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 2x9p_1_A DATA FIRST_RESID 5 DATA SEQUENCE SHDLPCLNLE PPKMLKLSPL LRALQDRGPI HRVRTPAGDE AWLVTRHAEL DATA SEQUENCE KQLLHDERIG RTHPDPPSAA QYVRSPFLDL LISDADAESG RRQHAETRRL DATA SEQUENCE LTPLFSARRV LEMQPKVEEA ADTLLDAFIA QGPPGDLHGE LTVPFALTVL DATA SEQUENCE CEVIGVPPQR RAELTTLLAG IAKLDDREGA VRAQDDLFGY VAGLVEHKRA DATA SEQUENCE EPGPDIISRL NDGELTEDRV AHLAMGLLFA GLDSVASIMD NGVVLLAAHP DATA SEQUENCE DQRAAALADP DVMARAVEEV LRTARAGGSV LPPRYASEDM EFGGVTIRAG DATA SEQUENCE DLVLFDLGLP NFDERAFTGP EEFDAARTPN PHLTFGHGIW HCIGAPLARL DATA SEQUENCE ELRTMFTKLF TRLPELRPEL PVEQLRLXXX XXXXXFAELR VVW 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.469 174.600 -0.218 0.000 1.055 5 S CA 0.000 58.070 58.200 -0.217 0.000 1.107 5 S CB 0.000 62.939 63.200 -0.434 0.000 0.593 6 H N 1.093 120.152 119.070 -0.018 0.000 2.476 6 H HA 0.140 4.696 4.556 -0.001 0.000 0.292 6 H C -0.279 175.036 175.328 -0.020 0.000 1.019 6 H CA 1.102 57.138 56.048 -0.021 0.000 1.330 6 H CB 0.295 30.036 29.762 -0.034 0.000 1.451 6 H HN 0.444 nan 8.280 nan 0.000 0.535 7 D N 0.793 121.242 120.400 0.081 0.000 2.708 7 D HA -0.167 4.473 4.640 -0.000 0.000 0.236 7 D C -0.198 176.124 176.300 0.036 0.000 1.146 7 D CA 0.339 54.363 54.000 0.041 0.000 0.662 7 D CB -1.763 39.051 40.800 0.022 0.000 1.059 7 D HN 0.320 nan 8.370 nan 0.000 0.428 8 L N -0.018 121.223 121.223 0.029 0.000 2.456 8 L HA 0.212 4.551 4.340 -0.000 0.000 0.272 8 L C -1.356 175.499 176.870 -0.024 0.000 1.189 8 L CA -1.423 53.410 54.840 -0.013 0.000 0.846 8 L CB -0.110 41.910 42.059 -0.066 0.000 1.111 8 L HN -0.145 nan 8.230 nan 0.000 0.475 9 P HA 0.009 nan 4.420 nan 0.000 0.266 9 P C -0.949 176.325 177.300 -0.043 0.000 1.195 9 P CA -0.322 62.754 63.100 -0.040 0.000 0.768 9 P CB 0.430 32.095 31.700 -0.059 0.000 0.838 10 C N 4.016 123.290 119.300 -0.043 0.000 2.264 10 C HA 0.393 4.852 4.460 -0.000 0.000 0.324 10 C C 0.719 175.681 174.990 -0.046 0.000 1.267 10 C CA -0.548 58.439 59.018 -0.051 0.000 1.618 10 C CB -0.932 26.777 27.740 -0.051 0.000 2.278 10 C HN 0.489 nan 8.230 nan 0.000 0.499 11 L N 4.396 125.593 121.223 -0.044 0.000 2.453 11 L HA 0.412 4.752 4.340 -0.000 0.000 0.261 11 L C 0.167 176.994 176.870 -0.070 0.000 1.179 11 L CA 0.199 55.026 54.840 -0.022 0.000 0.813 11 L CB 0.633 42.726 42.059 0.057 0.000 1.110 11 L HN 0.835 nan 8.230 nan 0.000 0.466 12 N N 0.445 119.117 118.700 -0.046 0.000 2.774 12 N HA 0.393 5.133 4.740 -0.000 0.000 0.264 12 N C -0.557 174.926 175.510 -0.044 0.000 1.415 12 N CA -0.911 52.096 53.050 -0.070 0.000 0.815 12 N CB 1.080 39.534 38.487 -0.054 0.000 1.514 12 N HN 0.443 nan 8.380 nan 0.000 0.523 13 L N -0.713 120.476 121.223 -0.057 0.000 2.700 13 L HA 0.304 4.643 4.340 -0.000 0.000 0.234 13 L C -0.039 176.811 176.870 -0.032 0.000 1.156 13 L CA -0.172 54.648 54.840 -0.032 0.000 0.946 13 L CB -0.251 41.778 42.059 -0.051 0.000 1.216 13 L HN 0.457 nan 8.230 nan 0.000 0.493 14 E N 2.897 123.076 120.200 -0.036 0.000 2.465 14 E HA 0.062 4.412 4.350 -0.000 0.000 0.260 14 E C -1.966 174.607 176.600 -0.045 0.000 0.980 14 E CA -1.444 54.932 56.400 -0.040 0.000 0.927 14 E CB 0.067 29.745 29.700 -0.037 0.000 0.934 14 E HN 0.049 nan 8.360 nan 0.000 0.459 15 P HA 0.098 nan 4.420 nan 0.000 0.268 15 P C -2.380 174.878 177.300 -0.070 0.000 1.204 15 P CA -0.962 62.093 63.100 -0.075 0.000 0.768 15 P CB -0.162 31.485 31.700 -0.088 0.000 0.842 16 P HA 0.077 nan 4.420 nan 0.000 0.272 16 P C 0.059 177.310 177.300 -0.081 0.000 1.230 16 P CA -0.169 62.876 63.100 -0.091 0.000 0.788 16 P CB 0.554 32.183 31.700 -0.118 0.000 0.949 17 K N 0.838 121.189 120.400 -0.082 0.000 2.180 17 K HA 0.182 4.502 4.320 -0.000 0.000 0.251 17 K C 0.698 177.257 176.600 -0.069 0.000 1.014 17 K CA -0.571 55.679 56.287 -0.061 0.000 0.913 17 K CB 0.058 32.524 32.500 -0.057 0.000 1.008 17 K HN 0.682 nan 8.250 nan 0.000 0.490 18 M N 2.367 121.954 119.600 -0.022 0.000 2.217 18 M HA 0.183 4.663 4.480 -0.000 0.000 0.352 18 M C -0.291 176.020 176.300 0.018 0.000 1.376 18 M CA 0.491 55.798 55.300 0.012 0.000 1.107 18 M CB -0.608 32.019 32.600 0.045 0.000 1.723 18 M HN 0.695 nan 8.290 nan 0.000 0.461 19 L N 2.754 123.999 121.223 0.038 0.000 4.040 19 L HA -0.269 4.070 4.340 -0.000 0.000 0.410 19 L C -0.407 176.461 176.870 -0.003 0.000 1.187 19 L CA 0.781 55.730 54.840 0.181 0.000 0.956 19 L CB -1.633 40.584 42.059 0.263 0.000 2.022 19 L HN 0.782 nan 8.230 nan 0.000 0.897 20 K N 0.428 120.644 120.400 -0.307 0.000 2.565 20 K HA 0.528 4.848 4.320 -0.000 0.000 0.251 20 K C -0.329 176.059 176.600 -0.353 0.000 0.956 20 K CA -0.810 55.334 56.287 -0.239 0.000 