -0.085 4.385 4.470 -0.000 0.000 0.230 111 S C 0.988 175.623 174.600 0.058 0.000 1.014 111 S CA 0.196 58.388 58.200 -0.014 0.000 0.957 111 S CB -0.758 62.381 63.200 -0.102 0.000 0.784 111 S HN 0.679 nan 8.310 nan 0.000 0.499 112 W N 2.518 123.739 121.300 -0.131 0.000 2.338 112 W HA 0.027 4.687 4.660 -0.000 0.000 0.304 112 W C 1.601 178.093 176.519 -0.044 0.000 1.212 112 W CA 0.802 58.085 57.345 -0.104 0.000 1.264 112 W CB -0.188 29.113 29.460 -0.265 0.000 1.142 112 W HN 0.330 nan 8.180 nan 0.000 0.512 113 N N -0.686 117.935 118.700 -0.132 0.000 2.205 113 N HA 0.098 4.838 4.740 -0.000 0.000 0.201 113 N C -0.144 175.251 175.510 -0.191 0.000 1.128 113 N CA 0.139 52.868 53.050 -0.534 0.000 0.867 113 N CB 0.039 37.800 38.487 -1.210 0.000 0.996 113 N HN 0.018 nan 8.380 nan 0.000 0.503 114 R N 0.289 120.769 120.500 -0.033 0.000 2.560 114 R HA 0.418 4.758 4.340 -0.000 0.000 0.270 114 R C 0.421 176.743 176.300 0.036 0.000 1.074 114 R CA -0.024 56.091 56.100 0.025 0.000 1.140 114 R CB 0.661 31.022 30.300 0.103 0.000 1.073 114 R HN 0.069 nan 8.270 nan 0.000 0.527 115 T N -1.978 112.588 114.554 0.020 0.000 2.896 115 T HA 0.355 4.705 4.350 -0.000 0.000 0.297 115 T C -0.440 174.238 174.700 -0.037 0.000 1.108 115 T CA -1.141 60.927 62.100 -0.053 0.000 1.004 115 T CB 1.934 70.759 68.868 -0.071 0.000 1.159 115 T HN 0.516 nan 8.240 nan 0.000 0.499 116 E N -0.279 119.841 120.200 -0.134 0.000 2.280 116 E HA 0.557 4.907 4.350 -0.000 0.000 0.261 116 E C -0.784 175.709 176.600 -0.179 0.000 1.088 116 E CA -1.004 55.339 56.400 -0.096 0.000 0.915 116 E CB 1.471 31.079 29.700 -0.153 0.000 1.141 116 E HN 0.705 nan 8.360 nan 0.000 0.433 117 C N 1.638 120.867 119.300 -0.119 0.000 2.431 117 C HA 0.342 4.802 4.460 -0.000 0.000 0.321 117 C C 0.792 175.712 174.990 -0.118 0.000 1.202 117 C CA -0.643 58.276 59.018 -0.165 0.000 1.398 117 C CB -0.737 26.959 27.740 -0.073 0.000 2.047 117 C HN 0.790 nan 8.230 nan 0.000 0.465 118 F N 3.160 123.164 119.950 0.090 0.000 2.307 118 F HA 0.065 4.592 4.527 -0.000 0.000 0.301 118 F C 0.917 176.584 175.800 -0.222 0.000 1.076 118 F CA 0.819 58.770 58.000 -0.082 0.000 1.383 118 F CB -0.407 38.498 39.000 -0.160 0.000 1.055 118 F HN 0.432 nan 8.300 nan 0.000 0.526 119 L N -0.107 121.094 121.223 -0.036 0.000 2.329 119 L HA 0.486 4.826 4.340 -0.000 0.000 0.279 119 L C 0.113 176.894 176.870 -0.149 0.000 1.014 119 L CA -0.768 53.880 54.840 -0.320 0.000 0.814 119 L CB 1.295 43.147 42.059 -0.346 0.000 1.257 119 L HN -0.023 nan 8.230 nan 0.000 0.424 120 S N 3.445 118.946 115.700 -0.331 0.000 2.681 120 S HA 0.655 5.125 4.470 -0.000 0.000 0.299 120 S C -2.149 171.831 174.600 -1.032 0.000 1.113 120 S CA -1.309 56.597 58.200 -0.491 0.000 1.013 120 S CB 1.335 64.357 63.200 -0.297 0.000 1.076 120 S HN 0.567 nan 8.310 nan 0.000 0.534 121 P HA -0.111 nan 4.420 nan 0.000 0.218 121 P C 0.469 177.399 177.300 -0.617 0.000 1.146 121 P CA 1.335 63.632 63.100 -1.338 0.000 0.813 121 P CB -0.172 31.032 31.700 -0.827 0.000 0.778 122 D N -2.401 117.746 120.400 -0.422 0.000 2.340 122 D HA 0.120 4.760 4.640 -0.000 0.000 0.220 122 D C 1.346 177.529 176.300 -0.195 0.000 1.039 122 D CA 0.446 54.302 54.000 -0.240 0.000 0.866 122 D CB -0.889 39.812 40.800 -0.165 0.000 0.913 122 D HN 0.196 nan 8.370 nan 0.000 0.523 123 G N 0.101 108.744 108.800 -0.261 0.000 2.157 123 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 123 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 123 G C 0.034 174.848 174.900 -0.143 0.000 0.979 123 G CA -0.150 44.849 45.100 -0.169 0.000 0.650 123 G HN 0.295 nan 8.290 nan 0.000 0.529 124 K N -0.090 120.205 120.400 -0.176 0.000 2.118 124 K HA 0.587 4.907 4.320 -0.000 0.000 0.267 124 K C -0.417 176.055 176.600 -0.213 0.000 0.991 124 K CA -0.682 55.549 56.287 -0.093 0.000 0.916 124 K CB 0.947 33.413 32.500 -0.056 0.000 1.041 124 K HN 0.209 nan 8.250 nan 0.000 0.455 125 Y N 0.379 120.641 120.300 -0.063 0.000 2.323 125 Y HA 0.159 4.709 4.550 -0.000 0.000 0.331 125 Y C 0.273 176.041 175.900 -0.219 0.000 1.092 125 Y CA -0.245 57.735 58.100 -0.200 0.000 1.150 125 Y CB 1.387 39.691 38.460 -0.260 0.000 1.200 125 Y HN 0.473 nan 8.280 nan 0.000 0.472 126 D N 2.979 123.287 120.400 -0.153 0.000 2.346 126 D HA 0.178 4.818 4.640 -0.000 0.000 0.255 126 D C -0.839 175.441 176.300 -0.033 0.000 1.276 126 D CA -0.429 53.542 54.000 -0.048 0.000 0.941 126 D CB 0.046 40.859 40.800 0.021 0.000 1.199 126 D HN 0.349 nan 8.370 nan 0.000 0.537 127 F N 1.213 121.162 119.950 -0.002 0.000 2.769 127 F HA 0.053 4.580 4.527 -0.000 0.000 0.304 127 F C 2.405 178.244 175.800 0.064 0.000 1.158 127 F CA 0.433 58.316 58.000 -0.196 0.000 1.398 127 F CB 0.024 38.471 39.000 -0.921 0.000 1.094 127 F HN 0.320 nan 8.300 nan 0.000 0.553 128 T N -3.359 111.343 114.554 0.247 0.000 3.088 128 T HA 0.059 4.409 4.350 -0.000 0.000 0.259 128 T C 0.951 175.795 174.700 0.239 0.000 1.122 128 T CA 0.012 62.241 62.100 0.215 0.000 1.095 128 T CB -0.098 68.854 68.868 0.141 0.000 0.930 128 T HN 0.056 nan 8.240 nan 0.000 0.508 129 K N 1.399 121.977 120.400 0.297 0.000 2.149 129 K HA 0.195 4.515 4.320 -0.000 0.000 0.245 129 K C 0.219 176.973 176.600 0.256 0.000 1.024 129 K CA -0.325 56.082 56.287 0.199 0.000 0.899 129 K CB 0.117 32.682 32.500 0.109 0.000 1.038 129 K HN 0.258 nan 8.250 nan 0.000 0.496 130 Q N -1.182 118.634 119.800 0.027 0.000 2.468 130 Q HA -0.281 4.059 4.340 -0.000 0.000 0.289 130 Q C 0.570 176.645 176.000 0.126 0.000 1.299 130 Q CA 0.433 56.241 55.803 0.008 0.000 0.838 130 Q CB -1.923 26.781 28.738 -0.056 0.000 1.195 130 Q HN 0.788 nan 8.270 nan 0.000 0.456 131 A N 0.113 122.997 122.820 0.106 0.000 1.898 131 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 131 A C 2.140 179.838 177.584 0.190 0.000 1.181 131 A CA 1.706 53.838 52.037 0.160 0.000 0.620 131 A CB -0.697 18.376 19.000 0.121 0.000 0.819 131 A HN 0.665 nan 8.150 nan 0.000 0.442 132 G N -0.659 108.218 108.800 0.127 0.000 2.469 132 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 132 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 132 G C 1.619 176.749 174.900 0.384 0.000 1.150 132 G CA 1.185 46.416 45.100 0.218 0.000 0.763 132 G HN 0.647 nan 8.290 nan 0.000 0.561 133 Q N -0.304 119.634 119.800 0.230 0.000 2.083 133 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 133 Q C 2.808 178.925 176.000 0.195 0.000 0.969 133 Q CA 1.110 57.050 55.803 0.228 0.000 0.838 133 Q CB -0.132 28.633 28.738 0.046 0.000 0.900 133 Q HN 0.595 nan 8.270 nan 0.000 0.436 134 Q N -0.493 119.393 119.800 0.143 0.000 2.226 134 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 134 Q C 1.618 177.675 176.000 0.096 0.000 0.975 134 Q CA 1.186 57.027 55.803 0.063 0.000 0.866 134 Q CB -0.260 28.602 28.738 0.206 0.000 0.915 134 Q HN 0.460 nan 8.270 nan 0.000 0.440 135 W N 0.675 122.028 121.300 0.089 0.000 2.355 135 W HA -0.185 4.475 4.660 -0.000 0.000 0.309 135 W C 1.488 177.989 176.519 -0.029 0.000 1.206 135 W CA 1.317 58.679 57.345 0.029 0.000 1.284 135 W CB -0.325 29.138 29.460 0.004 0.000 1.145 135 W HN 0.009 nan 8.180 nan 0.000 0.502 136 F N 0.284 120.292 119.950 0.097 0.000 2.134 136 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 136 F C 2.512 178.086 175.800 -0.377 0.000 1.097 136 F CA 2.096 60.017 58.000 -0.131 0.000 1.264 136 F CB -0.965 38.158 39.000 0.205 0.000 1.001 136 F HN -0.174 nan 8.300 nan 0.000 0.479 137 M N 0.465 120.007 119.600 -0.098 0.000 2.082 137 M HA -0.290 4.190 4.480 -0.000 0.000 0.258 137 M C 2.641 178.844 176.300 -0.162 0.000 1.071 137 M CA 2.722 57.814 55.300 -0.348 0.000 1.103 137 M CB -1.030 30.941 32.600 -1.049 0.000 1.307 137 M HN 0.120 nan 8.290 nan 0.000 0.409 138 K N 0.432 120.725 120.400 -0.178 0.000 2.074 138 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 138 K C 2.103 178.481 176.600 -0.370 0.000 1.048 138 K CA 2.046 58.272 56.287 -0.101 0.000 0.926 138 K CB -1.709 30.704 32.500 -0.145 0.000 0.713 138 K HN 0.568 nan 8.250 nan 0.000 0.444 139 A N 0.616 122.978 122.820 -0.764 0.000 1.969 139 A HA 0.321 4.641 4.320 -0.000 0.000 0.218 139 A C 2.736 180.002 177.584 -0.530 0.000 1.169 139 A CA 1.909 53.468 52.037 -0.798 0.000 0.635 139 A CB -0.608 17.572 19.000 -1.368 0.000 0.810 139 A HN 0.891 nan 8.150 nan 0.000 0.445 140 A N -0.266 122.157 122.820 -0.661 0.000 1.898 140 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 140 A C 2.199 179.555 177.584 -0.380 0.000 1.183 140 A CA 1.441 52.926 52.037 -0.920 0.000 0.622 140 A CB -0.447 17.683 19.000 -1.450 0.000 0.824 140 A HN 0.517 nan 8.150 nan 0.000 0.444 141 R N -0.130 120.291 120.500 -0.131 0.000 2.091 141 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 141 R C 2.040 178.271 176.300 -0.115 0.000 1.136 141 R CA 1.857 57.926 56.100 -0.052 0.000 0.959 141 R CB -0.300 30.000 30.300 -0.000 0.000 0.856 141 R HN 0.655 nan 8.270 nan 0.000 0.437 142 E N -0.157 119.957 120.200 -0.143 0.000 2.204 142 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 142 E C 1.085 177.628 176.600 -0.094 0.000 0.990 142 E CA 0.950 57.278 56.400 -0.121 0.000 0.821 142 E CB 0.202 29.817 29.700 -0.143 0.000 0.750 142 E HN 0.290 nan 8.360 nan 0.000 0.477 143 R N -1.035 119.403 120.500 -0.104 0.000 2.480 143 R HA 0.150 4.490 4.340 -0.000 0.000 0.277 143 R C 0.581 176.850 176.300 -0.052 0.000 1.008 143 R CA 0.438 56.505 56.100 -0.055 0.000 1.090 143 R CB 0.820 31.115 30.300 -0.008 0.000 1.234 143 R HN 0.161 nan 8.270 nan 0.000 0.549 144 G N 1.322 110.081 108.800 -0.069 0.000 2.176 144 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.252 144 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.252 144 G C -0.064 174.799 174.900 -0.062 0.000 1.024 144 G CA 0.043 45.108 45.100 -0.058 0.000 0.755 144 G HN 0.222 nan 8.290 nan 0.000 0.507 145 M N 0.930 120.471 119.600 -0.099 0.000 1.999 145 M HA 0.446 4.926 4.480 -0.000 0.000 0.299 145 M C -0.445 175.739 176.300 -0.193 0.000 0.900 145 M CA -1.037 54.184 55.300 -0.131 0.000 0.904 145 M CB 0.755 33.279 32.600 -0.127 0.000 1.477 145 M HN 0.075 nan 8.290 nan 0.000 0.403 146 N N 3.678 122.319 118.700 -0.100 0.000 2.806 146 N HA 0.217 4.957 4.740 -0.000 0.000 0.315 146 N C -1.495 174.003 175.510 -0.020 0.000 1.738 146 N CA 0.008 53.062 53.050 0.007 0.000 0.993 146 N CB 0.144 38.680 38.487 0.083 0.000 1.324 146 N HN 0.518 nan 8.380 nan 0.000 0.493 147 N N 0.888 119.333 118.700 -0.425 0.000 2.576 147 N HA 0.309 5.049 4.740 -0.000 0.000 0.269 147 N C -1.830 173.401 175.510 -0.465 0.000 1.058 147 N CA -0.269 52.630 53.050 -0.251 0.000 0.860 147 N CB 0.246 38.688 38.487 -0.077 0.000 1.249 147 N HN 0.006 nan 8.380 nan 0.000 0.525 148 F N 2.435 122.493 119.950 0.179 0.000 2.444 148 F HA 0.464 4.991 4.527 -0.000 0.000 0.342 148 F C 0.132 176.049 175.800 0.195 0.000 1.121 148 F CA -0.933 57.175 58.000 0.180 0.000 0.997 148 F CB 1.599 40.647 39.000 0.080 0.000 1.130 148 F HN 0.204 nan 8.300 nan 0.000 0.454 149 L N 4.453 125.947 121.223 0.452 0.000 2.295 149 L HA 0.540 4.880 4.340 -0.000 0.000 0.285 149 L C -1.341 175.882 176.870 0.588 0.000 1.035 149 L CA -0.310 54.800 54.840 0.450 0.000 0.806 149 L CB 0.882 43.163 42.059 0.370 0.000 1.214 149 L HN 0.545 nan 8.230 nan 0.000 0.426 150 F N 6.031 126.130 119.950 0.249 0.000 2.361 150 F HA 0.334 4.861 4.527 -0.000 0.000 0.364 150 F C -0.219 175.724 175.800 0.237 0.000 1.120 150 F CA -1.060 57.042 58.000 0.170 0.000 1.102 150 F CB 0.999 40.045 39.000 0.076 0.000 1.183 150 F HN 0.429 nan 8.300 nan 0.000 0.476 151 F N 1.196 121.252 119.950 0.177 0.000 2.507 151 F HA 0.805 5.332 4.527 -0.000 0.000 0.327 151 F C -0.582 175.274 175.800 0.092 0.000 1.068 151 F CA -1.162 56.910 58.000 0.120 0.000 0.965 151 F CB 1.090 40.146 39.000 0.093 0.000 1.192 151 F HN 0.226 nan 8.300 nan 0.000 0.476 152 T N -0.369 114.268 114.554 0.139 0.000 2.863 152 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 152 T C -0.224 174.555 174.700 0.131 0.000 1.009 152 T CA -0.848 61.289 62.100 0.063 0.000 0.989 152 T CB 1.532 70.562 68.868 0.270 0.000 1.004 152 T HN 0.616 nan 8.240 nan 0.000 0.455 153 N N 0.722 119.434 118.700 0.020 0.000 2.299 153 N HA 0.228 4.968 4.740 -0.000 0.000 0.187 153 N C 0.031 175.458 175.510 -0.139 0.000 1.099 153 N CA 0.089 53.107 53.050 -0.053 0.000 0.867 153 N CB 0.686 39.144 38.487 -0.048 0.000 0.974 153 N HN 0.738 nan 8.380 nan 0.000 0.477 154 S N -1.105 114.533 115.700 -0.104 0.000 2.565 154 S HA 0.674 5.144 4.470 -0.000 0.000 0.274 154 S C -1.569 172.832 174.600 -0.331 0.000 1.144 154 S CA -0.711 57.367 58.200 -0.204 0.000 0.849 154 S CB 0.843 63.928 63.200 -0.192 0.000 1.103 154 S HN 0.145 nan 8.310 nan 0.000 0.455 155 A N 2.938 125.342 122.820 -0.693 0.000 2.287 155 A HA 0.774 5.094 4.320 -0.000 0.000 0.273 155 A C -2.684 174.410 177.584 -0.818 0.000 1.091 155 A CA -1.528 49.751 52.037 -1.263 0.000 0.817 155 A CB -0.620 17.342 19.000 -1.731 0.000 1.069 155 A HN 0.605 nan 8.150 nan 0.000 0.492 156 P HA -0.036 nan 4.420 nan 0.000 0.261 156 P C 0.216 176.913 177.300 -1.005 0.000 1.173 156 P CA 0.510 62.966 63.100 -1.074 0.000 0.760 156 P CB -0.028 30.608 31.700 -1.773 0.000 0.783 157 Y N 2.951 122.904 120.300 -0.578 0.000 2.283 157 Y HA -0.255 4.295 4.550 -0.000 0.000 0.285 157 Y C 1.529 177.285 175.900 -0.240 0.000 1.176 157 Y CA 1.103 59.015 58.100 -0.313 0.000 1.229 157 Y CB -1.791 36.588 38.460 -0.136 0.000 0.975 157 Y HN 0.313 nan 8.280 nan 0.000 0.537 158 F N -1.767 117.765 119.950 -0.696 0.000 2.743 158 F HA 0.272 4.799 4.527 -0.000 0.000 0.297 158 F C 1.707 177.326 175.800 -0.303 0.000 1.131 158 F CA -0.001 57.708 58.000 -0.486 0.000 1.426 158 F CB -0.664 37.953 39.000 -0.639 0.000 1.116 158 F HN 0.014 nan 8.300 nan 0.000 0.583 159 M N 1.140 120.408 119.600 -0.554 0.000 2.502 159 M HA 0.102 4.582 4.480 -0.000 0.000 0.243 159 M C 0.845 176.977 176.300 -0.281 0.000 1.130 159 M CA 0.273 55.354 55.300 -0.365 0.000 1.055 159 M CB -0.198 32.096 32.600 -0.510 0.000 1.457 159 M HN 0.264 nan 8.290 nan 0.000 0.488 160 T N -1.629 112.765 114.554 -0.266 0.000 2.788 160 T HA 0.243 4.593 4.350 -0.000 0.000 0.280 160 T C 0.985 175.631 174.700 -0.090 0.000 0.984 160 T CA -0.484 61.505 62.100 -0.186 0.000 0.972 160 T CB 1.383 70.154 68.868 -0.162 0.000 1.039 160 T HN 0.247 nan 8.240 nan 0.000 0.530 161 R N -0.001 120.464 120.500 -0.058 0.000 2.173 161 R HA 0.076 4.416 4.340 -0.000 0.000 0.208 161 R C 2.407 178.702 176.300 -0.010 0.000 1.035 161 R CA 0.924 57.012 56.100 -0.021 0.000 1.004 161 R CB -0.029 30.268 30.300 -0.004 0.000 0.917 161 R HN 0.812 nan 8.270 nan 0.000 0.462 162 S N -0.174 115.520 115.700 -0.010 0.000 2.575 