0.809 20 K CB 1.456 33.906 32.500 -0.084 0.000 1.267 20 K HN 0.023 nan 8.250 nan 0.000 0.438 21 L N 2.480 123.507 121.223 -0.327 0.000 2.473 21 L HA 0.139 4.479 4.340 -0.000 0.000 0.268 21 L C 0.899 177.695 176.870 -0.125 0.000 1.215 21 L CA -0.011 54.690 54.840 -0.231 0.000 0.823 21 L CB 0.986 42.974 42.059 -0.119 0.000 1.099 21 L HN 0.771 nan 8.230 nan 0.000 0.483 22 S N 1.364 117.007 115.700 -0.095 0.000 2.589 22 S HA 0.153 4.623 4.470 -0.000 0.000 0.265 22 S C -1.850 172.727 174.600 -0.039 0.000 1.342 22 S CA -1.030 57.134 58.200 -0.061 0.000 1.005 22 S CB 0.859 64.029 63.200 -0.049 0.000 0.909 22 S HN 0.406 nan 8.310 nan 0.000 0.555 23 P HA -0.107 nan 4.420 nan 0.000 0.215 23 P C 1.727 179.015 177.300 -0.020 0.000 1.157 23 P CA 0.621 63.709 63.100 -0.020 0.000 0.874 23 P CB -0.087 31.602 31.700 -0.018 0.000 0.790 24 L N -0.948 120.260 121.223 -0.025 0.000 2.046 24 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 24 L C 2.159 179.012 176.870 -0.029 0.000 1.077 24 L CA 1.831 56.654 54.840 -0.030 0.000 0.747 24 L CB -1.384 40.656 42.059 -0.031 0.000 0.896 24 L HN -0.123 nan 8.230 nan 0.000 0.432 25 L N -0.936 120.275 121.223 -0.020 0.000 2.141 25 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 25 L C 2.741 179.617 176.870 0.010 0.000 1.094 25 L CA 0.974 55.811 54.840 -0.005 0.000 0.763 25 L CB -0.495 41.562 42.059 -0.004 0.000 0.908 25 L HN 0.264 nan 8.230 nan 0.000 0.437 26 R N 0.016 120.520 120.500 0.006 0.000 2.092 26 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 26 R C 2.462 178.777 176.300 0.025 0.000 1.119 26 R CA 1.188 57.304 56.100 0.027 0.000 0.970 26 R CB -0.416 29.897 30.300 0.022 0.000 0.864 26 R HN 0.314 nan 8.270 nan 0.000 0.440 27 A N 1.468 124.289 122.820 0.002 0.000 1.902 27 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 27 A C 2.190 179.759 177.584 -0.024 0.000 1.181 27 A CA 1.139 53.171 52.037 -0.007 0.000 0.623 27 A CB -0.505 18.480 19.000 -0.024 0.000 0.818 27 A HN 0.157 nan 8.150 nan 0.000 0.443 28 L N -1.040 120.145 121.223 -0.064 0.000 2.056 28 L HA -0.225 4.115 4.340 -0.000 0.000 0.207 28 L C 2.889 179.813 176.870 0.090 0.000 1.078 28 L CA 1.788 56.541 54.840 -0.145 0.000 0.749 28 L CB -0.542 41.401 42.059 -0.194 0.000 0.901 28 L HN 0.588 nan 8.230 nan 0.000 0.433 29 Q N 0.118 119.981 119.800 0.105 0.000 2.079 29 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 29 Q C 1.702 177.787 176.000 0.142 0.000 0.974 29 Q CA 1.694 57.587 55.803 0.150 0.000 0.840 29 Q CB 0.130 28.945 28.738 0.128 0.000 0.898 29 Q HN 0.417 nan 8.270 nan 0.000 0.430 30 D N -0.022 120.440 120.400 0.104 0.000 2.117 30 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 30 D C 1.878 178.242 176.300 0.107 0.000 0.987 30 D CA 1.149 55.203 54.000 0.089 0.000 0.829 30 D CB -0.132 40.706 40.800 0.062 0.000 0.961 30 D HN 0.207 nan 8.370 nan 0.000 0.460 31 R N -0.337 120.242 120.500 0.133 0.000 2.073 31 R HA 0.104 4.443 4.340 -0.000 0.000 0.229 31 R C 0.770 177.199 176.300 0.216 0.000 1.120 31 R CA 1.254 57.456 56.100 0.169 0.000 0.967 31 R CB 0.190 30.591 30.300 0.169 0.000 0.862 31 R HN 0.217 nan 8.270 nan 0.000 0.436 32 G N -2.338 106.635 108.800 0.288 0.000 2.451 32 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 32 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 32 G C -2.677 172.263 174.900 0.067 0.000 1.427 32 G CA -0.791 44.370 45.100 0.101 0.000 0.792 32 G HN -0.141 nan 8.290 nan 0.000 0.498 33 P HA 0.171 nan 4.420 nan 0.000 0.227 33 P C 0.470 177.786 177.300 0.027 0.000 1.161 33 P CA 0.701 63.827 63.100 0.043 0.000 0.788 33 P CB 0.996 32.718 31.700 0.037 0.000 0.822 34 I N -0.518 119.952 120.570 -0.167 0.000 2.644 34 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 34 I C -1.425 174.545 176.117 -0.245 0.000 1.180 34 I CA -0.762 60.496 61.300 -0.070 0.000 1.040 34 I CB 1.785 39.816 38.000 0.052 0.000 1.255 34 I HN -0.139 nan 8.210 nan 0.000 0.422 35 H N 4.790 124.027 119.070 0.279 0.000 2.961 35 H HA 0.419 4.975 4.556 -0.000 0.000 0.371 35 H C -1.122 174.351 175.328 0.242 0.000 1.190 35 H CA -1.065 55.143 56.048 0.268 0.000 1.138 35 H CB 2.172 32.014 29.762 0.134 0.000 1.816 35 H HN 0.444 nan 8.280 nan 0.000 0.551 36 R N 1.577 122.176 120.500 0.164 0.000 2.340 36 R HA 0.369 4.709 4.340 -0.000 0.000 0.300 36 R C -0.718 175.507 176.300 -0.126 0.000 1.069 36 R CA -0.333 55.577 56.100 -0.315 0.000 0.984 36 R CB 0.089 30.009 30.300 -0.634 0.000 1.003 36 R HN 0.490 nan 8.270 nan 0.000 0.459 37 V N 1.173 120.991 119.914 -0.159 0.000 3.141 37 V HA 0.726 4.846 4.120 -0.000 0.000 0.312 37 V C -0.954 175.069 176.094 -0.119 0.000 1.157 37 V CA -1.277 60.972 62.300 -0.084 0.000 1.041 37 V CB 2.052 33.864 31.823 -0.017 0.000 1.071 37 V HN 0.750 nan 8.190 nan 0.000 0.441 38 R N 1.452 121.899 120.500 -0.087 0.000 2.393 38 R HA 0.680 5.020 4.340 -0.000 0.000 0.310 38 R C 0.209 176.458 176.300 -0.086 0.000 0.968 38 R CA 0.523 56.567 56.100 -0.093 0.000 0.867 38 R CB 1.419 31.669 30.300 -0.083 0.000 1.124 38 R HN 1.216 nan 8.270 nan 0.000 0.450 39 T N 1.485 115.976 114.554 -0.106 0.000 2.847 39 T HA 0.330 4.680 4.350 -0.000 0.000 0.279 39 T C -1.720 172.811 174.700 -0.282 0.000 0.984 39 T CA -1.698 60.289 62.100 -0.190 0.000 0.988 39 T CB 1.194 69.962 68.868 -0.167 0.000 1.040 39 T HN 0.438 nan 8.240 nan 0.000 0.528 40 P HA 0.004 nan 4.420 nan 0.000 0.219 40 P C 1.287 178.439 177.300 -0.248 0.000 1.146 40 P CA 1.154 64.047 63.100 -0.346 0.000 0.808 40 P CB -0.280 31.151 31.700 -0.449 0.000 0.779 41 A N -1.144 121.525 122.820 -0.252 0.000 2.167 41 A HA 0.375 4.694 4.320 -0.000 0.000 0.214 41 A C 1.746 179.263 177.584 -0.111 0.000 1.151 41 A CA 1.070 53.018 52.037 -0.149 0.000 0.735 41 A CB -1.130 17.798 19.000 -0.119 0.000 0.802 41 A HN 0.263 nan 8.150 nan 0.000 0.467 42 G N -0.818 107.911 108.800 -0.119 0.000 2.159 42 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.227 42 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.227 42 G C -0.441 174.410 174.900 -0.081 0.000 0.986 42 G CA 0.146 45.192 45.100 -0.090 0.000 0.651 42 G HN 0.463 nan 8.290 nan 0.000 0.523 43 D N 0.768 121.118 120.400 -0.084 0.000 2.332 43 D HA 0.490 5.130 4.640 -0.000 0.000 0.252 43 D C 0.596 176.838 176.300 -0.097 0.000 1.050 43 D CA -0.381 53.575 54.000 -0.074 0.000 0.970 43 D CB 0.764 41.536 40.800 -0.047 0.000 1.141 43 D HN 0.432 nan 8.370 nan 0.000 0.485 44 E N -0.178 119.950 120.200 -0.120 0.000 2.366 44 E HA 0.536 4.886 4.350 -0.000 0.000 0.266 44 E C -0.674 175.813 176.600 -0.188 0.000 1.051 44 E CA -0.429 55.855 56.400 -0.193 0.000 0.884 44 E CB 1.221 30.765 29.700 -0.260 0.000 1.006 44 E HN 0.422 nan 8.360 nan 0.000 0.417 45 A N 2.527 125.190 122.820 -0.261 0.000 2.606 45 A HA 0.430 4.749 4.320 -0.000 0.000 0.293 45 A C -2.021 175.351 177.584 -0.353 0.000 1.082 45 A CA -0.850 51.049 52.037 -0.230 0.000 0.685 45 A CB 0.701 19.661 19.000 -0.067 0.000 1.284 45 A HN 0.605 nan 8.150 nan 0.000 0.408 46 W N 0.791 122.056 121.300 -0.059 0.000 2.335 46 W HA 0.544 5.203 4.660 -0.001 0.000 0.306 46 W C -0.126 176.332 176.519 -0.102 0.000 1.216 46 W CA -0.058 57.247 57.345 -0.066 0.000 1.237 46 W CB 1.342 30.744 29.460 -0.096 0.000 1.243 46 W HN 0.549 nan 8.180 nan 0.000 0.493 47 L N 5.435 126.778 121.223 0.199 0.000 2.272 47 L HA 0.576 4.915 4.340 -0.000 0.000 0.289 47 L C -0.663 176.292 176.870 0.140 0.000 1.032 47 L CA -0.580 54.325 54.840 0.108 0.000 0.810 47 L CB 0.925 43.056 42.059 0.120 0.000 1.205 47 L HN 0.174 nan 8.230 nan 0.000 0.422 48 V N 4.294 124.232 119.914 0.041 0.000 2.407 48 V HA 0.320 4.440 4.120 -0.000 0.000 0.278 48 V C 1.068 177.229 176.094 0.112 0.000 1.037 48 V CA 0.248 62.591 62.300 0.072 0.000 0.900 48 V CB 1.107 32.929 31.823 -0.002 0.000 0.983 48 V HN 0.928 nan 8.190 nan 0.000 0.459 49 T N 1.764 116.413 114.554 0.158 0.000 3.054 49 T HA 0.335 4.685 4.350 -0.000 0.000 0.255 49 T C 0.614 175.417 174.700 0.171 0.000 1.035 49 T CA -0.103 62.099 62.100 0.169 0.000 0.941 49 T CB 0.203 69.198 68.868 0.212 0.000 1.026 49 T HN 0.493 nan 8.240 nan 0.000 0.533 50 R N -0.039 120.563 120.500 0.170 0.000 2.750 50 R HA 0.408 4.748 4.340 -0.000 0.000 0.281 50 R C 0.758 177.180 176.300 0.204 0.000 0.972 50 R CA -0.859 55.352 56.100 0.185 0.000 0.912 50 R CB 1.032 31.424 30.300 0.154 0.000 1.187 50 R HN 0.114 nan 8.270 nan 0.000 0.464 51 H N 2.056 121.200 119.070 0.124 0.000 2.290 51 H HA -0.157 4.398 4.556 -0.000 0.000 0.298 51 H C 1.407 176.779 175.328 0.073 0.000 1.087 51 H CA 2.686 58.797 56.048 0.105 0.000 1.291 51 H CB 0.356 30.162 29.762 0.073 0.000 1.369 51 H HN 0.738 nan 8.280 nan 0.000 0.492 52 A N 0.679 123.637 122.820 0.230 0.000 1.902 52 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 52 A C 2.372 180.036 177.584 0.134 0.000 1.181 52 A CA 1.924 54.053 52.037 0.152 0.000 0.623 52 A CB -0.347 18.717 19.000 0.107 0.000 0.818 52 A HN 0.504 nan 8.150 nan 0.000 0.443 53 E N -0.478 119.825 120.200 0.172 0.000 2.112 53 E HA 0.012 4.362 4.350 -0.000 0.000 0.190 53 E C 1.920 178.698 176.600 0.298 0.000 0.979 53 E CA 0.586 57.162 56.400 0.294 0.000 0.814 53 E CB -0.233 29.663 29.700 0.328 0.000 0.762 53 E HN 0.590 nan 8.360 nan 0.000 0.460 54 L N 0.830 122.165 121.223 0.186 0.000 2.027 54 