162 S HA 0.256 4.726 4.470 -0.000 0.000 0.215 162 S C 1.046 175.655 174.600 0.015 0.000 0.966 162 S CA 0.209 58.411 58.200 0.004 0.000 0.911 162 S CB 0.876 64.083 63.200 0.011 0.000 0.780 162 S HN 0.290 nan 8.310 nan 0.000 0.514 163 A N -0.267 122.566 122.820 0.021 0.000 2.832 163 A HA -0.067 4.253 4.320 -0.000 0.000 0.280 163 A C 0.538 178.184 177.584 0.103 0.000 1.464 163 A CA 0.882 52.961 52.037 0.070 0.000 0.804 163 A CB -2.153 16.888 19.000 0.069 0.000 1.020 163 A HN 1.406 nan 8.150 nan 0.000 0.563 164 S N -2.751 112.984 115.700 0.059 0.000 2.552 164 S HA 0.595 5.065 4.470 -0.000 0.000 0.272 164 S C 0.855 175.456 174.600 0.002 0.000 1.150 164 S CA 1.023 59.242 58.200 0.031 0.000 0.849 164 S CB 1.019 64.219 63.200 -0.000 0.000 1.113 164 S HN 1.637 nan 8.310 nan 0.000 0.458 165 T N 0.179 114.724 114.554 -0.016 0.000 3.085 165 T HA 0.176 4.526 4.350 -0.000 0.000 0.263 165 T C 0.503 175.188 174.700 -0.024 0.000 1.127 165 T CA 0.516 62.587 62.100 -0.049 0.000 1.103 165 T CB -0.276 68.556 68.868 -0.060 0.000 0.921 165 T HN 0.375 nan 8.240 nan 0.000 0.510 166 V N 4.015 123.933 119.914 0.007 0.000 2.353 166 V HA 0.375 4.495 4.120 -0.000 0.000 0.264 166 V C 0.817 176.952 176.094 0.069 0.000 1.049 166 V CA -0.773 61.560 62.300 0.055 0.000 0.896 166 V CB 0.210 32.067 31.823 0.057 0.000 1.025 166 V HN 0.704 nan 8.190 nan 0.000 0.475 167 S N 3.502 119.267 115.700 0.108 0.000 2.589 167 S HA 0.212 4.682 4.470 -0.000 0.000 0.265 167 S C 0.881 175.569 174.600 0.146 0.000 1.342 167 S CA 0.195 58.464 58.200 0.116 0.000 1.005 167 S CB 1.152 64.449 63.200 0.162 0.000 0.909 167 S HN 0.899 nan 8.310 nan 0.000 0.555 168 T N -2.890 111.707 114.554 0.073 0.000 3.091 168 T HA 0.388 4.738 4.350 -0.000 0.000 0.277 168 T C -0.583 173.997 174.700 -0.201 0.000 0.996 168 T CA 0.048 62.164 62.100 0.027 0.000 0.897 168 T CB -0.781 68.096 68.868 0.014 0.000 1.109 168 T HN 0.874 nan 8.240 nan 0.000 0.534 169 D N -0.613 119.605 120.400 -0.303 0.000 2.692 169 D HA 0.284 4.924 4.640 -0.000 0.000 0.303 169 D C -0.458 175.614 176.300 -0.380 0.000 1.278 169 D CA -0.830 52.814 54.000 -0.595 0.000 0.852 169 D CB 0.772 41.401 40.800 -0.284 0.000 1.375 169 D HN -0.050 nan 8.370 nan 0.000 0.453 170 Q N -0.677 118.890 119.800 -0.388 0.000 2.182 170 Q HA 0.191 4.531 4.340 -0.000 0.000 0.305 170 Q C -0.438 175.214 176.000 -0.580 0.000 0.880 170 Q CA -0.289 55.232 55.803 -0.470 0.000 1.131 170 Q CB 0.315 28.772 28.738 -0.469 0.000 1.237 170 Q HN 0.387 nan 8.270 nan 0.000 0.447 171 D N -0.322 119.950 120.400 -0.213 0.000 2.162 171 D HA -0.014 4.626 4.640 -0.000 0.000 0.203 171 D C 1.137 177.521 176.300 0.141 0.000 0.967 171 D CA 1.026 54.987 54.000 -0.065 0.000 0.840 171 D CB 0.311 41.101 40.800 -0.016 0.000 0.972 171 D HN 0.518 nan 8.370 nan 0.000 0.482 172 C N -1.876 117.590 119.300 0.278 0.000 3.269 172 C HA 0.460 4.920 4.460 -0.000 0.000 0.361 172 C C -0.461 174.773 174.990 0.406 0.000 1.962 172 C CA -1.472 57.803 59.018 0.428 0.000 1.118 172 C CB 0.461 28.351 27.740 0.250 0.000 2.272 172 C HN 0.130 nan 8.230 nan 0.000 0.409 173 I N 2.661 123.380 120.570 0.247 0.000 2.452 173 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 173 I C 0.492 176.654 176.117 0.074 0.000 1.079 173 I CA 0.191 61.577 61.300 0.142 0.000 1.387 173 I CB 0.502 38.543 38.000 0.067 0.000 1.404 173 I HN 0.749 nan 8.210 nan 0.000 0.522 174 N N 7.147 125.878 118.700 0.051 0.000 3.058 174 N HA 0.013 4.753 4.740 -0.000 0.000 0.317 174 N C -1.069 174.371 175.510 -0.117 0.000 1.266 174 N CA 0.197 53.240 53.050 -0.013 0.000 1.145 174 N CB -0.588 37.897 38.487 -0.003 0.000 1.426 174 N HN 0.478 nan 8.380 nan 0.000 0.561 175 L N -0.081 121.061 121.223 -0.135 0.000 2.422 175 L HA 0.432 4.772 4.340 -0.000 0.000 0.264 175 L C -0.675 176.125 176.870 -0.116 0.000 0.984 175 L CA -0.694 54.001 54.840 -0.242 0.000 0.819 175 L CB 1.883 43.668 42.059 -0.456 0.000 1.330 175 L HN 0.123 nan 8.230 nan 0.000 0.410 176 Q N 2.695 122.445 119.800 -0.085 0.000 2.332 176 Q HA 0.137 4.477 4.340 -0.000 0.000 0.263 176 Q C 0.503 176.590 176.000 0.144 0.000 0.979 176 Q CA -0.160 55.657 55.803 0.025 0.000 0.885 176 Q CB 0.764 29.508 28.738 0.010 0.000 1.218 176 Q HN 0.638 nan 8.270 nan 0.000 0.405 177 N N 2.011 120.838 118.700 0.211 0.000 2.184 177 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 177 N C 0.715 176.418 175.510 0.320 0.000 1.011 177 N CA 1.470 54.708 53.050 0.314 0.000 0.867 177 N CB 0.038 38.627 38.487 0.169 0.000 0.993 177 N HN 0.654 nan 8.380 nan 0.000 0.433 178 D N -1.015 119.514 120.400 0.215 0.000 2.388 178 D HA 0.012 4.652 4.640 -0.000 0.000 0.221 178 D C 0.454 176.873 176.300 0.198 0.000 1.133 178 D CA 0.095 54.207 54.000 0.186 0.000 0.831 178 D CB 0.180 41.048 40.800 0.112 0.000 0.962 178 D HN -0.028 nan 8.370 nan 0.000 0.502 179 K N -0.170 120.362 120.400 0.219 0.000 2.358 179 K HA 0.139 4.459 4.320 -0.000 0.000 0.200 179 K C 1.207 177.892 176.600 0.142 0.000 1.030 179 K CA -0.342 56.018 56.287 0.123 0.000 1.097 179 K CB -0.253 32.243 32.500 -0.006 0.000 0.862 179 K HN 0.075 nan 8.250 nan 0.000 0.534 180 F N 3.292 123.307 119.950 0.108 0.000 2.063 180 F HA -0.308 4.219 4.527 -0.000 0.000 0.298 180 F C 2.168 178.037 175.800 0.115 0.000 1.109 180 F CA 2.126 60.204 58.000 0.129 0.000 1.212 180 F CB -0.699 38.347 39.000 0.077 0.000 0.973 180 F HN 0.198 nan 8.300 nan 0.000 0.480 181 D N -0.291 120.278 120.400 0.281 0.000 2.117 181 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 181 D C 1.491 177.897 176.300 0.176 0.000 0.987 181 D CA 1.749 55.856 54.000 0.178 0.000 0.829 181 D CB -0.987 39.895 40.800 0.136 0.000 0.961 181 D HN 0.334 nan 8.370 nan 0.000 0.460 182 D N -0.239 120.276 120.400 0.192 0.000 2.097 182 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 182 D C 1.873 178.353 176.300 0.301 0.000 0.989 182 D CA 0.671 54.794 54.000 0.205 0.000 0.827 182 D CB -0.399 40.493 40.800 0.153 0.000 0.966 182 D HN 0.153 nan 8.370 nan 0.000 0.456 183 F N 2.416 122.410 119.950 0.074 0.000 2.075 183 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 183 F C 2.364 178.275 175.800 0.185 0.000 1.113 183 F CA 1.110 59.170 58.000 0.100 0.000 1.218 183 F CB -0.876 38.093 39.000 -0.051 0.000 0.984 183 F HN -0.106 nan 8.300 nan 0.000 0.472 184 A N 0.903 123.722 122.820 -0.001 0.000 1.903 184 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 184 A C 2.430 180.022 177.584 0.013 0.000 1.191 184 A CA 2.278 54.261 52.037 -0.090 0.000 0.638 184 A CB -0.847 18.134 19.000 -0.033 0.000 0.823 184 A HN 0.503 nan 8.150 nan 0.000 0.451 185 R N -2.075 118.498 120.500 0.122 0.000 2.075 185 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 185 R C 2.067 178.504 176.300 0.228 0.000 1.126 185 R CA 1.399 57.589 56.100 0.150 0.000 0.963 185 R CB -0.553 29.850 30.300 0.173 0.000 0.858 185 R HN 0.645 nan 8.270 nan 0.000 0.435 186 F N 1.834 121.916 119.950 0.221 0.000 2.095 186 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 186 F C 1.786 177.765 175.800 0.299 0.000 1.104 186 F CA 1.497 59.700 58.000 0.339 0.000 1.232 186 F CB -0.379 38.824 39.000 0.339 0.000 0.987 186 F HN -0.110 nan 8.300 nan 0.000 0.475 187 L N -0.560 120.556 121.223 -0.178 0.000 2.201 187 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 187 L C 2.296 179.107 176.870 -0.098 0.000 1.105 187 L CA 0.684 55.352 54.840 -0.286 0.000 0.775 187 L CB -0.552 41.376 42.059 -0.218 0.000 0.913 187 L HN 0.115 nan 8.230 nan 0.000 0.440 188 V N -0.489 119.399 119.914 -0.043 0.000 2.446 188 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 188 V C 2.449 178.546 176.094 0.004 0.000 1.039 188 V CA 1.373 63.667 62.300 -0.011 0.000 1.045 188 V CB -0.121 31.695 31.823 -0.011 0.000 0.681 188 V HN 0.341 nan 8.190 nan 0.000 0.459 189 K N 0.958 121.365 120.400 0.012 0.000 2.034 189 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 189 K C 2.247 178.865 176.600 0.030 0.000 1.051 189 K CA 2.380 58.656 56.287 -0.017 0.000 0.931 189 K CB -0.626 31.840 32.500 -0.057 0.000 0.715 189 K HN 0.403 nan 8.250 nan 0.000 0.446 190 S N 0.299 116.062 115.700 0.106 0.000 2.359 190 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 190 S C 2.081 176.934 174.600 0.421 0.000 1.039 190 S CA 1.354 59.737 58.200 0.305 0.000 1.042 190 S CB -0.750 62.597 63.200 0.244 0.000 0.915 190 S HN 0.566 nan 8.310 nan 0.000 0.439 191 A N 1.156 124.163 122.820 0.313 0.000 1.908 191 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 191 A C 2.149 179.777 177.584 0.074 0.000 1.181 191 A CA 2.013 54.147 52.037 0.162 0.000 0.627 191 A CB -0.852 18.136 19.000 -0.020 0.000 0.818 191 A HN 0.578 nan 8.150 nan 0.000 0.445 192 Q N -1.211 118.599 119.800 0.017 0.000 2.030 192 Q HA -0.303 4.037 4.340 -0.000 0.000 0.204 192 Q C 2.000 177.927 176.000 -0.122 0.000 0.986 192 Q CA 2.265 58.036 55.803 -0.054 0.000 0.843 192 Q CB -0.360 28.339 28.738 -0.066 0.000 0.904 192 Q HN 0.866 nan 8.270 nan 0.000 0.420 193 H N -0.803 118.071 119.070 -0.327 0.000 2.321 193 H HA -0.206 4.350 4.556 -0.000 0.000 0.295 193 H C 1.422 176.413 175.328 -0.561 0.000 1.102 193 H CA 2.556 58.198 56.048 -0.676 0.000 1.266 193 H CB -0.375 28.492 29.762 -1.491 0.000 1.363 193 H HN 0.348 nan 8.280 nan 0.000 0.492 194 F N -0.121 119.688 119.950 -0.235 0.000 2.293 194 F HA 0.082 4.609 4.527 -0.000 0.000 0.297 194 F C 2.654 178.429 175.800 -0.041 0.000 1.089 194 F CA 0.671 58.605 58.000 -0.111 0.000 1.377 194 F CB -0.084 38.943 39.000 0.044 0.000 1.051 194 F HN 0.044 nan 8.300 nan 0.000 0.511 195 R N 0.512 121.048 120.500 0.060 0.000 2.096 195 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 195 R C 1.640 177.886 176.300 -0.090 0.000 1.127 195 R CA 1.497 57.593 56.100 -0.006 0.000 0.968 195 R CB -0.493 29.792 30.300 -0.025 0.000 0.861 195 R HN 0.367 nan 8.270 nan 0.000 0.440 196 E N 0.437 120.538 120.200 -0.165 0.000 2.516 196 E HA -0.117 4.233 4.350 -0.000 0.000 0.199 196 E C 1.165 177.617 176.600 -0.247 0.000 1.069 196 E CA 0.462 56.740 56.400 -0.204 0.000 0.876 196 E CB 0.253 29.812 29.700 -0.235 0.000 0.843 196 E HN 0.418 nan 8.360 nan 0.000 0.530 197 Q N -0.913 118.738 119.800 -0.248 0.000 2.247 197 Q HA 0.154 4.494 4.340 -0.000 0.000 0.211 197 Q C 0.889 176.668 176.000 -0.369 0.000 0.861 197 Q CA 0.417 56.067 55.803 -0.256 0.000 0.949 197 Q CB 1.509 30.140 28.738 -0.178 0.000 1.115 197 Q HN 0.327 nan 8.270 nan 0.000 0.507 198 G N 1.164 109.763 108.800 -0.334 0.000 2.159 198 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.227 198 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.227 198 G C -0.236 174.276 174.900 -0.647 0.000 0.986 198 G CA -0.545 44.283 45.100 -0.453 0.000 0.651 198 G HN 0.253 nan 8.290 nan 0.000 0.523 199 F N 1.413 121.229 119.950 -0.223 0.000 2.438 199 F HA 0.470 4.997 4.527 -0.000 0.000 0.356 199 F C 1.212 176.947 175.800 -0.108 0.000 1.099 199 F CA -0.454 57.442 58.000 -0.174 0.000 1.185 199 F CB 0.553 39.436 39.000 -0.195 0.000 1.115 199 F HN 0.133 nan 8.300 nan 0.000 0.526 200 H N 2.478 121.728 119.070 0.300 0.000 3.118 200 H HA 0.251 4.807 4.556 -0.000 0.000 0.266 200 H C -0.513 174.893 175.328 0.129 0.000 1.465 200 H CA -0.660 55.466 56.048 0.130 0.000 1.460 200 H CB 0.153 29.948 29.762 0.056 0.000 1.661 200 H HN 0.294 nan 8.280 nan 0.000 0.516 201 V N 3.821 123.773 119.914 0.063 0.000 2.352 201 V HA -0.049 4.071 4.120 -0.000 0.000 0.253 201 V C 0.755 176.718 176.094 -0.219 0.000 1.083 201 V CA -0.225 61.952 62.300 -0.205 0.000 0.993 201 V CB 0.395 31.808 31.823 -0.683 0.000 1.111 201 V HN 0.817 nan 8.190 nan 0.000 0.490 202 N N 3.116 121.668 118.700 -0.246 0.000 2.409 202 N HA 0.083 4.823 4.740 -0.000 0.000 0.174 202 N C -0.102 174.904 175.510 -0.840 0.000 1.037 202 N CA 0.787 53.480 53.050 -0.596 0.000 0.898 202 N CB 0.336 38.329 38.487 -0.824 0.000 1.010 202 N HN 0.636 nan 8.380 nan 0.000 0.445 203 Y N -0.359 119.868 120.300 -0.121 0.000 2.570 203 Y HA 0.619 5.169 4.550 -0.000 0.000 0.345 203 Y C -0.261 175.625 175.900 -0.024 0.000 1.014 203 Y CA -0.922 57.115 58.100 -0.104 0.000 1.063 203 Y CB 2.135 40.550 38.460 -0.074 0.000 1.272 203 Y HN -0.300 nan 8.280 nan 0.000 0.477 204 I N 1.432 122.106 120.570 0.173 0.000 2.529 204 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 204 I C -0.845 175.363 176.117 0.152 0.000 1.088 204 I CA -0.428 60.968 61.300 0.160 0.000 1.062 204 I CB 1.956 39.995 38.000 0.066 0.000 1.218 204 I HN 0.516 nan 8.210 nan 0.000 0.442 205 S N 8.146 123.969 115.700 0.205 0.000 2.512 205 S HA 0.398 4.868 4.470 -0.000 0.000 0.291 205 S C -1.407 173.299 174.600 0.175 0.000 1.151 205 S CA -1.537 56.769 58.200 0.176 0.000 1.120 205 S CB 0.601 63.920 63.200 0.199 0.000 1.029 205 S HN 0.452 nan 8.310 nan 0.000 0.485 206 P HA 0.052 nan 4.420 nan 0.000 0.229 206 P C -0.459 176.933 177.300 0.153 0.000 1.160 206 P CA 0.444 63.577 63.100 0.055 0.000 0.777 206 P CB 0.014 31.665 31.700 -0.082 0.000 0.814 207 N N -0.369 118.405 118.700 0.123 0.000 2.310 207 N HA 0.299 5.039 4.740 -0.000 0.000 0.292 207 N C -1.198 174.364 175.510 0.086 0.000 1.049 207 N CA -0.517 52.591 53.050 0.096 0.000 0.849 207 N CB 1.171 39.690 38.487 0.053 0.000 1.532 207 N HN -0.172 nan 8.380 nan 0.000 0.479 208 N N 0.528 119.268 118.700 0.068 0.000 2.361 208 N HA 0.212 4.952 4.740 -0.000 0.000 0.302 208 N C -1.038 174.535 175.510 0.105 0.000 1.074 208 N CA -0.459 52.645 53.050 0.091 0.000 0.850 208 N CB 1.000 39.547 38.487 0.100 0.000 1.228 208 N HN 0.439 nan 8.380 nan 0.000 0.491 209 E N 1.276 121.560 120.200 0.139 0.000 2.024 209 E HA -0.189 4.161 4.350 -0.000 0.000 0.171 209 E C -1.607 175.132 176.600 0.231 0.000 1.417 209 E CA 0.024 56.535 56.400 0.186 0.000 0.650 209 E CB -0.632 29.307 29.700 0.399 0.000 1.044 209 E HN 0.618 nan 8.360 nan 0.000 0.308 210 P HA -0.217 nan 4.420 nan 0.000 0.225 210 P C 0.939 178.122 177.300 -0.195 0.000 1.148 210 P CA 1.181 64.242 63.100 -0.065 0.000 0.779 210 P CB 0.005 31.613 31.700 -0.153 0.000 0.780 211 N N 0.241 118.813 118.700 -0.213 0.000 2.309 211 N HA -0.070 4.670 4.740 -0.000 0.000 0.182 211 N C 1.174 176.672 175.510 -0.020 0.000 1.018 211 N CA 0.584 53.458 53.050 -0.293 0.000 0.876 211 N CB -1.151 36.728 38.487 -1.014 0.000 0.972 211 N HN 0.011 nan 8.380 nan 0.000 0.434 212 G N 0.517 109.316 108.800 -0.002 0.000 2.544 212 G HA2 0.017 3.977 3.960 -0.000 0.000 0.242 212 G HA3 0.017 3.977 3.960 -0.000 0.000 0.242 212 G C -0.467 174.361 174.900 -0.120 0.000 1.247 212 G CA -0.476 44.457 45.100 -0.279 0.000 0.840 212 G HN 0.325 nan 8.290 nan 0.000 0.578 213 Q N 1.398 121.057 119.800 -0.236 0.000 2.815 213 Q HA 0.090 4.430 4.340 -0.000 0.000 0.235 213 Q C 0.279 176.152 176.000 -0.213 0.000 1.354 213 Q CA -0.379 55.334 55.803 -0.149 0.000 0.953 213 Q CB 0.016 28.640 28.738 -0.190 0.000 1.613 213 Q HN 0.747 nan 8.270 nan 0.000 0.572 214 W N 0.869 122.220 121.300 0.086 0.000 2.436 214 W HA -0.151 4.509 4.660 -0.000 0.000 0.284 214 W C 2.272 178.815 176.519 0.040 0.000 1.225 214 W CA 0.865 58.255 57.345 0.075 0.000 1.271 214 W CB 0.112 29.648 29.460 0.126 0.000 1.114 214 W HN 0.735 nan 8.180 nan 0.000 0.559 215 H N -0.676 118.529 119.070 0.224 0.000 2.543 215 H HA 0.043 4.599 4.556 -0.000 0.000 0.286 215 H C 1.619 176.998 175.328 0.086 0.000 1.037 215 H CA 1.420 57.547 56.048 0.131 0.000 1.250 215 H CB -0.483 29.321 29.762 0.071 0.000 1.373 215 H HN 0.148 nan 8.280 nan 0.000 0.580 216 A N 0.488 123.064 122.820 -0.406 0.000 2.251 216 A HA 0.024 4.344 4.320 -0.000 0.000 0.209 216 A C 0.691 178.227 177.584 -0.080 0.000 1.187 216 A CA -0.127 51.738 52.037 -0.287 0.000 0.823 216 A CB -0.087 18.697 19.000 -0.360 0.000 0.846 216 A HN 0.380 nan 8.150 nan 0.000 0.486 217 N N 0.228 118.952 118.700 0.040 0.000 2.491 217 N HA 0.174 4.914 4.740 -0.000 0.000 0.274 217 N C 0.115 175.748 175.510 0.204 0.000 1.023 217 N CA 0.459 53.596 53.050 0.145 0.000 0.902 217 N CB 1.685 40.321 38.487 0.248 0.000 1.267 217 N HN 0.080 nan 8.380 nan 0.000 0.503 218 S N 2.530 118.330 115.700 0.166 0.000 2.568 218 S HA 0.102 4.572 4.470 -0.000 0.000 0.232 218 S C 1.082 175.781 174.600 0.166 0.000 0.975 218 S CA -0.444 57.842 58.200 0.142 0.000 0.949 218 S CB -0.418 62.836 63.200 0.091 0.000 0.829 218 S HN 0.466 nan 8.310 nan 0.000 0.479 219 F N 2.703 122.678 119.950 0.041 0.000 2.604 219 F HA 0.348 4.875 4.527 -0.000 0.000 0.298 219 F C 0.804 176.553 175.800 -0.085 0.000 1.131 219 F CA 0.417 58.404 58.000 -0.020 0.000 1.457 219 F CB 0.073 39.075 39.000 0.003 0.000 1.095 219 F HN 0.383 nan 8.300 nan 0.000 0.574 220 Q N 0.123 119.951 119.800 0.046 0.000 2.721 220 Q HA 0.138 4.478 4.340 -0.000 0.000 0.282 220 Q C -1.339 174.710 176.000 0.082 0.000 0.932 220 Q CA -0.772 55.052 55.803 0.036 0.000 0.816 220 Q CB 1.237 30.171 28.738 0.328 0.000 1.506 220 Q HN 0.163 nan 8.270 nan 0.000 0.399 221 E N 0.039 120.264 120.200 0.043 0.000 2.366 221 E HA 0.608 4.958 4.350 -0.000 0.000 0.266 221 E C -0.180 176.279 176.600 -0.235 0.000 1.051 221 E CA 0.027 56.401 56.400 -0.043 0.000 0.884 221 E CB 1.254 30.934 29.700 -0.034 0.000 1.006 221 E HN 0.679 nan 8.360 nan 0.000 0.417 222 G N 0.363 108.970 108.800 -0.321 0.000 2.519 222 G HA2 0.386 4.346 3.960 -0.000 0.000 0.292 222 G HA3 0.386 4.346 3.960 -0.000 0.000 0.292 222 G C -1.492 173.165 174.900 -0.405 0.000 1.507 222 G CA -0.532 44.099 45.100 -0.781 0.000 0.806 222 G HN 0.343 nan 8.290 nan 0.000 0.523 223 S N -0.375 115.054 115.700 -0.451 0.000 2.603 223 S HA 0.574 5.044 4.470 -0.000 0.000 0.274 223 S C -0.753 173.980 174.600 0.222 0.000 1.168 223 S CA -0.638 57.562 58.200 0.000 0.000 0.963 223 S CB 0.723 63.913 63.200 -0.016 0.000 1.078 223 S HN 1.257 nan 8.310 nan 0.000 0.477 224 F N 4.495 124.650 119.950 0.342 0.000 2.628 224 F HA 0.438 4.965 4.527 -0.000 0.000 0.362 224 F C 0.215 176.099 175.800 0.141 0.000 1.148 224 F CA 1.156 59.313 58.000 0.262 0.000 1.352 224 F CB 0.324 39.451 39.000 0.212 0.000 1.081 224 F HN 0.721 nan 8.300 nan 0.000 0.605 225 A N 3.270 125.609 122.820 -0.802 0.000 2.594 225 A HA 0.552 4.872 4.320 -0.000 0.000 0.296 225 A C -0.502 176.640 177.584 -0.737 0.000 1.061 225 A CA -0.270 51.443 52.037 -0.540 0.000 0.689 225 A CB 0.699 19.596 19.000 -0.171 0.000 1.280 225 A HN 0.974 nan 8.150 nan 0.000 0.406 226 T N -0.592 113.742 114.554 -0.367 0.000 2.899 226 T HA 0.405 4.755 4.350 -0.000 0.000 0.284 226 T C 0.910 175.485 174.700 -0.208 0.000 1.004 226 T CA -0.198 61.768 62.100 -0.222 0.000 1.043 226 T CB 0.956 69.805 68.868 -0.032 0.000 1.013 226 T HN 0.640 nan 8.240 nan 0.000 0.518 227 K N 1.238 121.483 120.400 -0.258 0.000 2.113 227 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 227 K C 2.559 178.787 176.600 -0.620 0.000 1.047 227 K CA 1.446 57.502 56.287 -0.386 0.000 0.928 227 K CB -0.674 31.578 32.500 -0.414 0.000 0.716 227 K HN 0.742 nan 8.250 nan 0.000 0.446 228 A N 1.928 124.277 122.820 -0.785 0.000 1.978 228 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 228 A C 1.573 179.117 177.584 -0.067 0.000 1.170 228 A CA 1.863 53.637 52.037 -0.439 0.000 0.636 228 A CB -0.320 18.573 19.000 -0.179 0.000 0.810 228 A HN 0.205 nan 8.150 nan 0.000 0.448 229 D N 0.239 120.632 120.400 -0.011 0.000 2.085 229 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 229 D C 2.042 178.460 176.300 0.196 0.000 0.981 229 D CA 1.118 55.236 54.000 0.198 0.000 0.834 229 D CB -0.527 40.375 40.800 0.170 0.000 0.992 229 D HN 0.431 nan 8.370 nan 0.000 0.457 230 L N 0.180 121.432 121.223 0.049 0.000 2.051 230 L HA -0.262 4.078 4.340 -0.000 0.000 0.214 230 L C 2.579 179.468 176.870 0.032 0.000 1.076 230 L CA 1.361 56.219 54.840 0.029 0.000 0.758 230 L CB -0.672 41.375 42.059 -0.020 0.000 0.890 230 L HN 0.094 nan 8.230 nan 0.000 0.433 231 Y N 0.951 121.212 120.300 -0.066 0.000 2.097 231 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 231 Y C 2.840 178.729 175.900 -0.018 0.000 1.152 231 Y CA 1.666 59.763 58.100 -0.004 0.000 1.136 231 Y CB -0.194 38.307 38.460 0.069 0.000 0.975 231 Y HN -0.026 nan 8.280 nan 0.000 0.498 232 R N -0.996 119.511 120.500 0.012 0.000 2.092 232 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 232 R C 2.187 178.461 176.300 -0.043 0.000 1.119 232 R CA 1.465 57.497 56.100 -0.113 0.000 0.970 232 R CB -0.259 29.832 30.300 -0.348 0.000 0.864 232 R HN 0.374 nan 8.270 nan 0.000 0.440 233 M N 0.218 119.890 119.600 0.119 0.000 2.117 233 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 233 M C 2.334 178.541 176.300 -0.155 0.000 1.065 233 M CA 1.480 56.830 55.300 0.082 0.000 1.114 233 M CB -0.613 32.041 32.600 0.090 0.000 1.361 233 M HN -0.036 nan 8.290 nan 0.000 0.408 234 V N -0.064 119.677 119.914 -0.288 0.000 2.358 234 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 234 V C 2.304 177.883 176.094 -0.859 0.000 1.047 234 V CA 2.047 64.056 62.300 -0.484 0.000 1.035 234 V CB -1.019 30.517 31.823 -0.478 0.000 0.658 234 V HN 0.517 nan 8.190 nan 0.000 0.452 235 E N 0.268 119.829 120.200 -1.066 0.000 2.070 235 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 235 E C 2.194 178.518 176.600 -0.460 0.000 1.004 235 E CA 1.738 57.514 56.400 -1.039 0.000 0.805 235 E CB -0.060 29.252 29.700 -0.648 0.000 0.744 235 E HN 0.588 nan 8.360 nan 0.000 0.451 236 E N 0.398 120.441 120.200 -0.262 0.000 2.107 236 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 236 E C 2.347 178.876 176.600 -0.119 0.000 0.982 236 E CA 0.514 56.852 56.400 -0.104 0.000 0.809 236 E CB -0.178 29.541 29.700 0.031 0.000 0.756 236 E HN 0.398 nan 8.360 nan 0.000 0.459 237 L N 0.948 122.066 121.223 -0.175 0.000 2.093 237 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 237 L C 2.333 179.117 176.870 -0.143 0.000 1.085 237 L CA 1.393 56.142 54.840 -0.152 0.000 0.755 237 L CB -0.286 41.674 42.059 -0.165 0.000 0.904 237 L HN 0.092 nan 8.230 nan 0.000 0.435 238 D N 0.218 120.485 120.400 -0.222 0.000 2.092 238 D HA -0.289 4.351 4.640 -0.000 0.000 0.193 238 D C 2.217 178.479 176.300 -0.063 0.000 0.994 238 D CA 1.636 55.547 54.000 -0.149 0.000 0.828 238 D CB 0.051 40.715 40.800 -0.227 0.000 0.963 238 D HN 0.080 nan 8.370 nan 0.000 0.450 239 K N -0.298 120.063 120.400 -0.066 0.000 2.057 239 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 239 K C 2.050 178.645 176.600 -0.008 0.000 1.049 239 K CA 1.283 57.562 56.287 -0.012 0.000 0.931 239 K CB -0.250 32.249 32.500 -0.003 0.000 0.714 239 K HN 0.173 nan 8.250 nan 0.000 0.440 240 A N 1.422 124.231 122.820 -0.019 0.000 1.873 240 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 240 A C 2.107 179.682 177.584 -0.014 0.000 1.186 240 A CA 1.465 53.498 52.037 -0.006 0.000 0.616 240 A CB -0.580 18.418 19.000 -0.004 0.000 0.823 240 A HN 0.353 nan 8.150 nan 0.000 0.442 241 I N -0.219 120.333 120.570 -0.030 0.000 2.163 241 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 241 I C 2.738 178.844 176.117 -0.019 0.000 1.085 241 I CA 1.597 62.878 61.300 -0.030 0.000 1.347 241 I CB -0.329 37.647 38.000 -0.040 0.000 1.044 241 I HN 0.233 nan 8.210 nan 0.000 0.408 242 S N -0.004 115.690 115.700 -0.009 0.000 2.356 242 S HA -0.223 4.247 4.470 -0.000 0.000 0.223 242 S C 1.917 176.518 174.600 0.002 0.000 1.032 242 S CA 1.349 59.550 58.200 0.001 0.000 1.005 242 S CB -0.261 62.948 63.200 0.015 0.000 0.867 242 S HN 0.413 nan 8.310 nan 0.000 0.449 243 E N 0.746 120.948 120.200 0.004 0.000 2.097 243 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 243 E C 2.020 178.620 176.600 0.001 0.000 1.000 243 E CA 1.290 57.694 56.400 0.007 0.000 0.804 243 E CB -0.158 29.550 29.700 0.014 0.000 0.740 243 E HN 0.516 nan 8.360 nan 0.000 0.454 244 A N -0.380 122.436 122.820 -0.006 0.000 2.147 244 A HA -0.027 4.293 4.320 -0.000 0.000 0.211 244 A C 0.407 177.978 177.584 -0.022 0.000 1.160 244 A CA 0.429 52.458 52.037 -0.014 0.000 0.781 244 A CB 0.163 19.152 19.000 -0.017 0.000 0.842 244 A HN 0.261 nan 8.150 nan 0.000 0.475 245 Q N -1.079 118.708 119.800 -0.021 0.000 2.493 245 Q HA -0.167 4.173 4.340 -0.000 0.000 0.278 245 Q C -0.431 175.548 176.000 -0.034 0.000 1.198 245 Q CA 0.852 56.641 55.803 -0.024 0.000 0.880 245 Q CB -2.476 26.250 28.738 -0.020 0.000 1.260 245 Q HN 0.906 nan 8.270 nan 0.000 0.470 246 I N -2.816 117.729 120.570 -0.041 0.000 2.392 246 I HA 0.409 4.579 4.170 -0.000 0.000 0.295 246 I C 0.156 176.233 176.117 -0.067 0.000 0.985 246 I CA -0.766 60.502 61.300 -0.054 0.000 1.221 246 I CB 1.246 39.210 38.000 -0.059 0.000 1.366 246 I HN -0.147 nan 8.210 nan 0.000 0.467 247 D N 5.915 126.268 120.400 -0.078 0.000 2.600 247 D HA 0.161 4.801 4.640 -0.000 0.000 0.226 247 D C -0.396 175.813 176.300 -0.151 0.000 1.119 247 D CA 0.358 54.297 54.000 -0.101 0.000 1.051 247 D CB 0.274 41.013 40.800 -0.103 0.000 1.106 247 D HN 0.627 nan 8.370 nan 0.000 0.491 248 T N 0.898 115.367 114.554 -0.142 0.000 2.886 248 T HA 0.382 4.732 4.350 -0.000 0.000 0.292 248 T C 0.201 174.815 174.700 -0.143 0.000 1.012 248 T CA -0.851 61.137 62.100 -0.187 0.000 0.982 248 T CB 2.520 71.296 68.868 -0.153 0.000 1.018 248 T HN -0.018 nan 8.240 nan 0.000 0.451 249 K N 1.594 121.888 120.400 -0.176 0.000 2.281 249 K HA 0.666 4.986 4.320 -0.000 0.000 0.242 249 K C -0.723 175.898 176.600 0.035 0.000 0.971 249 K CA -0.922 55.337 56.287 -0.048 0.000 0.834 249 K CB 2.053 34.547 32.500 -0.009 0.000 1.181 249 K HN 0.441 nan 8.250 nan 0.000 0.435 250 I N 2.326 122.947 120.570 0.086 0.000 2.342 250 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 250 I C -0.724 175.493 176.117 0.166 0.000 1.010 250 I CA -0.690 60.662 61.300 0.086 0.000 1.308 250 I CB 0.786 38.793 38.000 0.012 0.000 1.400 250 I HN 0.251 nan 8.210 nan 0.000 0.488 251 L N 8.985 130.296 121.223 0.146 0.000 2.305 251 L HA 0.686 5.026 4.340 -0.000 0.000 0.284 251 L C -0.455 176.456 176.870 0.069 0.000 1.013 251 L CA -0.208 54.697 54.840 0.108 0.000 0.819 251 L CB 0.919 43.015 42.059 0.062 0.000 1.227 251 L HN 0.559 nan 8.230 nan 0.000 0.417 252 I N 2.412 123.032 120.570 0.083 0.000 3.145 252 I HA 0.714 4.884 4.170 -0.000 0.000 0.313 252 I C -2.308 173.855 176.117 0.076 0.000 1.122 252 I CA -1.842 59.516 61.300 0.097 0.000 0.987 252 I CB 2.395 40.479 38.000 0.140 0.000 1.236 252 I HN 0.367 nan 8.210 nan 0.000 0.453 253 P HA 0.139 nan 4.420 nan 0.000 0.272 253 P C -0.376 176.893 177.300 -0.052 0.000 1.276 253 P CA 0.393 63.511 63.100 0.031 0.000 0.871 253 P CB 0.325 32.059 31.700 0.057 0.000 1.313 254 E N -0.721 119.401 120.200 -0.130 0.000 2.513 254 E HA -0.111 4.239 4.350 -0.000 0.000 0.257 254 E C 0.407 176.693 176.600 -0.524 0.000 1.098 254 E CA 0.616 56.828 56.400 -0.314 0.000 0.752 254 E CB -2.572 27.100 29.700 -0.047 0.000 1.324 254 E HN 0.341 nan 8.360 nan 0.000 0.403 255 V N -2.462 117.247 119.914 -0.342 0.000 2.763 255 V HA 0.411 4.531 4.120 -0.000 0.000 0.306 255 V C 1.690 177.628 176.094 -0.261 0.000 1.059 255 V CA 0.771 62.933 62.300 -0.230 0.000 1.138 255 V CB 1.654 33.439 31.823 -0.063 0.000 0.940 255 V HN 0.187 nan 8.190 nan 0.000 0.489 256 G N 2.086 110.849 108.800 -0.063 0.000 2.813 256 G HA2 0.065 4.025 3.960 -0.000 0.000 0.209 256 G HA3 0.065 4.025 3.960 -0.000 0.000 0.209 256 G C 0.294 175.422 174.900 0.380 0.000 1.150 256 G CA 0.638 45.857 45.100 0.199 0.000 0.785 256 G HN 0.878 nan 8.290 nan 0.000 0.535 257 D N -1.161 119.446 120.400 0.345 0.000 2.857 257 D HA 0.300 4.940 4.640 -0.000 0.000 0.227 257 D C 1.168 177.675 176.300 0.345 0.000 1.192 257 D CA -0.630 53.636 54.000 0.444 0.000 0.857 257 D CB 1.688 42.834 40.800 0.575 0.000 1.645 257 D HN -0.097 nan 8.370 nan 0.000 0.482 258 M N 2.097 121.847 119.600 0.251 0.000 2.374 258 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 258 M C 2.021 178.365 176.300 0.073 0.000 1.067 258 M CA 0.913 56.301 55.300 0.145 0.000 1.103 258 M CB -0.011 32.674 32.600 0.142 0.000 1.402 258 M HN 0.413 nan 8.290 nan 0.000 0.444 259 K N 0.409 120.895 120.400 0.144 0.000 2.160 259 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 259 K C 0.981 177.518 176.600 -0.106 0.000 1.047 259 K CA 1.696 58.024 56.287 0.068 0.000 0.930 259 K CB -0.665 31.810 32.500 -0.041 0.000 0.720 259 K HN 0.341 nan 8.250 nan 0.000 0.450 260 Y N 1.429 121.745 120.300 0.027 0.000 2.632 260 Y HA 0.072 4.622 4.550 -0.000 0.000 0.301 260 Y C 1.719 177.561 175.900 -0.096 0.000 1.172 260 Y CA 0.246 58.349 58.100 0.005 0.000 1.328 260 Y CB -0.022 38.452 38.460 0.024 0.000 1.016 260 Y HN -0.004 nan 8.280 nan 0.000 0.529 261 L N -1.147 119.933 121.223 -0.239 0.000 2.395 261 L HA -0.015 4.325 4.340 -0.000 0.000 0.218 261 L C -0.433 176.081 176.870 -0.594 0.000 1.130 261 L CA 0.567 55.079 54.840 -0.546 0.000 0.826 261 L CB -0.109 41.400 42.059 -0.916 0.000 0.941 261 L HN 0.075 nan 8.230 nan 0.000 0.451 262 F N -1.256 118.748 119.950 0.091 0.000 2.577 262 F HA 0.339 4.866 4.527 -0.000 0.000 0.318 262 F C 0.460 176.297 175.800 0.061 0.000 1.065 262 F CA -1.630 56.422 58.000 0.088 0.000 0.929 262 F CB 0.859 39.889 39.000 0.050 0.000 1.237 262 F HN -0.241 nan 8.300 nan 0.000 0.468 263 E N 1.880 122.237 120.200 0.260 0.000 2.417 263 E HA 0.224 4.574 4.350 -0.000 0.000 0.261 263 E C 0.289 176.950 176.600 0.100 0.000 1.000 263 E CA 0.298 56.787 56.400 0.148 0.000 0.919 263 E CB 0.422 30.189 29.700 0.113 0.000 0.955 263 