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 54 L C 2.322 179.294 176.870 0.170 0.000 1.074 54 L CA 1.416 56.365 54.840 0.182 0.000 0.745 54 L CB -0.101 42.049 42.059 0.151 0.000 0.898 54 L HN 0.052 nan 8.230 nan 0.000 0.433 55 K N -0.422 120.002 120.400 0.040 0.000 2.074 55 K HA -0.316 4.004 4.320 -0.000 0.000 0.209 55 K C 2.163 178.908 176.600 0.243 0.000 1.048 55 K CA 2.160 58.456 56.287 0.014 0.000 0.926 55 K CB -0.153 32.230 32.500 -0.196 0.000 0.713 55 K HN 0.417 nan 8.250 nan 0.000 0.444 56 Q N 0.311 120.252 119.800 0.235 0.000 2.119 56 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 56 Q C 2.056 178.240 176.000 0.307 0.000 0.972 56 Q CA 1.064 57.038 55.803 0.285 0.000 0.847 56 Q CB 0.012 28.925 28.738 0.292 0.000 0.903 56 Q HN 0.398 nan 8.270 nan 0.000 0.433 57 L N 0.418 121.785 121.223 0.240 0.000 2.141 57 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 57 L C 2.233 179.272 176.870 0.281 0.000 1.094 57 L CA 0.665 55.583 54.840 0.131 0.000 0.763 57 L CB -0.184 41.880 42.059 0.009 0.000 0.908 57 L HN 0.372 nan 8.230 nan 0.000 0.437 58 L N -1.147 120.244 121.223 0.280 0.000 2.353 58 L HA -0.231 4.109 4.340 -0.000 0.000 0.220 58 L C 2.043 178.947 176.870 0.056 0.000 1.133 58 L CA 0.759 55.703 54.840 0.173 0.000 0.798 58 L CB -0.500 41.635 42.059 0.127 0.000 0.922 58 L HN 0.385 nan 8.230 nan 0.000 0.445 59 H N -1.754 117.391 119.070 0.126 0.000 2.551 59 H HA 0.101 4.656 4.556 -0.001 0.000 0.271 59 H C 0.105 175.457 175.328 0.039 0.000 0.984 59 H CA -0.060 56.017 56.048 0.050 0.000 1.164 59 H CB 0.506 30.311 29.762 0.071 0.000 1.437 59 H HN 0.170 nan 8.280 nan 0.000 0.550 60 D N 1.634 122.144 120.400 0.183 0.000 2.316 60 D HA -0.002 4.638 4.640 -0.000 0.000 0.245 60 D C 0.804 177.174 176.300 0.115 0.000 1.171 60 D CA -0.010 54.075 54.000 0.142 0.000 0.856 60 D CB 0.976 41.849 40.800 0.121 0.000 1.090 60 D HN 0.308 nan 8.370 nan 0.000 0.476 61 E N 2.546 122.789 120.200 0.073 0.000 2.409 61 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 61 E C 1.151 177.806 176.600 0.093 0.000 1.024 61 E CA 0.422 56.853 56.400 0.053 0.000 0.861 61 E CB 0.329 30.043 29.700 0.023 0.000 0.788 61 E HN 0.408 nan 8.360 nan 0.000 0.521 62 R N 0.331 120.890 120.500 0.099 0.000 2.323 62 R HA 0.133 4.473 4.340 -0.000 0.000 0.198 62 R C 0.549 176.932 176.300 0.138 0.000 0.988 62 R CA 0.349 56.509 56.100 0.100 0.000 1.041 62 R CB 0.111 30.455 30.300 0.073 0.000 0.926 62 R HN 0.067 nan 8.270 nan 0.000 0.476 63 I N -0.022 120.669 120.570 0.202 0.000 2.433 63 I HA 0.447 4.616 4.170 -0.000 0.000 0.292 63 I C 0.477 176.840 176.117 0.411 0.000 1.001 63 I CA -0.559 60.907 61.300 0.275 0.000 1.119 63 I CB 2.089 40.272 38.000 0.304 0.000 1.289 63 I HN 0.054 nan 8.210 nan 0.000 0.438 64 G N 4.440 113.460 108.800 0.368 0.000 2.664 64 G HA2 0.380 4.340 3.960 -0.000 0.000 0.303 64 G HA3 0.380 4.340 3.960 -0.000 0.000 0.303 64 G C -0.268 174.807 174.900 0.293 0.000 1.243 64 G CA -0.625 44.748 45.100 0.454 0.000 0.826 64 G HN 0.492 nan 8.290 nan 0.000 0.498 65 R N -0.093 120.564 120.500 0.261 0.000 2.427 65 R HA 0.219 4.559 4.340 -0.000 0.000 0.262 65 R C 0.432 176.861 176.300 0.216 0.000 0.943 65 R CA 0.386 56.606 56.100 0.200 0.000 1.081 65 R CB 0.489 30.854 30.300 0.108 0.000 1.166 65 R HN 0.558 nan 8.270 nan 0.000 0.534 66 T N -1.769 112.908 114.554 0.205 0.000 2.925 66 T HA 0.301 4.651 4.350 -0.000 0.000 0.285 66 T C -0.551 174.212 174.700 0.105 0.000 1.021 66 T CA -0.626 61.549 62.100 0.125 0.000 1.042 66 T CB 2.359 71.276 68.868 0.082 0.000 1.037 66 T HN 0.073 nan 8.240 nan 0.000 0.481 67 H N 2.289 121.291 119.070 -0.114 0.000 2.947 67 H HA 0.317 4.873 4.556 -0.000 0.000 0.354 67 H C -2.347 172.896 175.328 -0.143 0.000 1.085 67 H CA -1.982 53.925 56.048 -0.235 0.000 1.253 67 H CB 2.833 32.252 29.762 -0.573 0.000 1.757 67 H HN 0.440 nan 8.280 nan 0.000 0.523 68 P HA -0.058 nan 4.420 nan 0.000 0.225 68 P C 0.088 177.409 177.300 0.035 0.000 1.148 68 P CA 1.008 64.044 63.100 -0.106 0.000 0.779 68 P CB 0.689 32.288 31.700 -0.170 0.000 0.780 69 D N -1.175 119.387 120.400 0.270 0.000 2.846 69 D HA 0.193 4.833 4.640 -0.000 0.000 0.279 69 D C -2.061 174.279 176.300 0.067 0.000 1.222 69 D CA -2.054 52.048 54.000 0.170 0.000 0.769 69 D CB 0.346 41.221 40.800 0.125 0.000 1.299 69 D HN -0.155 nan 8.370 nan 0.000 0.537 70 P HA -0.089 nan 4.420 nan 0.000 0.217 70 P C -1.558 175.620 177.300 -0.204 0.000 1.148 70 P CA 1.005 63.983 63.100 -0.204 0.000 0.834 70 P CB -0.285 31.358 31.700 -0.095 0.000 0.783 71 P HA -0.068 nan 4.420 nan 0.000 0.221 71 P C 1.179 178.418 177.300 -0.100 0.000 1.150 71 P CA 1.567 64.615 63.100 -0.088 0.000 0.800 71 P CB -0.387 31.283 31.700 -0.050 0.000 0.787 72 S N -2.270 113.361 115.700 -0.115 0.000 2.572 72 S HA 0.433 4.903 4.470 -0.000 0.000 0.228 72 S C 0.857 175.348 174.600 -0.182 0.000 0.963 72 S CA -0.527 57.614 58.200 -0.099 0.000 0.939 72 S CB -0.572 62.608 63.200 -0.034 0.000 0.804 72 S HN 0.039 nan 8.310 nan 0.000 0.480 73 A N 1.718 124.289 122.820 -0.414 0.000 2.462 73 A HA 0.685 5.005 4.320 -0.000 0.000 0.243 73 A C 0.813 178.303 177.584 -0.156 0.000 1.076 73 A CA -0.029 51.634 52.037 -0.622 0.000 0.773 73 A CB -0.333 17.989 19.000 -1.129 0.000 1.010 73 A HN 0.915 nan 8.150 nan 0.000 0.493 74 A N 2.337 125.172 122.820 0.025 0.000 2.483 74 A HA 0.470 4.790 4.320 -0.000 0.000 0.238 74 A C 0.360 178.020 177.584 0.126 0.000 1.070 74 A CA 0.244 52.326 52.037 0.075 0.000 0.770 74 A CB 0.054 19.105 19.000 0.085 0.000 1.008 74 A HN 0.874 nan 8.150 nan 0.000 0.497 75 Q N -0.509 119.323 119.800 0.053 0.000 2.413 75 Q HA 0.351 4.690 4.340 -0.000 0.000 0.276 75 Q C -0.254 175.778 176.000 0.054 0.000 1.099 75 Q CA -0.678 55.160 55.803 0.057 0.000 0.814 75 Q CB 1.657 30.412 28.738 0.027 0.000 1.379 75 Q HN 0.807 nan 8.270 nan 0.000 0.436 76 Y N 1.449 121.717 120.300 -0.054 0.000 2.130 76 Y HA -0.001 4.548 4.550 -0.001 0.000 0.287 76 Y C 0.578 176.451 175.900 -0.044 0.000 1.124 76 Y CA 1.104 59.170 58.100 -0.058 0.000 1.118 76 Y CB 0.623 39.043 38.460 -0.066 0.000 0.994 76 Y HN 0.409 nan 8.280 nan 0.000 0.497 77 V N -2.298 117.635 119.914 0.032 0.000 2.914 77 V HA 0.575 4.695 4.120 -0.000 0.000 0.314 77 V C -0.376 175.715 176.094 -0.005 0.000 1.084 77 V CA -1.397 60.874 62.300 -0.047 0.000 0.963 77 V CB 1.522 33.347 31.823 0.003 0.000 1.025 77 V HN -0.120 nan 8.190 nan 0.000 0.432 78 R N 1.599 122.084 120.500 -0.025 0.000 2.401 78 R HA 0.662 5.002 4.340 -0.000 0.000 0.299 78 R C 0.355 176.662 176.300 0.011 0.000 1.064 78 R CA 0.425 56.519 56.100 -0.010 0.000 1.000 78 R CB 0.441 30.729 30.300 -0.021 0.000 0.973 78 R HN 1.339 nan 8.270 nan 0.000 0.438 79 S N 3.353 119.068 115.700 0.024 0.000 2.614 79 S HA 0.341 4.811 4.470 -0.000 0.000 0.259 79 S C -2.277 172.352 174.600 0.048 0.000 1.118 79 S CA -1.255 56.977 58.200 0.052 0.000 1.065 79 S CB 1.830 65.082 63.200 0.088 0.000 1.121 79 S HN 0.378 nan 8.310 nan 0.000 0.458 80 P HA -0.082 nan 4.420 nan 0.000 0.216 80 P C 1.195 178.518 177.300 0.038 0.000 1.150 80 P CA 0.875 63.994 63.100 0.033 0.000 0.843 80 P CB -0.043 31.681 31.700 0.040 0.000 0.787 81 F N 0.263 120.181 119.950 -0.053 0.000 2.095 81 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 81 F C 1.903 177.650 175.800 -0.087 0.000 1.104 81 F CA 1.568 59.516 58.000 -0.087 0.000 1.232 81 F CB -0.864 38.066 39.000 -0.117 0.000 0.987 81 F HN -0.253 nan 8.300 nan 0.000 0.475 82 L N -0.120 121.035 121.223 -0.113 0.000 2.201 82 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 82 L C 1.967 178.728 176.870 -0.182 0.000 1.105 82 L CA 0.942 55.664 54.840 -0.195 0.000 0.775 82 L CB -0.916 41.141 42.059 -0.004 0.000 0.913 82 L HN 0.072 nan 8.230 nan 0.000 0.440 83 D N 0.689 121.018 120.400 -0.118 0.000 2.158 83 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 83 D C 2.261 178.493 176.300 -0.113 0.000 0.995 83 D CA 1.271 55.220 54.000 -0.085 0.000 0.846 83 D CB -0.179 40.587 40.800 -0.058 0.000 0.941 83 D HN 0.308 nan 8.370 nan 0.000 0.456 84 L N -0.059 121.055 121.223 -0.181 0.000 2.362 84 L HA -0.063 4.277 4.340 -0.000 0.000 0.219 84 L C 2.192 178.962 176.870 -0.165 0.000 1.134 84 L CA 0.246 54.982 54.840 -0.173 0.000 0.807 84 L CB -0.221 41.705 42.059 -0.221 0.000 0.927 84 L HN 0.042 nan 8.230 nan 0.000 0.447 85 L N -0.281 120.828 121.223 -0.189 0.000 2.395 85 L HA 0.006 4.346 4.340 -0.000 0.000 0.218 85 L C 0.932 177.774 176.870 -0.047 0.000 1.130 85 L CA 0.355 55.119 54.840 -0.126 0.000 0.826 85 L CB 0.060 42.031 42.059 -0.146 0.000 0.941 85 L HN 0.175 nan 8.230 nan 0.000 0.451 86 I N 0.087 120.640 120.570 -0.028 0.000 2.278 86 I HA -0.008 4.162 4.170 -0.000 0.000 0.296 86 I C 0.848 176.970 176.117 0.008 0.000 1.121 86 I CA -0.036 61.280 61.300 0.028 0.000 1.267 86 I CB 0.700 38.724 38.000 0.040 0.000 1.447 86 I HN -0.024 nan 8.210 nan 0.000 0.509 87 S N 3.628 119.344 115.700 0.026 0.000 2.552 87 S HA -0.084 4.385 4.470 -0.000 0.000 0.289 87 S C 1.084 175.696 174.600 0.019 0.000 1.304 87 S CA -0.197 58.014 58.200 0.019 0.000 1.063 87 S CB 0.490 63.712 63.200 0.036 0.000 0.848 87 S HN 0.630 nan 8.310 nan 0.000 0.499 88 D N 2.918 123.321 120.400 0.006 0.000 2.323 88 D HA 0.195 4.835 4.640 -0.000 0.000 0.209 88 D C 0.841 177.146 176.300 0.008 0.000 0.973 88 D CA 0.492 54.495 54.000 0.006 0.000 0.874 88 D CB -0.214 40.584 40.800 -0.003 0.000 0.930 88 D HN 0.699 nan 8.370 nan 0.000 0.521 89 A N 0.941 123.769 122.820 0.013 0.000 2.547 89 A HA 0.126 4.446 4.320 -0.000 0.000 0.233 89 A C 0.211 177.804 177.584 0.016 0.000 1.067 89 A CA 0.143 52.189 52.037 0.015 0.000 0.763 89 A CB -0.093 18.921 19.000 0.022 0.000 1.007 89 A HN 0.406 nan 8.150 nan 0.000 0.506 90 D N 0.614 121.021 120.400 0.012 0.000 2.390 90 D HA 0.321 4.960 4.640 -0.000 0.000 0.236 90 D C 1.087 177.402 176.300 0.025 0.000 1.189 90 D CA 0.259 54.265 54.000 0.011 0.000 0.887 90 D CB 0.688 41.493 40.800 0.008 0.000 1.198 90 D HN 0.560 nan 8.370 nan 0.000 0.444 91 A N 1.165 124.001 122.820 0.026 0.000 1.908 91 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 91 A C 2.060 179.674 177.584 0.049 0.000 1.181 91 A CA 2.018 54.083 52.037 0.046 0.000 0.627 91 A CB -1.082 17.945 19.000 0.045 0.000 0.818 91 A HN 0.777 nan 8.150 nan 0.000 0.445 92 E N 0.050 120.270 120.200 0.034 0.000 2.077 92 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 92 E C 2.190 178.809 176.600 0.032 0.000 0.989 92 E CA 1.580 57.998 56.400 0.030 0.000 0.800 92 E CB -0.494 29.218 29.700 0.020 0.000 0.746 92 E HN 0.432 nan 8.360 nan 0.000 0.452 93 S N -0.759 114.960 115.700 0.031 0.000 2.359 93 S HA -0.165 4.304 4.470 -0.000 0.000 0.223 93 S C 1.899 176.527 174.600 0.047 0.000 1.039 93 S CA 1.431 59.650 58.200 0.032 0.000 1.042 93 S CB -0.974 62.243 63.200 0.027 0.000 0.915 93 S HN 0.579 nan 8.310 nan 0.000 0.439 94 G N 1.387 110.222 108.800 0.059 0.000 2.476 94 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 94 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 94 G C 1.493 176.455 174.900 0.104 0.000 1.164 94 G CA 0.872 46.023 45.100 0.086 0.000 0.768 94 G HN 0.481 nan 8.290 nan 0.000 0.560 95 R N -0.125 120.426 120.500 0.085 0.000 2.073 95 R HA 0.011 4.351 4.340 -0.000 0.000 0.234 95 R C 2.848 179.176 176.300 0.046 0.000 1.134 95 R CA 1.246 57.389 56.100 0.072 0.000 0.952 95 R CB -0.304 30.018 30.300 0.037 0.000 0.850 95 R HN 0.278 nan 8.270 nan 0.000 0.433 96 R N -0.001 120.519 120.500 0.033 0.000 2.081 96 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 96 R C 2.600 178.915 176.300 0.026 0.000 1.131 96 R CA 1.503 57.612 56.100 0.015 0.000 0.960 96 R CB -0.246 30.062 30.300 0.014 0.000 0.856 96 R HN 0.111 nan 8.270 nan 0.000 0.436 97 Q N -0.541 119.291 119.800 0.054 0.000 2.016 97 Q HA -0.188 4.151 4.340 -0.000 0.000 0.200 97 Q C 2.041 178.103 176.000 0.103 0.000 0.978 97 Q CA 1.765 57.608 55.803 0.067 0.000 0.833 97 Q CB -0.536 28.245 28.738 0.070 0.000 0.895 97 Q HN 0.636 nan 8.270 nan 0.000 0.427 98 H N -0.869 118.201 119.070 0.001 0.000 2.289 98 H HA -0.179 4.377 4.556 -0.000 0.000 0.296 98 H C 2.098 177.391 175.328 -0.058 0.000 1.091 98 H CA 1.519 57.553 56.048 -0.024 0.000 1.274 98 H CB -0.155 29.568 29.762 -0.065 0.000 1.364 98 H HN 0.454 nan 8.280 nan 0.000 0.490 99 A N 0.542 123.253 122.820 -0.182 0.000 1.940 99 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 99 A C 2.250 179.754 177.584 -0.132 0.000 1.176 99 A CA 1.988 53.883 52.037 -0.235 0.000 0.631 99 A CB -0.497 18.413 19.000 -0.150 0.000 0.814 99 A HN 0.608 nan 8.150 nan 0.000 0.446 100 E N -0.460 119.707 120.200 -0.056 0.000 2.072 100 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 100 E C 1.974 178.571 176.600 -0.005 0.000 0.982 100 E CA 1.858 58.245 56.400 -0.022 0.000 0.803 100 E CB -0.622 29.081 29.700 0.005 0.000 0.755 100 E HN 0.464 nan 8.360 nan 0.000 0.453 101 T N 0.769 115.334 114.554 0.018 0.000 2.684 101 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 101 T C 1.806 176.517 174.700 0.017 0.000 1.036 101 T CA 1.701 63.831 62.100 0.049 0.000 1.148 101 T CB -0.240 68.694 68.868 0.110 0.000 0.863 101 T HN 0.212 nan 8.240 nan 0.000 0.436 102 R N 0.567 121.033 120.500 -0.056 0.000 2.083 102 R HA -0.015 4.324 4.340 -0.000 0.000 0.237 102 R C 2.701 178.973 176.300 -0.047 0.000 1.137 102 R CA 1.213 57.264 56.100 -0.082 0.000 0.951 102 R CB -0.307 29.867 30.300 -0.209 0.000 0.851 102 R HN 0.281 nan 8.270 nan 0.000 0.434 103 R N 1.035 121.502 120.500 -0.055 0.000 2.117 103 R HA -0.127 4.213 4.340 -0.000 0.000 0.243 103 R C 2.144 178.443 176.300 -0.002 0.000 1.143 103 R CA 1.350 57.432 56.100 -0.030 0.000 0.968 103 R CB -0.161 30.118 30.300 -0.035 0.000 0.863 103 R HN 0.228 nan 8.270 nan 0.000 0.444 104 L N -0.039 121.191 121.223 0.011 0.000 2.179 104 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 104 L C 2.130 179.030 176.870 0.049 0.000 1.096 104 L CA 0.660 55.516 54.840 0.026 0.000 0.779 