E HN 0.725 nan 8.360 nan 0.000 0.455 264 I N 0.201 120.805 120.570 0.057 0.000 4.779 264 I HA 0.327 4.497 4.170 -0.000 0.000 0.339 264 I C -0.441 175.686 176.117 0.017 0.000 1.293 264 I CA -0.585 60.722 61.300 0.012 0.000 1.324 264 I CB 0.645 38.606 38.000 -0.066 0.000 1.424 264 I HN 0.294 nan 8.210 nan 0.000 0.489 265 D N 0.240 120.667 120.400 0.045 0.000 2.579 265 D HA 0.354 4.994 4.640 -0.000 0.000 0.257 265 D C 0.102 176.438 176.300 0.060 0.000 1.176 265 D CA -0.381 53.650 54.000 0.052 0.000 0.914 265 D CB 1.459 42.297 40.800 0.064 0.000 1.431 265 D HN -0.109 nan 8.370 nan 0.000 0.454 266 S N -0.517 115.214 115.700 0.052 0.000 2.478 266 S HA 0.170 4.640 4.470 -0.000 0.000 0.222 266 S C 1.105 175.743 174.600 0.063 0.000 1.008 266 S CA -0.162 58.068 58.200 0.049 0.000 0.928 266 S CB -0.461 62.759 63.200 0.035 0.000 0.781 266 S HN 0.470 nan 8.310 nan 0.000 0.518 267 I N 2.432 123.047 120.570 0.074 0.000 2.587 267 I HA 0.076 4.246 4.170 -0.000 0.000 0.284 267 I C 1.513 177.697 176.117 0.112 0.000 1.134 267 I CA -0.463 60.889 61.300 0.087 0.000 1.410 267 I CB 0.597 38.652 38.000 0.092 0.000 1.392 267 I HN 0.113 nan 8.210 nan 0.000 0.545 268 A N 7.848 130.732 122.820 0.107 0.000 1.883 268 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 268 A C 2.306 179.984 177.584 0.156 0.000 1.186 268 A CA 1.958 54.069 52.037 0.125 0.000 0.624 268 A CB -0.470 18.596 19.000 0.110 0.000 0.822 268 A HN 0.898 nan 8.150 nan 0.000 0.444 269 K N -0.480 120.025 120.400 0.175 0.000 2.103 269 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 269 K C 0.112 176.895 176.600 0.305 0.000 1.048 269 K CA 1.470 57.908 56.287 0.251 0.000 0.930 269 K CB -1.081 31.596 32.500 0.295 0.000 0.716 269 K HN 0.259 nan 8.250 nan 0.000 0.444 270 T N 4.896 119.624 114.554 0.290 0.000 2.822 270 T HA 0.038 4.388 4.350 -0.000 0.000 0.288 270 T C -2.326 172.496 174.700 0.204 0.000 0.991 270 T CA -0.835 61.445 62.100 0.301 0.000 1.176 270 T CB 0.910 69.948 68.868 0.282 0.000 0.951 270 T HN 0.270 nan 8.240 nan 0.000 0.526 271 P HA 0.194 nan 4.420 nan 0.000 0.214 271 P C -0.395 177.034 177.300 0.214 0.000 1.826 271 P CA -0.505 62.632 63.100 0.061 0.000 0.977 271 P CB -0.140 31.488 31.700 -0.119 0.000 1.930 272 D N -0.830 119.738 120.400 0.281 0.000 2.511 272 D HA 0.125 4.765 4.640 -0.000 0.000 0.276 272 D C 0.190 176.602 176.300 0.187 0.000 1.220 272 D CA -0.615 53.549 54.000 0.273 0.000 1.077 272 D CB -0.333 40.580 40.800 0.188 0.000 1.126 272 D HN -0.082 nan 8.370 nan 0.000 0.583 273 D N -1.517 118.979 120.400 0.161 0.000 2.697 273 D HA -0.150 4.490 4.640 -0.000 0.000 0.235 273 D C 0.631 177.046 176.300 0.191 0.000 1.167 273 D CA 0.237 54.348 54.000 0.185 0.000 0.656 273 D CB -0.731 40.184 40.800 0.192 0.000 1.025 273 D HN 0.369 nan 8.370 nan 0.000 0.419 274 I N 0.015 120.676 120.570 0.151 0.000 2.333 274 I HA -0.148 4.022 4.170 -0.000 0.000 0.246 274 I C 2.500 178.798 176.117 0.302 0.000 1.106 274 I CA 0.600 62.025 61.300 0.208 0.000 1.411 274 I CB -0.682 37.434 38.000 0.193 0.000 1.082 274 I HN 0.350 nan 8.210 nan 0.000 0.420 275 I N 0.370 121.055 120.570 0.192 0.000 2.099 275 I HA -0.348 3.822 4.170 -0.000 0.000 0.239 275 I C 2.796 179.097 176.117 0.306 0.000 1.066 275 I CA 1.511 62.938 61.300 0.211 0.000 1.324 275 I CB -0.734 37.275 38.000 0.016 0.000 1.037 275 I HN 0.256 nan 8.210 nan 0.000 0.401 276 H N -0.344 118.924 119.070 0.330 0.000 2.293 276 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 276 H C 2.598 178.044 175.328 0.197 0.000 1.082 276 H CA 1.964 58.134 56.048 0.203 0.000 1.308 276 H CB -0.413 29.329 29.762 -0.033 0.000 1.375 276 H HN 0.258 nan 8.280 nan 0.000 0.495 277 S N -0.216 115.651 115.700 0.279 0.000 2.383 277 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 277 S C 2.047 176.754 174.600 0.179 0.000 1.026 277 S CA 1.054 59.381 58.200 0.213 0.000 0.981 277 S CB 0.059 63.408 63.200 0.249 0.000 0.818 277 S HN 0.268 nan 8.310 nan 0.000 0.472 278 M N -1.572 118.107 119.600 0.132 0.000 2.653 278 M HA 0.284 4.764 4.480 -0.000 0.000 0.259 278 M C 0.306 176.369 176.300 -0.394 0.000 1.244 278 M CA 0.494 55.715 55.300 -0.132 0.000 1.163 278 M CB 0.266 32.701 32.600 -0.274 0.000 1.309 278 M HN 0.238 nan 8.290 nan 0.000 0.509 279 F N -0.788 119.231 119.950 0.115 0.000 2.668 279 F HA 0.305 4.832 4.527 -0.000 0.000 0.301 279 F C -0.322 175.459 175.800 -0.032 0.000 1.106 279 F CA -0.468 57.541 58.000 0.014 0.000 1.289 279 F CB 0.334 39.310 39.000 -0.039 0.000 1.006 279 F HN -0.086 nan 8.300 nan 0.000 0.535 280 Y N 0.942 121.300 120.300 0.097 0.000 2.409 280 Y HA 0.205 4.755 4.550 -0.000 0.000 0.339 280 Y C 1.465 177.385 175.900 0.034 0.000 1.033 280 Y CA -1.327 56.827 58.100 0.090 0.000 1.094 280 Y CB 1.417 39.965 38.460 0.146 0.000 1.210 280 Y HN -0.017 nan 8.280 nan 0.000 0.456 281 K N 0.377 120.866 120.400 0.149 0.000 2.280 281 K HA -0.151 4.169 4.320 -0.000 0.000 0.202 281 K C 0.311 176.950 176.600 0.065 0.000 1.047 281 K CA 2.060 58.383 56.287 0.061 0.000 0.942 281 K CB 0.062 32.612 32.500 0.082 0.000 0.739 281 K HN 0.768 nan 8.250 nan 0.000 0.457 282 D N 0.496 120.964 120.400 0.113 0.000 2.369 282 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 282 D C 0.611 176.929 176.300 0.031 0.000 1.077 282 D CA -0.239 53.794 54.000 0.055 0.000 0.842 282 D CB 0.003 40.837 40.800 0.056 0.000 0.947 282 D HN 0.222 nan 8.370 nan 0.000 0.509 283 G N 1.083 109.928 108.800 0.075 0.000 2.559 283 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.235 283 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.235 283 G C 0.664 175.525 174.900 -0.066 0.000 1.266 283 G CA -0.225 44.903 45.100 0.045 0.000 0.847 283 G HN 0.191 nan 8.290 nan 0.000 0.583 284 Q N 0.154 119.863 119.800 -0.152 0.000 2.112 284 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 284 Q C 0.582 176.226 176.000 -0.593 0.000 0.987 284 Q CA 1.618 57.165 55.803 -0.427 0.000 0.858 284 Q CB -0.101 28.282 28.738 -0.591 0.000 0.905 284 Q HN 0.706 nan 8.270 nan 0.000 0.420 285 Y N -0.301 119.965 120.300 -0.057 0.000 2.720 285 Y HA 0.269 4.819 4.550 -0.000 0.000 0.268 285 Y C 0.090 176.015 175.900 0.040 0.000 1.142 285 Y CA -0.447 57.621 58.100 -0.055 0.000 1.193 285 Y CB 0.487 38.949 38.460 0.003 0.000 1.176 285 Y HN -0.057 nan 8.280 nan 0.000 0.542 286 S N 1.025 116.772 115.700 0.079 0.000 2.810 286 S HA -0.021 4.449 4.470 -0.000 0.000 0.329 286 S C 1.246 175.900 174.600 0.090 0.000 1.231 286 S CA 0.624 58.837 58.200 0.020 0.000 1.042 286 S CB 0.491 63.682 63.200 -0.014 0.000 0.756 286 S HN 0.450 nan 8.310 nan 0.000 0.504 287 V N 4.297 124.177 119.914 -0.056 0.000 3.645 287 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 287 V C 1.765 177.866 176.094 0.012 0.000 1.356 287 V CA 0.516 62.871 62.300 0.092 0.000 1.051 287 V CB -0.767 31.042 31.823 -0.023 0.000 0.828 287 V HN 0.815 nan 8.190 nan 0.000 0.441 288 L N 1.653 122.792 121.223 -0.139 0.000 2.357 288 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 288 L C 2.647 179.413 176.870 -0.173 0.000 1.123 288 L CA 2.404 57.129 54.840 -0.191 0.000 0.782 288 L CB -0.776 41.033 42.059 -0.417 0.000 0.910 288 L HN 0.564 nan 8.230 nan 0.000 0.442 289 K N -0.512 119.758 120.400 -0.218 0.000 2.365 289 K HA -0.065 4.255 4.320 -0.000 0.000 0.199 289 K C 0.271 176.730 176.600 -0.235 0.000 1.045 289 K CA 0.429 56.559 56.287 -0.262 0.000 0.962 289 K CB -0.198 32.067 32.500 -0.391 0.000 0.759 289 K HN -0.034 nan 8.250 nan 0.000 0.469 290 F N 3.118 123.050 119.950 -0.031 0.000 2.445 290 F HA 0.183 4.710 4.527 -0.000 0.000 0.359 290 F C 1.627 177.422 175.800 -0.008 0.000 1.101 290 F CA -0.951 57.031 58.000 -0.030 0.000 1.177 290 F CB 1.349 40.310 39.000 -0.064 0.000 1.110 290 F HN -0.043 nan 8.300 nan 0.000 0.522 291 K N 2.341 122.861 120.400 0.199 0.000 2.089 291 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 291 K C 1.023 177.688 176.600 0.109 0.000 1.048 291 K CA 1.985 58.344 56.287 0.120 0.000 0.926 291 K CB 0.031 32.588 32.500 0.094 0.000 0.714 291 K HN 0.551 nan 8.250 nan 0.000 0.448 292 N N 0.713 119.479 118.700 0.109 0.000 2.336 292 N HA -0.001 4.739 4.740 -0.000 0.000 0.189 292 N C 0.033 175.590 175.510 0.079 0.000 1.113 292 N CA -0.053 53.034 53.050 0.061 0.000 0.858 292 N CB 0.012 38.508 38.487 0.014 0.000 0.970 292 N HN 0.126 nan 8.380 nan 0.000 0.471 293 L N 1.238 122.535 121.223 0.123 0.000 2.485 293 L HA 0.086 4.426 4.340 -0.000 0.000 0.275 293 L C -0.213 176.780 176.870 0.205 0.000 1.207 293 L CA -0.016 54.913 54.840 0.148 0.000 0.855 293 L CB 0.191 42.351 42.059 0.167 0.000 1.114 293 L HN -0.065 nan 8.230 nan 0.000 0.485 294 F N 4.604 124.567 119.950 0.022 0.000 2.411 294 F HA 0.292 4.819 4.527 -0.000 0.000 0.355 294 F C 0.579 176.362 175.800 -0.029 0.000 1.117 294 F CA -1.130 56.860 58.000 -0.017 0.000 1.139 294 F CB 0.153 39.124 39.000 -0.048 0.000 1.120 294 F HN 0.595 nan 8.300 nan 0.000 0.493 295 N N 5.822 124.402 118.700 -0.200 0.000 3.127 295 N HA 0.056 4.796 4.740 -0.000 0.000 0.317 295 N C -1.315 173.831 175.510 -0.605 0.000 1.242 295 N CA 0.340 53.243 53.050 -0.244 0.000 1.203 295 N CB -0.673 37.779 38.487 -0.058 0.000 1.462 295 N HN 0.568 nan 8.380 nan 0.000 0.546 296 C N 0.825 119.630 119.300 -0.825 0.000 2.985 296 C HA 0.601 5.061 4.460 -0.000 0.000 0.314 296 C C -0.754 173.723 174.990 -0.855 0.000 1.215 296 C CA -0.660 57.754 59.018 -1.007 0.000 1.414 296 C CB 0.880 27.500 27.740 -1.867 0.000 1.842 296 C HN 0.131 nan 8.230 nan 0.000 0.477 297 V N 3.820 123.271 119.914 -0.771 0.000 2.547 297 V HA 0.832 4.952 4.120 -0.000 0.000 0.299 297 V C 0.471 176.280 176.094 -0.476 0.000 1.040 297 V CA -0.119 61.741 62.300 -0.734 0.000 0.913 297 V CB 1.674 33.108 31.823 -0.649 0.000 0.992 297 V HN 1.157 nan 8.190 nan 0.000 0.449 298 A N 3.409 126.023 122.820 -0.343 0.000 2.343 298 A HA 0.986 5.306 4.320 -0.000 0.000 0.316 298 A C -0.341 177.106 177.584 -0.228 0.000 1.104 298 A CA -0.149 51.706 52.037 -0.303 0.000 0.768 298 A CB 1.490 20.388 19.000 -0.170 0.000 1.213 298 A HN 1.515 nan 8.150 nan 0.000 0.456 299 A N 2.113 124.781 122.820 -0.254 0.000 2.594 299 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 299 A C -0.995 176.589 177.584 -0.000 0.000 1.071 299 A CA -0.633 51.331 52.037 -0.122 0.000 0.685 299 A CB 0.793 19.865 19.000 0.121 0.000 1.285 299 A HN 0.966 nan 8.150 nan 0.000 0.405 300 H N 0.453 119.496 119.070 -0.045 0.000 2.479 300 H HA 0.284 4.840 4.556 -0.000 0.000 0.335 300 H C -0.383 174.878 175.328 -0.111 0.000 1.142 300 H CA -0.863 55.098 56.048 -0.145 0.000 1.234 300 H CB 1.728 31.479 29.762 -0.018 0.000 1.503 300 H HN 0.690 nan 8.280 nan 0.000 0.510 301 D N 1.933 122.238 120.400 -0.159 0.000 2.363 301 D HA -0.072 4.568 4.640 -0.000 0.000 0.226 301 D C -0.210 176.084 176.300 -0.010 0.000 1.020 301 D CA 0.510 54.444 54.000 -0.111 0.000 0.892 301 D CB 0.181 40.795 40.800 -0.309 0.000 0.900 301 D HN 0.404 nan 8.370 nan 0.000 0.531 302 Y N -0.185 120.199 120.300 0.139 0.000 2.712 302 Y HA -0.100 4.450 4.550 -0.000 0.000 0.333 302 Y C 0.719 176.626 175.900 0.012 0.000 1.225 302 Y CA 0.010 58.035 58.100 -0.126 0.000 1.499 302 Y CB -0.146 38.109 38.460 -0.341 0.000 1.288 302 Y HN 0.109 nan 8.280 nan 0.000 0.575 303 W N -0.577 120.974 121.300 0.418 0.000 2.323 303 W HA -0.321 4.339 4.660 -0.000 0.000 0.261 303 W C 1.013 177.671 176.519 0.233 0.000 1.029 303 W CA 0.682 58.203 57.345 0.293 0.000 0.499 303 W CB -1.838 27.764 29.460 0.237 0.000 2.045 303 W HN 0.508 nan 8.180 nan 0.000 1.374 304 S N -1.400 114.501 115.700 0.336 0.000 2.711 304 S HA 0.717 5.187 4.470 -0.000 0.000 0.247 304 S C 0.609 175.288 174.600 0.131 0.000 1.079 304 S CA -0.059 58.273 58.200 0.220 0.000 1.050 304 S CB 0.841 64.151 63.200 0.184 0.000 0.885 304 S HN 0.466 nan 8.310 nan 0.000 0.498 305 A N 0.384 123.303 122.820 0.165 0.000 2.431 305 A HA 0.576 4.896 4.320 -0.000 0.000 0.239 305 A C -0.143 177.530 177.584 0.150 0.000 1.230 305 A CA -0.093 51.970 52.037 0.043 0.000 0.928 305 A CB 0.212 19.187 19.000 -0.041 0.000 1.006 305 A HN 0.643 nan 8.150 nan 0.000 0.520 306 Y N 0.398 120.773 120.300 0.125 0.000 2.519 306 Y HA 0.516 5.066 4.550 -0.000 0.000 0.336 306 Y C -2.726 173.261 175.900 0.145 0.000 1.089 306 Y CA -2.340 55.852 58.100 0.155 0.000 1.025 306 Y CB 1.984 40.626 38.460 0.305 0.000 1.318 306 Y HN 0.041 nan 8.280 nan 0.000 0.452 307 P HA 0.261 nan 4.420 nan 0.000 0.286 307 P C 0.082 177.220 177.300 -0.270 0.000 1.293 307 P CA 0.354 62.977 63.100 -0.795 0.000 0.770 307 P CB 0.768 32.013 31.700 -0.759 0.000 1.206 308 A N 0.213 122.900 122.820 -0.222 0.000 1.948 308 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 308 A C 2.155 179.676 177.584 -0.104 0.000 1.177 308 A CA 2.911 54.866 52.037 -0.136 0.000 0.636 308 A CB -2.173 16.748 19.000 -0.132 0.000 0.815 308 A HN 0.746 nan 8.150 nan 0.000 0.449 309 T N -1.558 112.933 114.554 -0.105 0.000 2.652 309 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 309 T C 1.771 176.437 174.700 -0.057 0.000 1.039 309 T CA 1.636 63.692 62.100 -0.074 0.000 1.153 309 T CB -0.656 68.171 68.868 -0.068 0.000 0.863 309 T HN 0.262 nan 8.240 nan 0.000 0.428 310 L N 1.252 122.443 121.223 -0.053 0.000 2.017 310 L HA 0.135 4.475 4.340 -0.000 0.000 0.208 310 L C 2.412 179.278 176.870 -0.006 0.000 1.073 310 L CA 1.532 56.363 54.840 -0.014 0.000 0.745 310 L CB -1.579 40.489 42.059 0.015 0.000 0.894 310 L HN 0.374 nan 8.230 nan 0.000 0.432 311 L N -0.483 120.725 121.223 -0.024 0.000 1.976 311 L HA -0.234 4.106 4.340 -0.000 0.000 0.223 311 L C 2.622 179.470 176.870 -0.036 0.000 1.081 311 L CA 2.802 57.621 54.840 -0.034 0.000 0.784 311 L CB -1.030 40.985 42.059 -0.073 0.000 0.896 311 L HN 0.340 nan 8.230 nan 0.000 0.438 312 V N -3.254 116.633 119.914 -0.045 0.000 2.379 312 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 312 V C 2.158 178.230 176.094 -0.036 0.000 1.044 312 V CA 1.696 63.971 62.300 -0.042 0.000 1.036 312 V CB -1.016 30.782 31.823 -0.041 0.000 0.664 312 V HN 0.440 nan 8.190 nan 0.000 0.453 313 D N 0.736 121.115 120.400 -0.035 0.000 2.087 313 D HA -0.173 4.467 4.640 -0.000 0.000 0.192 313 D C 2.061 178.339 176.300 -0.037 0.000 0.993 313 D CA 2.278 56.253 54.000 -0.041 0.000 0.828 313 D CB -0.393 40.380 40.800 -0.045 0.000 0.968 313 D HN 0.544 nan 8.370 nan 0.000 0.448 314 I N 0.277 120.844 120.570 -0.004 0.000 2.208 314 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 314 I C 2.331 178.481 176.117 0.055 0.000 1.097 314 I CA 1.295 62.626 61.300 0.052 0.000 1.363 314 I CB 0.144 38.217 38.000 0.121 0.000 1.051 314 I HN -0.092 nan 8.210 