104 L CB -0.069 42.010 42.059 0.034 0.000 0.922 104 L HN 0.245 nan 8.230 nan 0.000 0.443 105 L N -1.486 119.780 121.223 0.072 0.000 2.253 105 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 105 L C 2.519 179.506 176.870 0.195 0.000 1.078 105 L CA 0.610 55.535 54.840 0.142 0.000 0.805 105 L CB -0.590 41.558 42.059 0.148 0.000 0.963 105 L HN 0.146 nan 8.230 nan 0.000 0.459 106 T N 0.754 115.378 114.554 0.116 0.000 2.665 106 T HA -0.117 4.232 4.350 -0.000 0.000 0.268 106 T C -0.548 174.225 174.700 0.121 0.000 1.035 106 T CA 1.573 63.743 62.100 0.116 0.000 1.151 106 T CB -1.084 67.807 68.868 0.038 0.000 0.862 106 T HN 0.216 nan 8.240 nan 0.000 0.438 107 P HA 0.035 nan 4.420 nan 0.000 0.221 107 P C 1.260 178.554 177.300 -0.010 0.000 1.145 107 P CA 0.789 63.902 63.100 0.021 0.000 0.795 107 P CB -0.294 31.405 31.700 -0.001 0.000 0.775 108 L N -3.178 118.036 121.223 -0.015 0.000 2.376 108 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 108 L C 1.049 177.641 176.870 -0.463 0.000 1.133 108 L CA 0.970 55.675 54.840 -0.225 0.000 0.816 108 L CB -0.542 41.355 42.059 -0.270 0.000 0.933 108 L HN -0.073 nan 8.230 nan 0.000 0.449 109 F N -0.814 119.119 119.950 -0.027 0.000 2.805 109 F HA 0.155 4.682 4.527 -0.000 0.000 0.317 109 F C 1.424 177.206 175.800 -0.030 0.000 1.146 109 F CA -0.784 57.197 58.000 -0.032 0.000 1.265 109 F CB 0.044 39.020 39.000 -0.039 0.000 0.992 109 F HN -0.093 nan 8.300 nan 0.000 0.511 110 S N 0.243 115.977 115.700 0.056 0.000 2.572 110 S HA 0.246 4.716 4.470 -0.000 0.000 0.267 110 S C 1.664 176.278 174.600 0.024 0.000 1.361 110 S CA -0.095 58.124 58.200 0.031 0.000 1.009 110 S CB 1.123 64.322 63.200 -0.001 0.000 0.888 110 S HN 0.322 nan 8.310 nan 0.000 0.553 111 A N 1.591 124.422 122.820 0.019 0.000 1.873 111 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 111 A C 2.451 180.038 177.584 0.004 0.000 1.193 111 A CA 2.291 54.337 52.037 0.015 0.000 0.629 111 A CB -1.372 17.635 19.000 0.011 0.000 0.826 111 A HN 0.988 nan 8.150 nan 0.000 0.447 112 R N -0.389 120.107 120.500 -0.006 0.000 2.081 112 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 112 R C 2.358 178.641 176.300 -0.028 0.000 1.131 112 R CA 1.924 58.015 56.100 -0.015 0.000 0.960 112 R CB -1.028 29.261 30.300 -0.018 0.000 0.856 112 R HN 0.715 nan 8.270 nan 0.000 0.436 113 R N -0.452 120.022 120.500 -0.043 0.000 2.092 113 R HA 0.064 4.403 4.340 -0.000 0.000 0.231 113 R C 2.460 178.714 176.300 -0.075 0.000 1.119 113 R CA 1.623 57.675 56.100 -0.080 0.000 0.970 113 R CB -0.375 29.847 30.300 -0.130 0.000 0.864 113 R HN 0.264 nan 8.270 nan 0.000 0.440 114 V N 0.626 120.519 119.914 -0.034 0.000 2.453 114 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 114 V C 1.962 178.056 176.094 0.001 0.000 1.048 114 V CA 1.087 63.387 62.300 0.000 0.000 1.049 114 V CB -0.321 31.536 31.823 0.057 0.000 0.672 114 V HN 0.200 nan 8.190 nan 0.000 0.457 115 L N 0.439 121.662 121.223 -0.001 0.000 2.042 115 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 115 L C 2.526 179.392 176.870 -0.007 0.000 1.076 115 L CA 2.240 57.081 54.840 0.002 0.000 0.749 115 L CB -0.834 41.225 42.059 -0.001 0.000 0.893 115 L HN 0.517 nan 8.230 nan 0.000 0.432 116 E N -1.196 118.991 120.200 -0.022 0.000 2.204 116 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 116 E C 2.097 178.680 176.600 -0.029 0.000 0.989 116 E CA 0.816 57.199 56.400 -0.028 0.000 0.824 116 E CB -0.022 29.652 29.700 -0.042 0.000 0.756 116 E HN 0.503 nan 8.360 nan 0.000 0.477 117 M N 0.286 119.867 119.600 -0.032 0.000 2.349 117 M HA -0.094 4.385 4.480 -0.000 0.000 0.266 117 M C 2.410 178.709 176.300 -0.001 0.000 1.076 117 M CA 1.070 56.354 55.300 -0.027 0.000 1.126 117 M CB -0.058 32.523 32.600 -0.031 0.000 1.392 117 M HN 0.099 nan 8.290 nan 0.000 0.440 118 Q N 1.141 120.947 119.800 0.010 0.000 2.112 118 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 118 Q C -0.877 175.142 176.000 0.031 0.000 0.987 118 Q CA 1.881 57.700 55.803 0.027 0.000 0.858 118 Q CB -0.783 27.972 28.738 0.028 0.000 0.905 118 Q HN 0.278 nan 8.270 nan 0.000 0.420 119 P HA -0.116 nan 4.420 nan 0.000 0.220 119 P C 0.377 177.695 177.300 0.030 0.000 1.148 119 P CA 1.376 64.490 63.100 0.023 0.000 0.803 119 P CB 0.049 31.757 31.700 0.012 0.000 0.782 120 K N -0.702 119.712 120.400 0.024 0.000 2.103 120 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 120 K C 1.952 178.590 176.600 0.062 0.000 1.052 120 K CA 0.856 57.161 56.287 0.030 0.000 0.945 120 K CB -0.991 31.514 32.500 0.008 0.000 0.722 120 K HN -0.059 nan 8.250 nan 0.000 0.443 121 V N 1.620 121.575 119.914 0.068 0.000 2.295 121 