nan 0.000 0.413 315 R N 0.309 120.807 120.500 -0.003 0.000 2.073 315 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 315 R C 2.178 178.447 176.300 -0.051 0.000 1.120 315 R CA 1.450 57.515 56.100 -0.058 0.000 0.967 315 R CB -0.339 29.920 30.300 -0.068 0.000 0.862 315 R HN 0.409 nan 8.270 nan 0.000 0.436 316 N N 0.655 119.337 118.700 -0.029 0.000 2.036 316 N HA -0.231 4.509 4.740 -0.000 0.000 0.195 316 N C 1.707 177.216 175.510 -0.002 0.000 1.037 316 N CA 1.273 54.320 53.050 -0.005 0.000 0.855 316 N CB -0.252 38.222 38.487 -0.022 0.000 1.033 316 N HN 0.199 nan 8.380 nan 0.000 0.423 317 R N 0.833 121.311 120.500 -0.037 0.000 2.091 317 R HA -0.049 4.291 4.340 -0.000 0.000 0.238 317 R C 2.314 178.670 176.300 0.094 0.000 1.136 317 R CA 0.944 56.990 56.100 -0.090 0.000 0.959 317 R CB -0.271 29.825 30.300 -0.341 0.000 0.856 317 R HN 0.220 nan 8.270 nan 0.000 0.437 318 I N -0.402 120.289 120.570 0.201 0.000 2.127 318 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 318 I C 2.502 178.628 176.117 0.014 0.000 1.075 318 I CA 1.784 63.152 61.300 0.113 0.000 1.334 318 I CB -0.485 37.343 38.000 -0.286 0.000 1.040 318 I HN 0.343 nan 8.210 nan 0.000 0.405 319 H N 1.463 120.461 119.070 -0.120 0.000 2.321 319 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 319 H C 2.203 177.514 175.328 -0.028 0.000 1.087 319 H CA 2.012 58.003 56.048 -0.095 0.000 1.319 319 H CB -0.153 29.545 29.762 -0.106 0.000 1.379 319 H HN 0.103 nan 8.280 nan 0.000 0.501 320 K N 0.120 120.427 120.400 -0.156 0.000 2.015 320 K HA -0.219 4.101 4.320 -0.000 0.000 0.216 320 K C 1.923 178.480 176.600 -0.071 0.000 1.052 320 K CA 2.166 58.354 56.287 -0.166 0.000 0.937 320 K CB -0.004 32.449 32.500 -0.079 0.000 0.719 320 K HN 0.411 nan 8.250 nan 0.000 0.446 321 E N 0.565 120.791 120.200 0.043 0.000 2.072 321 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 321 E C 2.123 178.786 176.600 0.104 0.000 0.982 321 E CA 0.694 57.176 56.400 0.138 0.000 0.803 321 E CB -0.322 29.516 29.700 0.230 0.000 0.755 321 E HN 0.263 nan 8.360 nan 0.000 0.453 322 L N 1.766 123.003 121.223 0.024 0.000 2.156 322 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 322 L C 2.299 179.131 176.870 -0.063 0.000 1.095 322 L CA 1.462 56.277 54.840 -0.042 0.000 0.770 322 L CB -0.507 41.522 42.059 -0.050 0.000 0.914 322 L HN 0.041 nan 8.230 nan 0.000 0.439 323 S N -0.648 115.014 115.700 -0.064 0.000 2.382 323 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 323 S C 1.996 176.568 174.600 -0.047 0.000 1.027 323 S CA 0.765 58.925 58.200 -0.066 0.000 0.991 323 S CB -0.910 62.162 63.200 -0.213 0.000 0.823 323 S HN 0.427 nan 8.310 nan 0.000 0.469 324 A N 3.128 125.941 122.820 -0.012 0.000 2.239 324 A HA -0.011 4.309 4.320 -0.000 0.000 0.209 324 A C 1.937 179.543 177.584 0.037 0.000 1.171 324 A CA 0.968 53.046 52.037 0.070 0.000 0.768 324 A CB -0.762 18.346 19.000 0.180 0.000 0.790 324 A HN 0.742 nan 8.150 nan 0.000 0.478 325 N N -0.068 118.504 118.700 -0.214 0.000 2.515 325 N HA 0.049 4.789 4.740 -0.000 0.000 0.185 325 N C 1.098 176.491 175.510 -0.195 0.000 1.109 325 N CA 1.155 53.833 53.050 -0.620 0.000 0.903 325 N CB -0.627 37.264 38.487 -0.994 0.000 0.969 325 N HN 0.676 nan 8.380 nan 0.000 0.450 326 G N -0.029 108.730 108.800 -0.069 0.000 2.179 326 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 326 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 326 G C 0.316 175.147 174.900 -0.114 0.000 1.010 326 G CA 0.912 45.984 45.100 -0.047 0.000 0.736 326 G HN 0.647 nan 8.290 nan 0.000 0.513 327 H N -1.081 117.942 119.070 -0.078 0.000 3.058 327 H HA 0.257 4.813 4.556 -0.000 0.000 0.266 327 H C 1.370 176.678 175.328 -0.033 0.000 1.135 327 H CA 0.403 56.422 56.048 -0.048 0.000 1.174 327 H CB 0.530 30.262 29.762 -0.049 0.000 1.581 327 H HN 0.381 nan 8.280 nan 0.000 0.553 328 N N 0.759 119.481 118.700 0.036 0.000 2.780 328 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 328 N C -1.170 174.353 175.510 0.023 0.000 1.102 328 N CA 0.953 54.022 53.050 0.032 0.000 0.697 328 N CB -1.696 36.808 38.487 0.028 0.000 1.028 328 N HN 0.194 nan 8.380 nan 0.000 0.554 329 T N 1.475 116.028 114.554 -0.002 0.000 2.851 329 T HA 0.171 4.521 4.350 -0.000 0.000 0.298 329 T C 0.766 175.409 174.700 -0.094 0.000 0.977 329 T CA -0.119 61.935 62.100 -0.078 0.000 1.126 329 T CB 0.843 69.645 68.868 -0.110 0.000 0.916 329 T HN 0.152 nan 8.240 nan 0.000 0.529 330 K N 1.714 122.005 120.400 -0.182 0.000 2.126 330 K HA 0.472 4.792 4.320 -0.000 0.000 0.257 330 K C -0.589 175.947 176.600 -0.107 0.000 1.007 330 K CA -0.476 55.739 56.287 -0.121 0.000 0.928 330 K CB 0.600 32.992 32.500 -0.181 0.000 1.013 330 K HN 0.492 nan 8.250 nan 0.000 0.473 331 F N 1.272 121.163 119.950 -0.098 0.000 2.532 331 F HA 0.429 4.956 4.527 -0.000 0.000 0.321 331 F C -1.671 174.227 175.800 0.163 0.000 1.089 331 F CA -0.694 57.257 58.000 -0.080 0.000 0.926 331 F CB 1.004 39.965 39.000 -0.065 0.000 1.168 331 F HN 0.382 nan 8.300 nan 0.000 0.459 332 W N 5.019 125.649 121.300 -1.117 0.000 2.538 332 W HA 0.646 5.306 4.660 -0.000 0.000 0.322 332 W C -0.785 174.991 176.519 -1.238 0.000 1.028 332 W CA -1.835 54.979 57.345 -0.885 0.000 1.228 332 W CB 1.594 30.738 29.460 -0.527 0.000 1.356 332 W HN 0.794 nan 8.180 nan 0.000 0.452 333 A N 2.522 124.900 122.820 -0.737 0.000 2.544 333 A HA 0.395 4.715 4.320 -0.000 0.000 0.301 333 A C 0.909 178.083 177.584 -0.684 0.000 1.368 333 A CA 0.178 51.846 52.037 -0.616 0.000 1.045 333 A CB -0.184 18.538 19.000 -0.464 0.000 1.129 333 A HN 0.576 nan 8.150 nan 0.000 0.540 334 S N 1.093 116.532 115.700 -0.435 0.000 2.575 334 S HA 0.377 4.847 4.470 -0.000 0.000 0.237 334 S C -0.020 174.287 174.600 -0.490 0.000 0.975 334 S CA 0.024 58.019 58.200 -0.342 0.000 0.960 334 S CB -0.132 63.019 63.200 -0.082 0.000 0.822 334 S HN 0.810 nan 8.310 nan 0.000 0.472 335 E N -0.485 119.301 120.200 -0.689 0.000 3.538 335 E HA 0.264 4.614 4.350 -0.000 0.000 0.363 335 E C -2.363 173.774 176.600 -0.772 0.000 1.052 335 E CA -0.468 55.469 56.400 -0.772 0.000 0.848 335 E CB 0.896 29.858 29.700 -1.230 0.000 1.255 335 E HN 0.341 nan 8.360 nan 0.000 0.483 336 Y N 3.616 123.461 120.300 -0.758 0.000 2.571 336 Y HA 0.707 5.257 4.550 -0.000 0.000 0.341 336 Y C -1.380 174.485 175.900 -0.059 0.000 1.076 336 Y CA -0.509 57.145 58.100 -0.744 0.000 1.029 336 Y CB 1.427 39.481 38.460 -0.676 0.000 1.308 336 Y HN 0.848 nan 8.280 nan 0.000 0.461 337 C N 3.978 122.765 119.300 -0.855 0.000 3.285 337 C HA 0.577 5.037 4.460 -0.000 0.000 0.325 337 C C -0.866 173.703 174.990 -0.701 0.000 1.304 337 C CA -1.295 57.511 59.018 -0.354 0.000 1.319 337 C CB 0.575 28.462 27.740 0.245 0.000 1.640 337 C HN 0.810 nan 8.230 nan 0.000 0.477 338 I N 3.166 123.611 120.570 -0.208 0.000 2.886 338 I HA -0.008 4.162 4.170 -0.000 0.000 0.293 338 I C 0.598 176.668 176.117 -0.078 0.000 1.157 338 I CA 0.466 61.721 61.300 -0.076 0.000 1.472 338 I CB -0.505 37.529 38.000 0.057 0.000 1.492 338 I HN 0.660 nan 8.210 nan 0.000 0.652 339 L N 5.245 126.378 121.223 -0.150 0.000 2.388 339 L HA 0.091 4.431 4.340 -0.000 0.000 0.209 339 L C 1.579 178.426 176.870 -0.039 0.000 1.061 339 L CA 0.904 55.662 54.840 -0.137 0.000 0.834 339 L CB -0.265 41.587 42.059 -0.345 0.000 1.029 339 L HN 0.558 nan 8.230 nan 0.000 0.473 340 E N 1.050 121.212 120.200 -0.063 0.000 2.392 340 E HA 0.103 4.453 4.350 -0.000 0.000 0.259 340 E C -0.700 175.953 176.600 0.089 0.000 1.108 340 E CA -0.188 56.314 56.400 0.170 0.000 0.916 340 E CB 0.899 30.751 29.700 0.252 0.000 0.989 340 E HN 0.111 nan 8.360 nan 0.000 0.432 341 K N 0.979 121.455 120.400 0.126 0.000 2.207 341 K HA 0.419 4.739 4.320 -0.000 0.000 0.255 341 K C -0.748 175.848 176.600 -0.005 0.000 0.941 341 K CA -0.679 55.626 56.287 0.029 0.000 0.825 341 K CB 1.257 33.787 32.500 0.050 0.000 1.119 341 K HN 0.768 nan 8.250 nan 0.000 0.430 342 N N -1.144 117.492 118.700 -0.105 0.000 3.545 342 N HA -0.080 4.660 4.740 -0.000 0.000 0.227 342 N C 0.008 175.426 175.510 -0.153 0.000 1.380 342 N CA -0.847 52.099 53.050 -0.173 0.000 0.892 342 N CB 0.451 38.610 38.487 -0.546 0.000 1.441 342 N HN 0.579 nan 8.380 nan 0.000 0.497 343 E N -0.374 119.782 120.200 -0.073 0.000 2.267 343 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 343 E C 0.387 176.981 176.600 -0.009 0.000 0.998 343 E CA 1.321 57.718 56.400 -0.004 0.000 0.830 343 E CB -0.182 29.559 29.700 0.067 0.000 0.751 343 E HN 0.707 nan 8.360 nan 0.000 0.491 344 E N 0.829 121.001 120.200 -0.048 0.000 2.072 344 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 344 E C 2.310 178.890 176.600 -0.034 0.000 0.982 344 E CA 1.592 58.006 56.400 0.024 0.000 0.803 344 E CB -0.069 29.718 29.700 0.146 0.000 0.755 344 E HN 0.649 nan 8.360 nan 0.000 0.453 345 I N -2.746 117.738 120.570 -0.142 0.000 4.323 345 I HA 0.173 4.343 4.170 -0.000 0.000 0.328 345 I C 0.280 176.328 176.117 -0.115 0.000 1.310 345 I CA -0.062 61.135 61.300 -0.171 0.000 1.186 345 I CB 0.819 38.586 38.000 -0.387 0.000 1.130 345 I HN -0.293 nan 8.210 nan 0.000 0.411 346 T N 4.470 118.967 114.554 -0.096 0.000 2.728 346 T HA 0.643 4.993 4.350 -0.000 0.000 0.296 346 T C -0.529 174.156 174.700 -0.026 0.000 0.940 346 T CA 0.061 62.129 62.100 -0.054 0.000 1.013 346 T CB 0.749 69.591 68.868 -0.044 0.000 0.912 346 T HN 0.347 nan 8.240 nan 0.000 0.484 347 M N 3.986 123.577 119.600 -0.016 0.000 2.529 347 M HA 0.299 4.779 4.480 -0.000 0.000 0.291 347 M C -2.855 173.444 176.300 -0.002 0.000 1.093 347 M CA -1.402 53.894 55.300 -0.006 0.000 0.890 347 M CB 1.669 34.264 32.600 -0.008 0.000 1.794 347 M HN 0.273 nan 8.290 nan 0.000 0.524 348 P HA 0.240 nan 4.420 nan 0.000 0.268 348 P C -1.101 176.203 177.300 0.007 0.000 1.208 348 P CA -0.164 62.939 63.100 0.006 0.000 0.777 348 P CB 0.460 32.165 31.700 0.008 0.000 0.875 349 A N 2.341 125.167 122.820 0.009 0.000 2.566 349 A HA 0.433 4.753 4.320 -0.000 0.000 0.245 349 A C 0.480 178.072 177.584 0.013 0.000 1.056 349 A CA 0.767 52.811 52.037 0.012 0.000 0.757 349 A CB -0.832 18.177 19.000 0.014 0.000 0.979 349 A HN 0.606 nan 8.150 nan 0.000 0.508 350 S N 1.647 117.356 115.700 0.014 0.000 2.565 350 S HA 0.657 5.127 4.470 -0.000 0.000 0.269 350 S C -2.626 171.984 174.600 0.017 0.000 1.153 350 S CA -0.929 57.280 58.200 0.014 0.000 0.835 350 S CB 1.341 64.547 63.200 0.011 0.000 1.122 350 S HN 0.216 nan 8.310 nan 0.000 0.462 351 P HA -0.095 nan 4.420 nan 0.000 0.216 351 P C 0.971 178.281 177.300 0.017 0.000 1.150 351 P CA 1.535 64.647 63.100 0.019 0.000 0.843 351 P CB 0.007 31.715 31.700 0.013 0.000 0.787 352 E N -0.724 119.483 120.200 0.012 0.000 2.058 352 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 352 E C 2.182 178.788 176.600 0.009 0.000 0.997 352 E CA 0.949 57.354 56.400 0.008 0.000 0.801 352 E CB -0.712 28.991 29.700 0.006 0.000 0.746 352 E HN 0.092 nan 8.360 nan 0.000 0.450 353 R N 0.472 120.979 120.500 0.011 0.000 2.103 353 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 353 R C 2.141 178.454 176.300 0.022 0.000 1.142 353 R CA 1.716 57.822 56.100 0.010 0.000 0.960 353 R CB -0.287 30.018 30.300 0.007 0.000 0.858 353 R HN 0.139 nan 8.270 nan 0.000 0.439 354 S N 0.645 116.364 115.700 0.031 0.000 2.368 354 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 354 S C 1.741 176.380 174.600 0.065 0.000 1.029 354 S CA 1.128 59.358 58.200 0.050 0.000 0.988 354 S CB -0.180 63.053 63.200 0.055 0.000 0.838 354 S HN 0.291 nan 8.310 nan 0.000 0.462 355 I N 2.655 123.254 120.570 0.049 0.000 2.406 355 I HA -0.064 4.106 4.170 -0.000 0.000 0.249 355 I C 1.511 177.646 176.117 0.030 0.000 1.122 355 I CA 0.946 62.273 61.300 0.046 0.000 1.431 355 I CB -0.537 37.476 38.000 0.022 0.000 1.087 355 I HN 0.086 nan 8.210 nan 0.000 0.424 356 N N 0.829 119.537 118.700 0.014 0.000 2.060 356 N HA -0.233 4.507 4.740 -0.000 0.000 0.195 356 N C 1.907 177.469 175.510 0.086 0.000 1.028 356 N CA 1.958 55.018 53.050 0.016 0.000 0.861 356 N CB -0.734 37.758 38.487 0.009 0.000 1.029 356 N HN 0.364 nan 8.380 nan 0.000 0.428 357 L N 0.161 121.435 121.223 0.084 0.000 2.046 357 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 357 L C 2.514 179.518 176.870 0.224 0.000 1.077 357 L CA 1.495 56.417 54.840 0.137 0.000 0.747 357 L CB -0.934 41.187 42.059 0.103 0.000 0.896 357 L HN 0.236 nan 8.230 nan 0.000 0.432 358 G N 0.178 109.084 108.800 0.176 0.000 2.433 358 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 358 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 358 G C 1.600 176.606 174.900 0.177 0.000 1.186 358 G CA 0.796 46.009 45.100 0.189 0.000 0.779 358 G HN 0.238 nan 8.290 nan 0.000 0.543 359 L N -1.073 120.222 121.223 0.121 0.000 2.046 359 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 359 L C 2.557 179.565 176.870 0.229 0.000 1.077 359 L CA 1.190 56.080 54.840 0.084 0.000 0.747 359 L CB -0.625 41.341 42.059 -0.155 0.000 0.896 359 L HN 0.263 nan 8.230 nan 0.000 0.432 360 Y N 0.350 120.735 120.300 0.141 0.000 2.151 360 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 360 Y C 2.325 178.309 175.900 0.140 0.000 1.166 360 Y CA 1.942 60.176 58.100 0.222 0.000 1.163 360 Y CB -0.138 38.426 38.460 0.173 0.000 0.974 360 Y HN -0.109 nan 8.280 nan 0.000 0.511 361 V N -0.279 119.791 119.914 0.260 0.000 2.535 361 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 361 V C 2.614 178.595 176.094 -0.188 0.000 1.045 361 V CA 1.194 63.518 62.300 0.040 0.000 1.058 361 V CB -1.381 30.536 31.823 0.157 0.000 0.689 361 V HN 0.519 nan 8.190 nan 0.000 0.461 362 A N 0.887 123.682 122.820 -0.041 0.000 1.884 362 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 362 A C 2.361 179.918 177.584 -0.046 0.000 1.197 362 A CA 2.614 54.641 52.037 -0.018 0.000 0.637 362 A CB -0.701 18.399 19.000 0.167 0.000 0.827 362 A HN 0.516 nan 8.150 nan 0.000 0.450 363 R N -0.224 120.289 120.500 0.021 0.000 2.112 363 R HA -0.204 4.135 4.340 -0.000 0.000 0.242 363 R C 1.964 178.199 176.300 -0.110 0.000 1.137 363 R CA 2.321 58.410 56.100 -0.018 0.000 0.944 363 R CB -0.598 29.662 30.300 -0.067 0.000 0.857 363 R HN 0.552 nan 8.270 nan 0.000 0.435 364 I N 0.539 120.963 120.570 -0.242 0.000 2.163 364 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 364 I C 2.338 178.279 176.117 -0.293 0.000 1.085 364 I CA 1.494 62.628 61.300 -0.278 0.000 1.347 364 I CB -0.279 37.488 38.000 -0.388 0.000 1.044 364 I HN 0.262 nan 8.210 nan 0.000 0.408 365 I N -0.148 120.079 120.570 -0.571 0.000 2.113 365 I HA -0.351 3.819 4.170 -0.000 0.000 0.238 365 I C 2.712 178.563 176.117 -0.443 0.000 1.070 365 I CA 1.842 62.624 61.300 -0.863 0.000 1.332 365 I CB -0.816 36.417 38.000 -1.279 0.000 1.044 365 I HN 0.294 nan 8.210 nan 0.000 0.402 366 H N 1.914 120.775 119.070 -0.348 0.000 2.267 366 H HA -0.249 4.307 4.556 -0.000 0.000 0.291 366 H C 2.070 177.369 175.328 -0.048 0.000 1.094 366 H CA 2.423 58.437 56.048 -0.058 0.000 1.227 366 H CB -0.223 29.576 29.762 0.061 0.000 1.351 366 H HN 0.234 nan 8.280 nan 0.000 0.483 367 N N 0.106 118.742 118.700 -0.108 0.000 2.223 367 N HA -0.133 4.607 4.740 -0.000 0.000 0.185 367 N C 1.198 176.632 175.510 -0.127 0.000 1.016 367 N CA 1.311 54.277 53.050 -0.139 0.000 0.863 367 N CB -0.153 38.305 38.487 -0.049 0.000 0.983 367 N HN 0.549 nan 8.380 nan 0.000 0.429 368 D N 0.707 121.066 120.400 -0.068 0.000 2.224 368 D HA -0.004 4.636 4.640 -0.000 0.000 0.205 368 D C 2.052 178.352 176.300 0.000 0.000 0.965 368 D CA 0.309 54.328 54.000 0.032 0.000 0.852 368 D CB 0.196 41.123 40.800 0.210 0.000 0.947 368 D HN 0.273 nan 8.370 nan 0.000 0.494 369 L N 0.388 121.570 121.223 -0.068 0.000 2.162 369 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 369 L C 2.521 179.331 176.870 -0.099 0.000 1.086 369 L CA 1.259 56.088 54.840 -0.018 0.000 0.778 369 L CB -0.154 41.952 42.059 0.079 0.000 0.928 369 L HN 0.098 nan 8.230 nan 0.000 0.446 370 T N -3.441 110.969 114.554 -0.240 0.000 3.033 370 T HA 0.109 4.459 4.350 -0.000 0.000 0.248 370 T C 1.728 176.234 174.700 -0.323 0.000 1.040 370 T CA 0.119 62.022 62.100 -0.329 0.000 1.133 370 T CB -0.094 68.508 68.868 -0.444 0.000 0.895 370 T HN 0.094 nan 8.240 nan 0.000 0.465 371 L N 0.832 121.904 121.223 -0.251 0.000 2.189 371 L HA 0.444 4.784 4.340 -0.000 0.000 0.199 371 L C 3.187 179.935 176.870 -0.205 0.000 1.074 371 L CA 0.895 55.619 54.840 -0.195 0.000 0.783 371 L CB -0.760 41.227 42.059 -0.121 0.000 0.955 371 L HN 0.311 nan 8.230 nan 0.000 0.460 372 A N -0.721 121.990 122.820 -0.181 0.000 2.168 372 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 372 A C 0.858 178.318 177.584 -0.206 0.000 1.152 372 A CA 0.374 52.278 52.037 -0.223 0.000 0.716 372 A CB -0.582 18.240 19.000 -0.296 0.000 0.794 372 A HN 0.652 nan 8.150 nan 0.000 0.465 373 N N -1.021 117.545 118.700 -0.224 0.000 2.740 373 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 373 N C 0.252 175.789 175.510 0.045 0.000 1.062 373 N CA 0.240 53.185 53.050 -0.175 0.000 0.704 373 N CB -1.160 37.101 38.487 -0.376 0.000 0.968 373 N HN 0.715 nan 8.380 nan 0.000 0.547 374 A N 0.020 122.922 122.820 0.138 0.000 2.531 374 A HA 0.218 4.538 4.320 -0.000 0.000 0.236 374 A C 1.219 178.856 177.584 0.088 0.000 1.062 374 A CA 0.530 52.699 52.037 0.220 0.000 0.760 374 A CB 0.459 19.561 19.000 0.170 0.000 0.995 374 A HN 0.344 nan 8.150 nan 0.000 0.501 375 S N 0.102 115.861 115.700 0.099 0.000 2.511 375 S HA 0.470 4.940 4.470 -0.000 0.000 0.214 375 S C 0.553 174.947 174.600 -0.344 0.000 0.997 375 S CA 0.603 58.834 58.200 0.051 0.000 0.908 375 S CB -0.018 63.383 63.200 0.336 0.000 0.803 375 S HN 1.293 nan 8.310 nan 0.000 0.504 376 A N 0.234 122.648 122.820 -0.677 0.000 2.572 376 A HA 0.686 5.006 4.320 -0.000 0.000 0.295 376 A C -2.180 174.971 177.584 -0.721 0.000 1.072 376 A CA -0.553 50.854 52.037 -1.051 0.000 0.691 376 A CB 1.002 18.810 19.000 -1.986 0.000 1.291 376 A HN 0.406 nan 8.150 nan 0.000 0.404 377 W N 1.586 122.328 121.300 -0.929 0.000 2.683 377 W HA 0.593 5.253 4.660 -0.000 0.000 0.329 377 W C -0.777 175.480 176.519 -0.436 0.000 1.037 377 W CA 0.002 56.984 57.345 -0.606 0.000 1.232 377 W CB 1.736 30.898 29.460 -0.497 0.000 1.390 377 W HN 0.693 nan 8.180 nan 0.000 0.465 378 Q N 4.788 124.089 119.800 -0.833 0.000 2.310 378 Q HA 0.238 4.578 4.340 -0.000 0.000 0.270 378 Q C -0.901 174.655 176.000 -0.740 0.000 1.025 378 Q CA -0.871 54.607 55.803 -0.542 0.000 0.772 378 Q CB 2.009 30.469 28.738 -0.464 0.000 1.253 378 Q HN 0.436 nan 8.270 nan 0.000 0.450 379 W N 2.020 123.164 121.300 -0.260 0.000 2.079 379 W HA 0.110 4.770 4.660 -0.000 0.000 0.354 379 W C 1.070 177.503 176.519 -0.143 0.000 1.302 379 W CA -0.360 56.910 57.345 -0.125 0.000 1.281 379 W CB 0.537 30.051 29.460 0.089 0.000 1.165 379 W HN 0.661 nan 8.180 nan 0.000 0.603 380 W N 0.935 122.252 121.300 0.028 0.000 1.625 380 W HA 0.038 4.698 4.660 -0.000 0.000 0.529 380 W C 0.593 177.032 176.519 -0.134 0.000 2.068 380 W CA 0.160 57.423 57.345 -0.136 0.000 2.305 380 W CB -0.193 29.220 29.460 -0.080 0.000 2.192 380 W HN 0.233 nan 8.180 nan 0.000 0.835 381 T N 0.461 114.367 114.554 -1.080 0.000 2.871 381 T HA 0.215 4.565 4.350 -0.000 0.000 0.296 381 T C 0.685 175.079 174.700 -0.509 0.000 0.998 381 T CA 0.227 61.721 62.100 -1.010 0.000 1.162 381 T CB 1.180 69.382 68.868 -1.110 0.000 0.947 381 T HN 0.482 nan 8.240 nan 0.000 0.536 382 A N 3.470 126.057 122.820 -0.389 0.000 2.121 382 A HA 0.326 4.646 4.320 -0.000 0.000 0.218 382 A C 1.234 178.627 177.584 -0.318 0.000 1.154 382 A CA 0.903 52.765 52.037 -0.292 0.000 0.679 382 A CB -0.640 18.328 19.000 -0.054 0.000 0.795 382 A HN 1.386 nan 8.150 nan 0.000 0.458 383 V N -3.785 115.945 119.914 -0.306 0.000 2.823 383 V HA 0.852 4.972 4.120 -0.000 0.000 0.312 383 V C -0.505 175.438 176.094 -0.252 0.000 1.072 383 V CA -0.088 62.059 62.300 -0.255 0.000 0.937 383 V CB 1.485 33.175 31.823 -0.221 0.000 1.013 383 V HN 0.528 nan 8.190 nan 0.000 0.430 384 S N 1.923 117.509 115.700 -0.191 0.000 2.588 384 S HA 0.637 5.107 4.470 -0.000 0.000 0.269 384 S C -0.309 174.222 174.600 -0.116 0.000 1.157 384 S CA -0.564 57.541 58.200 -0.159 0.000 0.824 384 S CB 1.746 64.879 63.200 -0.111 0.000 1.126 384 S HN 0.745 nan 8.310 nan 0.000 0.464 385 L N 2.237 123.392 121.223 -0.113 0.000 2.509 385 L HA 0.389 4.729 4.340 -0.000 0.000 0.222 385 L C 1.553 178.406 176.870 -0.028 0.000 1.123 385 L CA 1.270 56.072 54.840 -0.063 0.000 0.856 385 L CB -0.850 41.161 42.059 -0.080 0.000 0.985 385 L HN 0.739 nan 8.230 nan 0.000 0.456 386 G N -1.423 107.361 108.800 -0.028 0.000 2.552 386 G HA2 0.300 4.260 3.960 -0.000 0.000 0.318 386 G HA3 0.300 4.260 3.960 -0.000 0.000 0.318 386 G C -0.509 174.383 174.900 -0.013 0.000 1.240 386 G CA -0.420 44.675 45.100 -0.008 0.000 1.002 386 G HN 0.068 nan 8.290 nan 0.000 0.493 387 E N 0.116 120.316 120.200 0.000 0.000 2.127 387 E HA 0.220 4.570 4.350 -0.000 0.000 0.262 387 E C -0.514 176.098 176.600 0.019 0.000 1.144 387 E CA -0.219 56.182 56.400 0.003 0.000 1.144 387 E CB 0.087 29.795 29.700 0.014 0.000 1.297 387 E HN 0.536 nan 8.360 nan 0.000 0.469 388 D N 0.672 121.081 120.400 0.014 0.000 2.480 388 D HA 0.048 4.688 4.640 -0.000 0.000 0.276 388 D C 0.115 176.474 176.300 0.098 0.000 1.294 388 D CA -0.124 53.918 54.000 0.069 0.000 0.829 388 D CB 0.282 41.119 40.800 0.061 0.000 1.242 388 D HN 0.114 nan 8.370 nan 0.000 0.513 389 V N -4.973 114.880 119.914 -0.100 0.000 3.130 389 V HA 0.593 4.713 4.120 -0.000 0.000 0.308 389 V C -2.272 173.420 176.094 -0.670 0.000 1.413 389 V CA -1.878 60.121 62.300 -0.501 0.000 1.053 389 V CB 1.403 32.988 31.823 -0.397 0.000 1.075 389 V HN -0.360 nan 8.190 nan 0.000 0.465 390 P HA 0.083 nan 4.420 nan 0.000 0.215 390 P C 0.333 177.378 177.300 -0.425 0.000 1.157 390 P CA 1.450 64.124 63.100 -0.710 0.000 0.868 390 P CB 0.059 31.284 31.700 -0.793 0.000 0.788 391 I N -0.672 119.682 120.570 -0.359 0.000 2.378 391 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 391 I C 0.256 176.280 176.117 -0.154 0.000 0.992 391 I CA -0.772 60.396 61.300 -0.221 0.000 1.154 391 I CB 1.638 39.523 38.000 -0.190 0.000 1.315 391 I HN -0.136 nan 8.210 nan 0.000 0.448 392 Q N 5.571 125.321 119.800 -0.083 0.000 2.290 392 Q HA 0.410 4.750 4.340 -0.000 0.000 0.259 392 Q C -1.430 174.581 176.000 0.018 0.000 0.941 392 Q CA -0.960 54.820 55.803 -0.039 0.000 0.912 392 Q CB 1.499 30.227 28.738 -0.016 0.000 1.244 392 Q HN 0.422 nan 8.270 nan 0.000 0.441 393 L N 5.061 126.305 121.223 0.036 0.000 2.265 393 L HA 0.414 4.754 4.340 -0.000 0.000 0.288 393 L C -0.532 176.418 176.870 0.135 0.000 1.058 393 L CA 0.079 55.005 54.840 0.144 0.000 0.809 393 L CB 1.065 43.222 42.059 0.163 0.000 1.179 393 L HN 0.595 nan 8.230 nan 0.000 0.429 394 L N 5.808 127.121 121.223 0.150 0.000 2.329 394 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 394 L C -2.150 174.776 176.870 0.093 0.000 1.014 394 L CA -1.924 52.975 54.840 0.098 0.000 0.814 394 L CB 1.896 43.998 42.059 0.071 0.000 1.257 394 L HN 0.387 nan 8.230 nan 0.000 0.424 395 P HA 0.119 nan 4.420 nan 0.000 0.271 395 P C -0.286 177.024 177.300 0.016 0.000 1.216 395 P CA -0.301 62.829 63.100 0.051 0.000 0.776 395 P CB 0.477 32.210 31.700 0.055 0.000 0.881 396 L N 1.487 122.698 121.223 -0.020 0.000 2.503 396 L HA -0.023 4.317 4.340 -0.000 0.000 0.287 396 L C 1.471 178.336 176.870 -0.009 0.000 1.252 396 L CA 0.093 54.915 54.840 -0.029 0.000 0.835 396 L CB -0.191 41.833 42.059 -0.059 0.000 1.099 396 L HN 0.541 nan 8.230 nan 0.000 0.516 397 E N 1.205 121.401 120.200 -0.007 0.000 2.413 397 E HA 0.158 4.508 4.350 -0.000 0.000 0.263 397 E C 0.908 177.509 176.600 0.002 0.000 1.015 397 E CA 0.161 56.561 56.400 0.001 0.000 0.916 397 E CB 0.559 30.260 29.700 0.002 0.000 0.947 397 E HN 0.793 nan 8.360 nan 0.000 0.440 398 G N 2.861 111.665 108.800 0.007 0.000 2.168 398 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 398 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 398 G C -0.000 174.906 174.900 0.011 0.000 0.977 398 G CA 0.402 45.507 45.100 0.008 0.000 0.659 398 G HN 0.590 nan 8.290 nan 0.000 0.533 399 S N 0.488 116.197 115.700 0.014 0.000 2.651 399 S HA 0.653 5.123 4.470 -0.000 0.000 0.291 399 S C 0.443 175.064 174.600 0.035 0.000 1.141 399 S CA -0.209 58.004 58.200 0.022 0.000 1.027 399 S CB 1.550 64.761 63.200 0.018 0.000 1.043 399 S HN 0.806 nan 8.310 nan 0.000 0.530 400 N N 0.124 118.851 118.700 0.044 0.000 2.476 400 N HA 0.362 5.102 4.740 -0.000 0.000 0.287 400 N C 1.251 176.810 175.510 0.082 0.000 1.262 400 N CA -0.339 52.745 53.050 0.056 0.000 0.980 400 N CB -0.537 37.981 38.487 0.052 0.000 1.163 400 N HN 0.526 nan 8.380 nan 0.000 0.592 401 G N -0.569 108.293 108.800 0.102 0.000 2.422 401 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 401 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 401 G C 1.386 176.430 174.900 0.240 0.000 1.140 401 G CA 0.380 45.575 45.100 0.157 0.000 0.775 401 G HN 0.438 nan 8.290 nan 0.000 0.545 402 L N 1.552 122.867 121.223 0.154 0.000 2.046 402 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 402 L C 3.327 180.146 176.870 -0.084 0.000 1.077 402 L CA 1.503 56.357 54.840 0.023 0.000 0.747 402 L CB -0.427 41.610 42.059 -0.037 0.000 0.896 402 L HN 0.430 nan 8.230 nan 0.000 0.432 403 S N 0.153 115.869 115.700 0.028 0.000 2.423 403 S HA -0.259 4.211 4.470 -0.000 0.000 0.238 403 S C 1.867 176.481 174.600 0.023 0.000 1.028 403 S CA 1.283 59.524 58.200 0.068 0.000 1.000 403 S CB -0.933 62.318 63.200 0.085 0.000 0.797 403 S HN 0.437 nan 8.310 nan 0.000 0.487 404 L N 0.802 122.104 121.223 0.131 0.000 2.447 404 L HA -0.103 4.237 4.340 -0.000 0.000 0.225 404 L C 2.807 179.936 176.870 0.431 0.000 1.148 404 L CA 1.080 56.136 54.840 0.360 0.000 0.808 404 L CB -0.617 41.749 42.059 0.512 0.000 0.928 404 L HN 0.486 nan 8.230 nan 0.000 0.448 405 Q N -1.277 118.361 119.800 -0.270 0.000 2.364 405 Q HA -0.164 4.176 4.340 -0.000 0.000 0.207 405 Q C 1.120 176.941 176.000 -0.298 0.000 0.970 405 Q CA 1.240 56.583 55.803 -0.767 0.000 0.888 405 Q CB 0.165 27.847 28.738 -1.761 0.000 0.951 405 Q HN 0.569 nan 8.270 nan 0.000 0.469 406 Y N -1.527 118.870 120.300 0.162 0.000 2.589 406 Y HA 0.304 4.854 4.550 -0.000 0.000 0.271 406 Y C 0.257 175.908 175.900 -0.415 0.000 1.107 406 Y CA -0.419 57.695 58.100 0.023 0.000 1.273 406 Y CB 0.999 39.427 38.460 -0.053 0.000 1.266 406 Y HN -0.116 nan 8.280 nan 0.000 0.504 407 D N -1.990 118.024 120.400 -0.644 0.000 2.728 407 D HA 0.504 5.144 4.640 -0.000 0.000 0.249 407 D C -0.495 175.178 176.300 -1.046 0.000 1.225 407 D CA 0.444 53.669 54.000 -1.292 0.000 0.748 407 D CB 1.667 42.131 40.800 -0.559 0.000 1.326 407 D HN 0.277 nan 8.370 nan 0.000 0.426 408 G N 0.438 108.509 108.800 -1.214 0.000 2.340 408 G HA2 0.417 4.377 3.960 -0.000 0.000 0.299 408 G HA3 0.417 4.377 3.960 -0.000 0.000 0.299 408 G C -1.623 173.140 174.900 -0.229 0.000 1.291 408 G CA -0.664 44.163 45.100 -0.454 0.000 0.841 408 G HN 0.434 nan 8.290 nan 0.000 0.500 409 E N -0.254 119.966 120.200 0.033 0.000 2.179 409 E HA 0.532 4.882 4.350 -0.000 0.000 0.275 409 E C -0.407 176.313 176.600 0.199 0.000 0.945 409 E CA -0.697 55.763 56.400 0.101 0.000 0.792 409 E CB 1.291 31.025 29.700 0.058 0.000 1.125 409 E HN 0.351 nan 8.360 nan 0.000 0.397 410 I N 3.038 123.730 120.570 0.204 0.000 2.396 410 I HA 0.085 4.255 4.170 -0.000 0.000 0.289 410 I C 0.223 176.405 176.117 0.108 0.000 1.056 410 I CA 0.032 61.435 61.300 0.172 0.000 1.365 410 I CB 1.300 39.404 38.000 0.172 0.000 1.407 410 I HN 0.244 nan 8.210 nan 0.000 0.509 411 S N 4.555 120.303 115.700 0.079 0.000 2.552 411 S HA 0.418 4.888 4.470 -0.000 0.000 0.314 411 S C -0.094 174.528 174.600 0.036 0.000 1.099 411 S CA -0.703 57.536 58.200 0.066 0.000 1.070 411 S CB 0.961 64.196 63.200 0.058 0.000 0.998 411 S HN 0.712 nan 8.310 nan 0.000 0.474 412 T N 2.050 116.647 114.554 0.072 0.000 2.869 412 T HA 0.517 4.867 4.350 -0.000 0.000 0.295 412 T C 0.540 175.280 174.700 0.066 0.000 0.987 412 T CA -0.566 61.550 62.100 0.026 0.000 1.109 412 T CB 0.742 69.708 68.868 0.164 0.000 0.932 412 T HN 0.643 nan 8.240 nan 0.000 0.518 413 T N 0.696 115.228 114.554 -0.036 0.000 2.918 413 T HA 0.394 4.744 4.350 -0.000 0.000 0.283 413 T C 1.208 175.971 174.700 0.105 0.000 1.001 413 T CA -1.161 60.955 62.100 0.028 0.000 1.041 413 T CB 1.126 69.978 68.868 -0.027 0.000 1.028 413 T HN 0.461 nan 8.240 nan 0.000 0.511 414 K N 1.075 121.584 120.400 0.182 0.000 2.218 414 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 414 K C 2.019 178.742 176.600 0.205 0.000 1.046 414 K CA 1.337 57.778 56.287 0.257 0.000 0.933 414 K CB -0.529 32.080 32.500 0.183 0.000 0.728 414 K HN 0.716 nan 8.250 nan 0.000 0.454 415 M N 0.199 119.883 119.600 0.140 0.000 2.296 415 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 415 M C 2.193 178.559 176.300 0.111 0.000 1.064 415 M CA 0.974 56.398 55.300 0.207 0.000 1.109 415 M CB -0.212 32.559 32.600 0.285 0.000 1.396 415 M HN 0.086 nan 8.290 nan 0.000 0.430 416 L N -0.844 120.274 121.223 -0.174 0.000 2.072 416 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 416 L C 1.931 178.570 176.870 -0.385 0.000 1.079 416 L CA 1.618 56.195 54.840 -0.439 0.000 0.752 416 L CB -0.161 41.401 42.059 -0.830 0.000 0.906 416 L HN 0.308 nan 8.230 nan 0.000 0.436 417 W N -0.045 121.264 121.300 0.016 0.000 2.409 417 W HA -0.170 4.490 4.660 -0.000 0.000 0.299 417 W C 2.839 179.380 176.519 0.038 0.000 1.203 417 W CA 1.358 58.704 57.345 0.001 0.000 1.298 417 W CB -0.845 28.612 29.460 -0.004 0.000 1.127 417 W HN 0.248 nan 8.180 nan 0.000 0.528 418 T N -3.069 111.645 114.554 0.267 0.000 2.833 418 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 418 T C 1.508 176.336 174.700 0.214 0.000 1.054 418 T CA 1.852 64.082 62.100 0.216 0.000 1.135 418 T CB -1.020 67.965 68.868 0.195 0.000 0.869 418 T HN -0.008 nan 8.240 nan 0.000 0.466 419 T N 2.147 116.807 114.554 0.177 0.000 2.746 419 T HA 0.117 4.467 4.350 -0.000 0.000 0.267 419 T C 2.453 177.187 174.700 0.056 0.000 1.039 419 T CA 1.244 63.424 62.100 0.133 0.000 1.142 419 T CB -0.744 68.307 68.868 0.306 0.000 0.866 419 T HN 0.615 nan 8.240 nan 0.000 0.444 420 A N 1.973 124.817 122.820 0.040 0.000 2.014 420 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 420 A C 2.218 179.832 177.584 0.050 0.000 1.163 420 A CA 0.971 53.005 52.037 -0.006 0.000 0.652 420 A CB -0.617 18.377 19.000 -0.010 0.000 0.808 420 A HN 0.417 nan 8.150 nan 0.000 0.449 421 N N -1.152 117.618 118.700 0.117 0.000 2.133 421 N HA -0.241 4.499 4.740 -0.000 0.000 0.193 421 N C 1.449 176.939 175.510 -0.033 0.000 1.012 421 N CA 2.182 55.282 53.050 0.083 0.000 0.871 421 N CB -0.314 38.162 38.487 -0.017 0.000 1.011 421 N HN 0.720 nan 8.380 nan 0.000 0.435 422 Y N 0.460 120.693 120.300 -0.113 0.000 2.222 422 Y HA -0.025 4.525 4.550 -0.000 0.000 0.290 422 Y C 2.859 178.375 175.900 -0.640 0.000 1.123 422 Y CA 1.069 58.956 58.100 -0.355 0.000 1.120 422 Y CB -0.634 37.511 38.460 -0.524 0.000 1.060 422 Y HN 0.049 nan 8.280 nan 0.000 0.508 423 S N -0.165 115.095 115.700 -0.733 0.000 2.402 423 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 423 S C 1.888 176.275 174.600 -0.356 0.000 1.021 423 S CA 1.036 58.724 58.200 -0.853 0.000 0.974 423 S CB -1.113 61.761 63.200 -0.543 0.000 0.800 423 S HN 0.407 nan 8.310 nan 0.000 0.484 424 F N 1.148 120.821 119.950 -0.462 0.000 2.234 424 F HA 0.156 4.683 4.527 -0.000 0.000 0.299 424 F C 1.336 176.711 175.800 -0.709 0.000 1.087 424 F CA 1.009 58.618 58.000 -0.651 0.000 1.340 424 F CB -0.043 38.395 39.000 -0.938 0.000 1.031 424 F HN 0.178 nan 8.300 nan 0.000 0.500 425 F N -1.235 118.664 119.950 -0.085 0.000 2.653 425 F HA 0.248 4.775 4.527 -0.000 0.000 0.288 425 F C 0.473 176.228 175.800 -0.074 0.000 1.121 425 F CA -0.086 57.870 58.000 -0.073 0.000 1.384 425 F CB -0.270 38.733 39.000 0.004 0.000 1.115 425 F HN -0.465 nan 8.300 nan 0.000 0.599 426 V N 3.797 123.736 119.914 0.043 0.000 2.320 426 V HA 0.338 4.458 4.120 -0.000 0.000 0.265 426 V C 0.077 176.228 176.094 0.094 0.000 1.048 426 V CA -0.685 61.638 62.300 0.039 0.000 0.865 426 V CB 0.064 31.833 31.823 -0.089 0.000 1.043 426 V HN 0.020 nan 8.190 nan 0.000 0.474 427 R N 4.316 124.869 120.500 0.089 0.000 2.643 427 R HA 0.503 4.843 4.340 -0.000 0.000 0.272 427 R C -2.662 173.694 176.300 0.094 0.000 0.995 427 R CA -2.357 53.782 56.100 0.064 0.000 1.032 427 R CB 0.945 31.253 30.300 0.013 0.000 1.126 427 R HN 0.282 nan 8.270 nan 0.000 0.505 428 P HA -0.092 nan 4.420 nan 0.000 0.263 428 P C 0.799 178.146 177.300 0.078 0.000 1.168 428 P CA 1.367 64.511 63.100 0.073 0.000 0.759 428 P CB 0.335 32.066 31.700 0.052 0.000 0.782 429 G N 1.916 110.772 108.800 0.094 0.000 2.383 429 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.229 429 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.229 429 G C 0.402 175.367 174.900 0.108 0.000 1.089 429 G CA 0.023 45.179 45.100 0.093 0.000 0.640 429 G HN 0.495 nan 8.290 nan 0.000 0.510 430 M N 0.901 120.574 119.600 0.122 0.000 2.235 430 M HA 0.282 4.762 4.480 -0.000 0.000 0.316 430 M C 0.536 176.948 176.300 0.187 0.000 1.035 430 M CA 1.060 56.454 55.300 0.156 0.000 1.084 430 M CB 0.297 33.011 32.600 0.190 0.000 1.529 430 M HN 0.276 nan 8.290 nan 0.000 0.440 431 K N 1.220 121.732 120.400 0.187 0.000 2.259 431 K HA 0.451 4.771 4.320 -0.000 0.000 0.249 431 K C -0.663 176.061 176.600 0.208 0.000 0.942 431 K CA -0.851 55.547 56.287 0.186 0.000 0.816 431 K CB 1.982 34.550 32.500 0.113 0.000 1.155 431 K HN 0.481 nan 8.250 nan 0.000 0.428 432 R N 3.180 123.806 120.500 0.211 0.000 2.543 432 R HA 0.319 4.659 4.340 -0.000 0.000 0.277 432 R C -0.315 176.011 176.300 0.044 0.000 1.074 432 R CA -0.170 55.947 56.100 0.028 0.000 1.076 432 R CB 0.279 30.611 30.300 0.053 0.000 0.993 432 R HN 0.695 nan 8.270 nan 0.000 0.459 433 I N -0.015 120.524 120.570 -0.050 0.000 3.042 433 I HA 0.633 4.803 4.170 -0.000 0.000 0.310 433 I C -0.665 175.468 176.117 0.027 0.000 1.117 433 I CA -1.436 59.819 61.300 -0.074 0.000 1.003 433 I CB 2.141 40.098 38.000 -0.072 0.000 1.228 433 I HN 0.632 nan 8.210 nan 0.000 0.443 434 A N 4.115 126.925 122.820 -0.018 0.000 2.401 434 A HA 0.621 4.941 4.320 -0.000 0.000 0.259 434 A C -0.459 177.178 177.584 0.088 0.000 1.103 434 A CA -0.258 51.871 52.037 0.153 0.000 0.789 434 A CB 0.336 19.394 19.000 0.097 0.000 1.035 434 A HN 0.810 nan 8.150 nan 0.000 0.491 435 I N 0.994 121.638 120.570 0.124 0.000 2.503 435 I HA 0.651 4.821 4.170 -0.000 0.000 0.282 435 I C -0.147 176.097 176.117 0.212 0.000 1.059 435 I CA -0.264 61.119 61.300 0.139 0.000 1.081 435 I CB 1.212 39.274 38.000 0.104 0.000 1.210 435 I HN 0.696 nan 8.210 nan 0.000 0.450 436 K N 7.959 128.469 120.400 0.183 0.000 2.207 436 K HA 0.857 5.177 4.320 -0.000 0.000 0.255 436 K C -3.155 173.481 176.600 0.060 0.000 0.941 436 K CA -1.685 54.686 56.287 0.140 0.000 0.825 436 K CB 1.033 33.575 32.500 0.070 0.000 1.119 436 K HN 0.478 nan 8.250 nan 0.000 0.430 437 P HA 0.231 nan 4.420 nan 0.000 0.278 437 P C 0.934 178.075 177.300 -0.264 0.000 1.258 437 P CA 0.074 62.857 63.100 -0.529 0.000 0.811 437 P CB 1.159 32.341 31.700 -0.863 0.000 1.063 438 T N -3.203 111.190 114.554 -0.267 0.000 2.652 438 T HA -0.157 4.192 4.350 -0.000 0.000 0.267 438 T C 1.154 175.779 174.700 -0.125 0.000 1.039 438 T CA 1.388 63.397 62.100 -0.151 0.000 1.153 438 T CB -1.761 67.029 68.868 -0.129 0.000 0.863 438 T HN 0.448 nan 8.240 nan 0.000 0.428 439 Y N 1.546 121.755 120.300 -0.152 0.000 2.383 439 Y HA 0.710 5.260 4.550 -0.000 0.000 0.344 439 Y C 0.742 176.583 175.900 -0.098 0.000 0.986 439 Y CA -1.728 56.309 58.100 -0.105 0.000 1.175 439 Y CB -0.759 37.645 38.460 -0.092 0.000 1.152 439 Y HN 0.790 nan 8.280 nan 0.000 0.511 440 K N 1.817 122.182 120.400 -0.058 0.000 2.412 440 K HA 0.747 5.067 4.320 -0.000 0.000 0.281 440 K C -0.233 176.356 176.600 -0.018 0.000 1.027 440 K CA 0.552 56.819 56.287 -0.032 0.000 0.989 440 K CB -0.263 32.227 32.500 -0.016 0.000 0.935 440 K HN 2.302 nan 8.250 nan 0.000 0.475 441 I N -0.133 120.438 120.570 0.001 0.000 2.797 441 I HA 0.855 5.025 4.170 -0.000 0.000 0.307 441 I C 0.770 176.899 176.117 0.021 0.000 1.033 441 I CA -0.693 60.616 61.300 0.015 0.000 1.071 441 I CB 1.078 39.097 38.000 0.033 0.000 1.255 441 I HN 1.184 nan 8.210 nan 0.000 0.445 442 S N 1.129 116.837 115.700 0.014 0.000 2.565 442 S HA 0.417 4.887 4.470 -0.000 0.000 0.274 442 S C 0.907 175.516 174.600 0.015 0.000 1.309 442 S CA 0.003 58.209 58.200 0.009 0.000 1.043 442 S CB -0.016 63.183 63.200 -0.001 0.000 0.939 442 S HN 0.816 nan 8.310 nan 0.000 0.504 443 D N 1.234 121.641 120.400 0.013 0.000 2.192 443 D HA -0.197 4.443 4.640 -0.000 0.000 0.189 443 D C 1.782 178.080 176.300 -0.004 0.000 1.007 443 D CA 1.637 55.644 54.000 0.013 0.000 0.859 443 D CB -0.239 40.557 40.800 -0.005 0.000 0.936 443 D HN 0.575 nan 8.370 nan 0.000 0.447 444 L N 0.844 122.056 121.223 -0.018 0.000 2.131 444 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 444 L C 2.382 179.232 176.870 -0.034 0.000 1.092 444 L CA 2.567 57.386 54.840 -0.035 0.000 0.759 444 L CB -0.822 41.216 42.059 -0.035 0.000 0.903 444 L HN 0.132 nan 8.230 nan 0.000 0.435 445 E N -0.204 119.987 120.200 -0.015 0.000 2.072 445 E HA -0.061 4.288 4.350 -0.000 0.000 0.190 445 E C 2.243 178.841 176.600 -0.004 0.000 0.982 445 E CA 1.337 57.733 56.400 -0.006 0.000 0.803 445 E CB -1.243 28.460 29.700 0.005 0.000 0.755 445 E HN 0.725 nan 8.360 nan 0.000 0.453 446 A N 1.068 123.893 122.820 0.008 0.000 1.908 446 A HA 0.205 4.525 4.320 -0.000 0.000 0.218 446 A C 2.841 180.397 177.584 -0.047 0.000 1.181 446 A CA 2.479 54.524 52.037 0.014 0.000 0.627 446 A CB -0.821 18.214 19.000 0.058 0.000 0.818 446 A HN 1.103 nan 8.150 nan 0.000 0.445 447 A N -0.557 122.216 122.820 -0.078 0.000 2.084 447 A HA -0.085 4.235 4.320 -0.000 0.000 0.221 447 A C 1.994 179.357 177.584 -0.368 0.000 1.161 447 A CA 2.275 54.198 52.037 -0.191 0.000 0.653 447 A CB -0.936 17.967 19.000 -0.162 0.000 0.802 447 A HN 0.869 nan 8.150 nan 0.000 0.457 448 T N -4.149 110.279 114.554 -0.210 0.000 3.132 448 T HA 0.363 4.713 4.350 -0.000 0.000 0.274 448 T C 0.956 175.691 174.700 0.059 0.000 1.011 448 T CA 0.680 62.686 62.100 -0.157 0.000 0.899 448 T CB 0.134 68.978 68.868 -0.040 0.000 1.089 448 T HN 0.598 nan 8.240 nan 0.000 0.543 449 S N 0.536 116.265 115.700 0.048 0.000 4.098 449 S HA 0.576 5.046 4.470 -0.000 0.000 0.193 449 S C -0.556 174.102 174.600 0.097 0.000 1.049 449 S CA -0.373 57.884 58.200 0.095 0.000 1.034 449 S CB 0.302 63.541 63.200 0.065 0.000 1.380 449 S HN 0.274 nan 8.310 nan 0.000 0.629 450 L N 1.453 122.710 121.223 0.057 0.000 2.516 450 L HA 0.728 5.068 4.340 -0.000 0.000 0.267 450 L C -1.771 175.084 176.870 -0.026 0.000 0.957 450 L CA -0.477 54.386 54.840 0.038 0.000 0.860 450 L CB 1.870 43.988 42.059 0.098 0.000 1.265 450 L HN 0.566 nan 8.230 nan 0.000 0.403 451 M N 6.090 125.593 119.600 -0.162 0.000 2.465 451 M HA 0.658 5.138 4.480 -0.000 0.000 0.316 451 M C -1.274 174.804 176.300 -0.370 0.000 1.121 451 M CA -0.529 54.502 55.300 -0.448 0.000 0.934 451 M CB 2.499 34.508 32.600 -0.986 0.000 1.692 451 M HN 0.616 nan 8.290 nan 0.000 0.444 452 I N 1.936 122.428 120.570 -0.129 0.000 2.743 452 I HA 0.563 4.733 4.170 -0.000 0.000 0.292 452 I C -1.421 174.816 176.117 0.199 0.000 1.343 452 I CA 0.069 61.354 61.300 -0.025 0.000 1.038 452 I CB 1.750 39.544 38.000 -0.343 0.000 1.311 452 I HN 0.848 nan 8.210 nan 0.000 0.426 453 S N 3.907 119.726 115.700 0.200 0.000 2.588 453 S HA 0.860 5.330 4.470 -0.000 0.000 0.275 453 S C -1.056 173.573 174.600 0.048 0.000 1.130 453 S CA -0.728 57.562 58.200 0.149 0.000 0.855 453 S CB 2.013 65.412 63.200 0.331 0.000 1.116 453 S HN 0.578 nan 8.310 nan 0.000 0.472 454 S N 0.328 115.859 115.700 -0.282 0.000 2.564 454 S HA 0.819 5.289 4.470 -0.000 0.000 0.274 454 S C -1.910 172.356 174.600 -0.556 0.000 1.124 454 S CA -0.657 57.430 58.200 -0.188 0.000 0.869 454 S CB 0.970 64.137 63.200 -0.054 0.000 1.105 454 S HN 0.711 nan 8.310 nan 0.000 0.472 455 Y N -0.121 120.241 120.300 0.104 0.000 2.519 455 Y HA 0.700 5.250 4.550 -0.000 0.000 0.336 455 Y C 0.104 176.060 175.900 0.093 0.000 1.089 455 Y CA -0.724 57.447 58.100 0.118 0.000 1.025 455 Y CB 2.410 40.962 38.460 0.154 0.000 1.318 455 Y HN 0.652 nan 8.280 nan 0.000 0.452 456 T N 0.363 115.044 114.554 0.212 0.000 2.853 456 T HA 0.305 4.655 4.350 -0.000 0.000 0.311 456 T C -1.291 173.488 174.700 0.131 0.000 1.307 456 T CA -0.671 61.519 62.100 0.149 0.000 1.019 456 T CB 1.157 70.080 68.868 0.092 0.000 1.264 456 T HN 0.772 nan 8.240 nan 0.000 0.497 457 D N 0.582 121.047 120.400 0.108 0.000 2.538 457 D HA 0.297 4.937 4.640 -0.000 0.000 0.231 457 D C 1.410 177.750 176.300 0.066 0.000 1.229 457 D CA 0.500 54.552 54.000 0.087 0.000 0.828 457 D CB -0.217 40.633 40.800 0.084 0.000 1.035 457 D HN 1.136 nan 8.370 nan 0.000 0.495 458 G N -0.167 108.671 108.800 0.062 0.000 2.212 458 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.266 458 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.266 458 G C 1.206 176.135 174.900 0.049 0.000 0.978 458 G CA 1.030 46.160 45.100 0.049 0.000 0.632 458 G HN 0.851 nan 8.290 nan 0.000 0.537 459 K N -0.502 119.932 120.400 0.056 0.000 2.344 459 K HA 0.651 4.971 4.320 -0.000 0.000 0.200 459 K C 0.887 177.525 176.600 0.063 0.000 1.132 459 K CA 1.462 57.782 56.287 0.055 0.000 0.935 459 K CB 0.246 32.778 32.500 0.054 0.000 1.089 459 K HN 0.572 nan 8.250 nan 0.000 0.496 460 E N -0.262 119.984 120.200 0.076 0.000 2.244 460 E HA 0.572 4.922 4.350 -0.000 0.000 0.266 460 E C -1.648 175.007 176.600 0.090 0.000 0.914 460 E CA -0.919 55.533 56.400 0.087 0.000 0.794 460 E CB 2.447 32.212 29.700 0.109 0.000 1.210 460 E HN 0.057 nan 8.360 nan 0.000 0.414 461 V N 3.379 123.343 119.914 0.082 0.000 2.448 461 V HA 0.348 4.468 4.120 -0.000 0.000 0.295 461 V C -0.519 175.630 176.094 0.092 0.000 1.025 461 V CA -0.784 61.569 62.300 0.088 0.000 0.859 461 V CB 1.578 33.436 31.823 0.059 0.000 0.988 461 V HN 0.431 nan 8.190 nan 0.000 0.431 462 V N 3.736 123.736 119.914 0.143 0.000 2.483 462 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 462 V C 0.127 176.319 176.094 0.164 0.000 1.035 462 V CA -0.251 62.131 62.300 0.137 0.000 0.896 462 V CB 2.056 33.989 31.823 0.182 0.000 0.986 462 V HN 0.945 nan 8.190 nan 0.000 0.447 463 T N 3.557 118.151 114.554 0.066 0.000 2.937 463 T HA 0.546 4.896 4.350 -0.000 0.000 0.297 463 T C -0.711 173.972 174.700 -0.028 0.000 0.991 463 T CA -0.413 61.713 62.100 0.043 0.000 0.990 463 T CB 1.644 70.503 68.868 -0.015 0.000 0.991 463 T HN 0.352 nan 8.240 nan 0.000 0.440 464 V N 2.544 122.445 119.914 -0.022 0.000 2.378 464 V HA 0.802 4.922 4.120 -0.000 0.000 0.288 464 V C 0.028 176.054 176.094 -0.113 0.000 1.016 464 V CA -0.891 61.309 62.300 -0.167 0.000 0.840 464 V CB 1.278 32.783 31.823 -0.529 0.000 0.994 464 V HN 1.076 nan 8.190 nan 0.000 0.431 465 A N 6.343 129.084 122.820 -0.132 0.000 2.303 465 A HA 0.884 5.204 4.320 -0.000 0.000 0.320 465 A C -0.646 176.884 177.584 -0.090 0.000 1.192 465 A CA -0.480 51.476 52.037 -0.134 0.000 0.821 465 A CB 0.594 19.502 19.000 -0.153 0.000 1.188 465 A HN 0.805 nan 8.150 nan 0.000 0.492 466 I N 2.882 123.401 120.570 -0.085 0.000 2.359 466 I HA 0.187 4.357 4.170 -0.000 0.000 0.284 466 I C -0.006 176.116 176.117 0.007 0.000 1.018 466 I CA -0.585 60.704 61.300 -0.018 0.000 1.173 466 I CB 1.365 39.377 38.000 0.020 0.000 1.326 466 I HN 0.616 nan 8.210 nan 0.000 0.462 467 N N 5.363 124.072 118.700 0.017 0.000 2.555 467 N HA 0.017 4.757 4.740 -0.000 0.000 0.244 467 N C 0.304 175.854 175.510 0.066 0.000 1.114 467 N CA 0.142 53.217 53.050 0.041 0.000 0.963 467 N CB 0.194 38.692 38.487 0.019 0.000 1.276 467 N HN 0.474 nan 8.380 nan 0.000 0.510 468 Y N 1.893 122.192 120.300 -0.002 0.000 2.583 468 Y HA 0.009 4.559 4.550 -0.000 0.000 0.293 468 Y C 1.203 177.120 175.900 0.030 0.000 1.157 468 Y CA 0.256 58.366 58.100 0.017 0.000 1.315 468 Y CB 0.204 38.671 38.460 0.011 0.000 1.021 468 Y HN 0.477 nan 8.280 nan 0.000 0.536 469 S N -0.435 115.348 115.700 0.138 0.000 2.652 469 S HA 0.183 4.653 4.470 -0.000 0.000 0.270 469 S C 0.583 175.212 174.600 0.047 0.000 1.243 469 S CA -0.799 57.463 58.200 0.104 0.000 0.999 469 S CB 1.475 64.729 63.200 0.090 0.000 0.973 469 S HN 0.301 nan 8.310 nan 0.000 0.544 470 K N 0.523 120.951 120.400 0.046 0.000 2.522 470 K HA 0.168 4.488 4.320 -0.000 0.000 0.194 470 K C -0.263 176.351 176.600 0.023 0.000 1.026 470 K CA 0.397 56.700 56.287 0.026 0.000 1.119 470 K CB -0.059 32.460 32.500 0.031 0.000 0.856 470 K HN 0.632 nan 8.250 nan 0.000 0.513 471 E N 0.343 120.560 120.200 0.027 0.000 2.288 471 E HA 0.214 4.564 4.350 -0.000 0.000 0.268 471 E C -0.980 175.633 176.600 0.021 0.000 0.885 471 E CA -1.008 55.406 56.400 0.023 0.000 0.767 471 E CB 1.193 30.910 29.700 0.028 0.000 1.220 471 E HN 0.021 nan 8.360 nan 0.000 0.427 472 N N 1.619 120.328 118.700 0.015 0.000 2.441 472 N HA 0.165 4.905 4.740 -0.000 0.000 0.251 472 N C -0.348 175.175 175.510 0.021 0.000 1.242 472 N CA 0.205 53.263 53.050 0.013 0.000 0.898 472 N CB 0.641 39.132 38.487 0.006 0.000 1.100 472 N HN 0.616 nan 8.380 nan 0.000 0.443 473 Q N -0.011 119.803 119.800 0.023 0.000 2.372 473 Q HA 0.611 4.950 4.340 -0.000 0.000 0.273 473 Q C -0.933 175.087 176.000 0.032 0.000 1.078 473 Q CA -0.975 54.849 55.803 0.036 0.000 0.806 473 Q CB 1.497 30.266 28.738 0.052 0.000 1.332 473 Q HN 0.458 nan 8.270 nan 0.000 0.435 474 V N 2.829 122.767 119.914 0.040 0.000 2.459 474 V HA 0.792 4.912 4.120 -0.000 0.000 0.295 474 V C 0.138 176.272 176.094 0.066 0.000 1.029 474 V CA -0.432 61.890 62.300 0.037 0.000 0.874 474 V CB 0.816 32.654 31.823 0.026 0.000 0.985 474 V HN 1.027 nan 8.190 nan 0.000 0.438 475 I N 0.790 121.403 120.570 0.070 0.000 3.067 475 I HA 1.038 5.208 4.170 -0.000 0.000 0.312 475 I C 0.006 176.179 176.117 0.094 0.000 1.073 475 I CA -0.690 60.684 61.300 0.124 0.000 1.016 475 I CB 2.323 40.426 38.000 0.172 0.000 1.227 475 I HN 0.629 nan 8.210 nan 0.000 0.456 476 S N 3.300 119.079 115.700 0.131 0.000 2.659 476 S HA 0.717 5.187 4.470 -0.000 0.000 0.312 476 S C -0.975 173.702 174.600 0.129 0.000 1.114 476 S CA -0.508 57.747 58.200 0.092 0.000 1.063 476 S CB 1.034 64.273 63.200 0.066 0.000 0.996 476 S HN 0.585 nan 8.310 nan 0.000 0.478 477 L N 2.621 123.893 121.223 0.082 0.000 2.292 477 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 477 L C -0.257 176.650 176.870 0.061 0.000 1.065 477 L CA -0.386 54.501 54.840 0.078 0.000 0.806 477 L CB 1.139 43.215 42.059 0.029 0.000 1.175 477 L HN 0.757 nan 8.230 nan 0.000 0.431 478 N N 3.290 122.032 118.700 0.070 0.000 2.564 478 N HA 0.403 5.143 4.740 -0.000 0.000 0.248 478 N C -1.686 173.833 175.510 0.015 0.000 0.986 478 N CA -0.324 52.747 53.050 0.035 0.000 0.921 478 N CB 0.760 39.265 38.487 0.030 0.000 1.136 478 N HN 0.649 nan 8.380 nan 0.000 0.509 479 C N 3.477 122.774 119.300 -0.005 0.000 2.397 479 C HA 0.704 5.164 4.460 -0.000 0.000 0.325 479 C C 1.264 176.220 174.990 -0.058 0.000 1.201 479 C CA 0.628 59.635 59.018 -0.019 0.000 1.377 479 C CB -0.429 27.311 27.740 0.001 0.000 2.038 479 C HN 1.000 nan 8.230 nan 0.000 0.457 480 D N 2.483 122.817 120.400 -0.111 0.000 4.006 480 D HA -0.367 4.273 4.640 -0.000 0.000 0.295 480 D C 0.713 176.796 176.300 -0.360 0.000 0.670 480 D CA 2.659 56.504 54.000 -0.258 0.000 0.851 480 D CB -1.164 39.546 40.800 -0.150 0.000 0.365 480 D HN 0.973 nan 8.370 nan 0.000 0.282 481 H N 0.199 119.278 119.070 0.014 0.000 2.705 481 H HA 0.604 5.160 4.556 -0.000 0.000 0.269 481 H C 1.476 176.811 175.328 0.012 0.000 0.998 481 H CA 0.252 56.308 56.048 0.012 0.000 1.193 481 H CB 0.357 30.125 29.762 0.010 0.000 1.485 481 H HN 0.802 nan 8.280 nan 0.000 0.521 482 A N 1.039 123.907 122.820 0.081 0.000 2.587 482 A HA 0.185 4.505 4.320 -0.000 0.000 0.235 482 A C 1.514 179.124 177.584 0.043 0.000 1.044 482 A CA 0.989 53.059 52.037 0.054 0.000 0.754 482 A CB -0.109 18.911 19.000 0.033 0.000 0.968 482 A HN 0.648 nan 8.150 nan 0.000 0.509 483 Q N 1.634 121.455 119.800 0.035 0.000 2.392 483 Q HA 0.295 4.635 4.340 -0.000 0.000 0.219 483 Q C 0.589 176.596 176.000 0.012 0.000 0.895 483 Q CA 1.521 57.339 55.803 0.024 0.000 0.929 483 Q CB -0.241 28.511 28.738 0.022 0.000 1.077 483 Q HN 1.043 nan 8.270 nan 0.000 0.532 484 K N -3.063 117.343 120.400 0.009 0.000 2.555 484 K HA 0.767 5.087 4.320 -0.000 0.000 0.279 484 K C -0.375 176.223 176.600 -0.004 0.000 0.986 484 K CA -0.654 55.632 56.287 -0.003 0.000 0.880 484 K CB 1.624 34.119 32.500 -0.009 0.000 1.474 484 K HN 0.302 nan 8.250 nan 0.000 0.433 485 G N 0.830 109.620 108.800 -0.018 0.000 2.692 485 G HA2 0.429 4.389 3.960 -0.000 0.000 0.291 485 G HA3 0.429 4.389 3.960 -0.000 0.000 0.291 485 G C -1.677 173.192 174.900 -0.051 0.000 1.423 485 G CA -1.132 43.955 45.100 -0.022 0.000 0.843 485 G HN 0.407 nan 8.290 nan 0.000 0.486 486 K N 0.058 120.423 120.400 -0.058 0.000 2.276 486 K HA 0.506 4.826 4.320 -0.000 0.000 0.283 486 K C -0.556 175.865 176.600 -0.298 0.000 1.044 486 K CA -0.369 55.839 56.287 -0.133 0.000 0.944 486 K CB 1.955 34.393 32.500 -0.104 0.000 1.012 486 K HN 0.159 nan 8.250 nan 0.000 0.472 487 V N 4.552 124.263 119.914 -0.338 0.000 2.417 487 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 487 V C -1.143 174.759 176.094 -0.319 0.000 1.024 487 V CA -0.824 61.319 62.300 -0.263 0.000 0.861 487 V CB 0.537 32.267 31.823 -0.156 0.000 0.985 487 V HN 0.571 nan 8.190 nan 0.000 0.436 488 Y N 4.996 125.313 120.300 0.028 0.000 2.376 488 Y HA 0.757 5.307 4.550 -0.000 0.000 0.340 488 Y C -0.432 175.488 175.900 0.033 0.000 0.965 488 Y CA -0.934 57.221 58.100 0.092 0.000 1.078 488 Y CB 1.953 40.511 38.460 0.164 0.000 1.193 488 Y HN 0.467 nan 8.280 nan 0.000 0.452 489 L N 2.815 124.137 121.223 0.165 0.000 2.409 489 L HA 0.646 4.986 4.340 -0.000 0.000 0.272 489 L C -0.776 176.117 176.870 0.038 0.000 0.980 489 L CA -0.287 54.593 54.840 0.065 0.000 0.826 489 L CB 2.068 44.135 42.059 0.014 0.000 1.268 489 L HN 0.648 nan 8.230 nan 0.000 0.407 490 T N 2.778 117.358 114.554 0.044 0.000 2.779 490 T HA 0.753 5.103 4.350 -0.000 0.000 0.280 490 T C -0.082 174.632 174.700 0.023 0.000 0.987 490 T CA -0.367 61.755 62.100 0.036 0.000 0.966 490 T CB 1.245 70.182 68.868 0.115 0.000 0.933 490 T HN 0.773 nan 8.240 nan 0.000 0.442 491 T N -0.400 114.155 114.554 0.001 0.000 2.778 491 T HA 0.484 4.834 4.350 -0.000 0.000 0.293 491 T C 1.195 175.895 174.700 -0.000 0.000 1.144 491 T CA -0.917 61.181 62.100 -0.002 0.000 1.010 491 T CB 0.830 69.689 68.868 -0.015 0.000 1.325 491 T HN 0.406 nan 8.240 nan 0.000 0.515 492 I N 0.198 120.767 120.570 -0.002 0.000 2.597 492 I HA -0.168 4.002 4.170 -0.000 0.000 0.262 492 I C 0.606 176.720 176.117 -0.006 0.000 1.194 492 I CA 1.886 63.187 61.300 0.002 0.000 1.437 492 I CB -0.021 37.978 38.000 -0.002 0.000 1.096 492 I HN 0.584 nan 8.210 nan 0.000 0.451 493 D N 0.034 120.422 120.400 -0.020 0.000 2.479 493 D HA 0.192 4.832 4.640 -0.000 0.000 0.216 493 D C -0.144 176.120 176.300 -0.060 0.000 1.110 493 D CA 0.358 54.339 54.000 -0.033 0.000 0.841 493 D CB 0.535 41.316 40.800 -0.032 0.000 1.040 493 D HN 0.251 nan 8.370 nan 0.000 0.505 494 K N 0.733 121.089 120.400 -0.074 0.000 2.482 494 K HA 0.400 4.720 4.320 -0.000 0.000 0.251 494 K C -1.040 175.432 176.600 -0.212 0.000 0.936 494 K CA -0.741 55.470 56.287 -0.127 0.000 0.791 494 K CB 1.932 34.379 32.500 -0.087 0.000 1.213 494 K HN -0.264 nan 8.250 nan 0.000 0.428 495 N N 3.131 121.576 118.700 -0.425 0.000 2.527 495 N HA 0.115 4.855 4.740 -0.000 0.000 0.236 495 N C -0.282 174.784 175.510 -0.741 0.000 0.999 495 N CA -0.534 51.966 53.050 -0.916 0.000 0.935 495 N CB 0.856 38.281 38.487 -1.769 0.000 1.132 495 N HN 0.558 nan 8.380 nan 0.000 0.511 496 L N 1.234 122.276 121.223 -0.302 0.000 4.173 496 L HA -0.280 4.060 4.340 -0.000 0.000 0.475 496 L C 0.316 177.167 176.870 -0.030 0.000 1.115 496 L CA 0.649 55.453 54.840 -0.060 0.000 0.702 496 L CB -0.963 41.133 42.059 0.062 0.000 1.615 496 L HN 0.509 nan 8.230 nan 0.000 0.803 497 R N 1.019 121.501 120.500 -0.031 0.000 2.449 497 R HA 0.074 4.414 4.340 -0.000 0.000 0.296 497 R C -0.322 176.103 176.300 0.209 0.000 1.047 497 R CA -0.237 55.886 56.100 0.040 0.000 1.018 497 R CB 0.331 30.612 30.300 -0.031 0.000 0.962 497 R HN 0.286 nan 8.270 nan 0.000 0.428 498 Y N 5.968 126.350 120.300 0.136 0.000 2.569 498 Y HA 0.006 4.556 4.550 -0.000 0.000 0.332 498 Y C 0.256 176.112 175.900 -0.073 0.000 1.120 498 Y CA -0.005 58.134 58.100 0.065 0.000 1.416 498 Y CB 0.763 39.309 38.460 0.145 0.000 1.210 498 Y HN 0.657 nan 8.280 nan 0.000 0.528 499 M N 4.676 124.076 119.600 -0.332 0.000 2.382 499 M HA 0.282 4.762 4.480 -0.000 0.000 0.247 499 M C 0.908 176.854 176.300 -0.590 0.000 1.104 499 M CA 0.797 55.870 55.300 -0.377 0.000 1.030 499 M CB -0.768 31.711 32.600 -0.202 0.000 1.424 499 M HN 0.864 nan 8.290 nan 0.000 0.486 500 G N 1.237 109.374 108.800 -1.105 0.000 2.592 500 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.684 500 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.684 500 G C -0.931 173.768 174.900 -0.337 0.000 1.291 500 G CA -0.958 43.605 45.100 -0.895 0.000 0.891 500 G HN 0.336 nan 8.290 nan 0.000 0.544 501 E N -0.093 120.014 120.200 -0.155 0.000 2.392 501 E HA 0.461 4.811 4.350 -0.000 0.000 0.264 501 E C 0.199 176.740 176.600 -0.100 0.000 1.024 501 E CA 0.413 56.767 56.400 -0.077 0.000 0.903 501 E CB 0.875 30.556 29.700 -0.031 0.000 0.963 501 E HN 0.524 nan 8.360 nan 0.000 0.432 502 Q N 2.182 121.936 119.800 -0.077 0.000 2.345 502 Q HA 0.292 4.632 4.340 -0.000 0.000 0.275 502 Q C -2.617 173.356 176.000 -0.044 0.000 1.063 502 Q CA -2.193 53.567 55.803 -0.071 0.000 0.819 502 Q CB 1.992 30.679 28.738 -0.085 0.000 1.356 502 Q HN 0.207 nan 8.270 nan 0.000 0.418 503 P HA -0.025 nan 4.420 nan 0.000 0.260 503 P C 0.388 177.680 177.300 -0.014 0.000 1.207 503 P CA 0.437 63.525 63.100 -0.019 0.000 0.780 503 P CB 0.497 32.187 31.700 -0.017 0.000 0.789 504 L N 2.618 123.837 121.223 -0.006 0.000 2.129 504 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 504 L C 2.676 179.554 176.870 0.013 0.000 1.087 504 L CA 2.606 57.447 54.840 0.002 0.000 0.757 504 L CB -1.122 40.942 42.059 0.009 0.000 0.896 504 L HN 0.354 nan 8.230 nan 0.000 0.434 505 K N 0.592 121.000 120.400 0.013 0.000 2.296 505 K HA 0.044 4.364 4.320 -0.000 0.000 0.200 505 K C 1.278 177.889 176.600 0.018 0.000 1.048 505 K CA 1.488 57.787 56.287 0.020 0.000 0.966 505 K CB -0.565 31.944 32.500 0.016 0.000 0.754 505 K HN 0.389 nan 8.250 nan 0.000 0.466 506 K N 0.982 121.387 120.400 0.008 0.000 2.827 506 K HA 0.633 4.953 4.320 -0.000 0.000 0.186 506 K C -0.703 175.895 176.600 -0.004 0.000 1.093 506 K CA -0.492 55.798 56.287 0.005 0.000 0.993 506 K CB -0.184 32.315 32.500 -0.001 0.000 1.199 506 K HN 0.280 nan 8.250 nan 0.000 0.598 507 L N 2.506 123.730 121.223 0.001 0.000 2.262 507 L HA 0.509 4.849 4.340 -0.000 0.000 0.288 507 L C 0.974 177.839 176.870 -0.009 0.000 1.035 507 L CA -0.980 53.852 54.840 -0.013 0.000 0.820 507 L CB 1.584 43.632 42.059 -0.019 0.000 1.204 507 L HN 0.764 nan 8.230 nan 0.000 0.424 508 Q N 5.344 125.133 119.800 -0.019 0.000 2.296 508 Q HA 0.524 4.864 4.340 -0.000 0.000 0.262 508 Q C -0.692 175.297 176.000 -0.019 0.000 0.981 508 Q CA 0.023 55.816 55.803 -0.015 0.000 0.905 508 Q CB 0.781 29.507 28.738 -0.021 0.000 1.186 508 Q HN 0.670 nan 8.270 nan 0.000 0.399 509 L N 4.739 125.956 121.223 -0.010 0.000 2.353 509 L HA 0.387 4.727 4.340 -0.000 0.000 0.270 509 L C -2.442 174.424 176.870 -0.007 0.000 1.003 509 L CA -2.140 52.692 54.840 -0.013 0.000 0.862 509 L CB 2.111 44.162 42.059 -0.012 0.000 1.221 509 L HN 0.535 nan 8.230 nan 0.000 0.430 510 P HA 0.033 nan 4.420 nan 0.000 0.269 510 P C -0.177 177.120 177.300 -0.005 0.000 1.215 510 P CA -0.315 62.779 63.100 -0.009 0.000 0.780 510 P CB 0.652 32.343 31.700 -0.015 0.000 0.898 511 A N 3.729 126.548 122.820 -0.003 0.000 2.573 511 A HA -0.039 4.281 4.320 -0.000 0.000 0.250 511 A C 0.412 177.986 177.584 -0.017 0.000 1.049 511 A CA 0.276 52.311 52.037 -0.002 0.000 0.767 511 A CB -1.011 17.989 19.000 0.000 0.000 0.965 511 A HN 0.632 nan 8.150 nan 0.000 0.514 512 R N 0.251 120.734 120.500 -0.028 0.000 2.873 512 R HA -0.136 4.204 4.340 -0.000 0.000 0.281 512 R C -0.149 176.125 176.300 -0.044 0.000 0.933 512 R CA 0.951 57.011 56.100 -0.067 0.000 0.712 512 R CB -2.044 28.201 30.300 -0.092 0.000 1.780 512 R HN 1.554 nan 8.270 nan 0.000 0.488 513 S N -1.443 114.241 115.700 -0.027 0.000 2.588 513 S HA 0.764 5.234 4.470 -0.000 0.000 0.269 513 S C -0.500 174.103 174.600 0.005 0.000 1.157 513 S CA -0.991 57.204 58.200 -0.007 0.000 0.824 513 S CB 2.875 66.070 63.200 -0.008 0.000 1.126 513 S HN 0.074 nan 8.310 nan 0.000 0.464 514 V N 0.583 120.508 119.914 0.019 0.000 2.680 514 V HA 0.954 5.074 4.120 -0.000 0.000 0.309 514 V C -0.077 176.019 176.094 0.004 0.000 1.052 514 V CA -0.267 62.041 62.300 0.013 0.000 0.908 514 V CB 1.458 33.309 31.823 0.046 0.000 1.001 514 V HN 1.468 nan 8.190 nan 0.000 0.431 515 A N 2.262 125.065 122.820 -0.028 0.000 2.427 515 A HA 0.808 5.128 4.320 -0.000 0.000 0.298 515 A C -0.433 177.119 177.584 -0.054 0.000 1.036 515 A CA -0.504 51.520 52.037 -0.020 0.000 0.701 515 A CB 1.784 20.764 19.000 -0.033 0.000 1.250 515 A HN 0.690 nan 8.150 nan 0.000 0.412 516 T N 2.103 116.649 114.554 -0.014 0.000 2.824 516 T HA 0.607 4.957 4.350 -0.000 0.000 0.280 516 T C -0.524 174.137 174.700 -0.065 0.000 0.995 516 T CA 0.076 62.132 62.100 -0.074 0.000 1.009 516 T CB 0.585 69.386 68.868 -0.113 0.000 0.955 516 T HN 0.394 nan 8.240 nan 0.000 0.452 517 I N 3.183 123.698 120.570 -0.092 0.000 2.420 517 I HA 0.353 4.523 4.170 -0.000 0.000 0.282 517 I C -0.439 175.634 176.117 -0.072 0.000 1.019 517 I CA -0.640 60.611 61.300 -0.082 0.000 1.130 517 I CB 1.594 39.554 38.000 -0.068 0.000 1.262 517 I HN 0.310 nan 8.210 nan 0.000 0.454 518 V N 6.912 126.782 119.914 -0.073 0.000 2.472 518 V HA 0.592 4.712 4.120 -0.000 0.000 0.290 518 V C 0.229 176.328 176.094 0.007 0.000 1.037 518 V CA -0.573 61.709 62.300 -0.029 0.000 0.908 518 V CB 1.823 33.645 31.823 -0.002 0.000 0.985 518 V HN 0.440 nan 8.190 nan 0.000 0.454 519 V N 0.000 119.931 119.914 0.028 0.000 2.409 519 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 519 V CA 0.000 62.318 62.300 0.031 0.000 1.235 519 V CB 0.000 31.838 31.823 0.025 0.000 1.184 519 V HN 0.000 nan 8.190 nan 0.000 0.556