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 121 V C 2.119 178.338 176.094 0.208 0.000 1.049 121 V CA 1.699 64.083 62.300 0.141 0.000 1.024 121 V CB -0.362 31.526 31.823 0.110 0.000 0.648 121 V HN 0.302 nan 8.190 nan 0.000 0.447 122 E N 0.101 120.369 120.200 0.113 0.000 2.038 122 E HA -0.283 4.066 4.350 -0.000 0.000 0.195 122 E C 2.199 178.832 176.600 0.055 0.000 1.000 122 E CA 1.778 58.220 56.400 0.069 0.000 0.803 122 E CB -0.360 29.364 29.700 0.040 0.000 0.750 122 E HN 0.789 nan 8.360 nan 0.000 0.448 123 E N 0.670 120.904 120.200 0.056 0.000 2.070 123 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 123 E C 2.006 178.644 176.600 0.063 0.000 1.004 123 E CA 1.358 57.785 56.400 0.045 0.000 0.805 123 E CB -0.093 29.630 29.700 0.038 0.000 0.744 123 E HN 0.180 nan 8.360 nan 0.000 0.451 124 A N 1.001 123.894 122.820 0.123 0.000 1.933 124 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 124 A C 2.383 180.059 177.584 0.153 0.000 1.175 124 A CA 1.852 53.996 52.037 0.178 0.000 0.628 124 A CB -0.750 18.404 19.000 0.255 0.000 0.814 124 A HN 0.451 nan 8.150 nan 0.000 0.444 125 A N -0.018 122.843 122.820 0.069 0.000 1.898 125 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 125 A C 1.795 179.257 177.584 -0.203 0.000 1.181 125 A CA 1.728 53.553 52.037 -0.355 0.000 0.620 125 A CB -0.542 18.134 19.000 -0.542 0.000 0.819 125 A HN 0.444 nan 8.150 nan 0.000 0.442 126 D N -0.285 120.056 120.400 -0.099 0.000 2.092 126 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 126 D C 2.038 178.311 176.300 -0.045 0.000 0.994 126 D CA 1.994 55.953 54.000 -0.068 0.000 0.828 126 D CB -0.808 39.972 40.800 -0.034 0.000 0.963 126 D HN 0.381 nan 8.370 nan 0.000 0.450 127 T N 1.049 115.594 114.554 -0.015 0.000 2.684 127 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 127 T C 2.219 176.921 174.700 0.002 0.000 1.036 127 T CA 0.719 62.821 62.100 0.004 0.000 1.148 127 T CB -0.282 68.601 68.868 0.024 0.000 0.863 127 T HN 0.100 nan 8.240 nan 0.000 0.436 128 L N 0.036 121.252 121.223 -0.011 0.000 2.179 128 L HA 0.067 4.406 4.340 -0.000 0.000 0.208 128 L C 2.313 179.172 176.870 -0.019 0.000 1.096 128 L CA 0.335 55.172 54.840 -0.004 0.000 0.779 128 L CB -0.325 41.731 42.059 -0.004 0.000 0.922 128 L HN 0.193 nan 8.230 nan 0.000 0.443 129 L N -0.078 121.091 121.223 -0.091 0.000 2.093 129 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 129 L C 2.012 178.877 176.870 -0.009 0.000 1.085 129 L CA 1.798 56.586 54.840 -0.086 0.000 0.755 129 L CB -0.738 41.216 42.059 -0.176 0.000 0.904 129 L HN 0.199 nan 8.230 nan 0.000 0.435 130 D N -0.141 120.249 120.400 -0.017 0.000 2.104 130 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 130 D C 2.170 178.488 176.300 0.031 0.000 0.994 130 D CA 1.726 55.726 54.000 0.000 0.000 0.830 130 D CB -0.185 40.614 40.800 -0.001 0.000 0.959 130 D HN 0.460 nan 8.370 nan 0.000 0.452 131 A N 0.105 122.956 122.820 0.052 0.000 1.898 131 A HA -0.134 4.185 4.320 -0.000 0.000 0.216 131 A C 2.130 179.784 177.584 0.116 0.000 1.181 131 A CA 0.938 53.019 52.037 0.072 0.000 0.620 131 A CB -0.946 18.096 19.000 0.071 0.000 0.819 131 A HN 0.259 nan 8.150 nan 0.000 0.442 132 F N 0.664 120.601 119.950 -0.022 0.000 2.134 132 F HA -0.120 4.406 4.527 -0.001 0.000 0.299 132 F C 1.917 177.743 175.800 0.043 0.000 1.097 132 F CA 1.641 59.640 58.000 -0.002 0.000 1.264 132 F CB -0.156 38.803 39.000 -0.068 0.000 1.001 132 F HN 0.171 nan 8.300 nan 0.000 0.479 133 I N 0.131 120.717 120.570 0.026 0.000 2.315 133 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 133 I C 2.642 178.809 176.117 0.083 0.000 1.117 133 I CA 1.075 62.361 61.300 -0.024 0.000 1.404 133 I CB -0.876 37.076 38.000 -0.080 0.000 1.071 133 I HN 0.234 nan 8.210 nan 0.000 0.419 134 A N 0.024 122.870 122.820 0.042 0.000 1.972 134 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 134 A C 2.172 179.768 177.584 0.020 0.000 1.169 134 A CA 1.257 53.316 52.037 0.036 0.000 0.635 134 A CB -0.349 18.667 19.000 0.026 0.000 0.810 134 A HN 0.365 nan 8.150 nan 0.000 0.446 135 Q N -0.717 119.081 119.800 -0.004 0.000 2.436 135 Q HA 0.167 4.507 4.340 -0.000 0.000 0.209 135 Q C 1.170 177.131 176.000 -0.064 0.000 0.965 135 Q CA 0.712 56.492 55.803 -0.038 0.000 0.910 135 Q CB -0.872 27.830 28.738 -0.059 0.000 0.980 135 Q HN 0.864 nan 8.270 nan 0.000 0.491 136 G N 2.151 110.948 108.800 -0.005 0.000 2.880 136 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.617 136 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.617 136 G C -2.629 172.038 174.900 -0.389 0.000 1.493 136 G CA -0.456 44.598 45.100 -0.076 0.000 0.916 136 G HN 0.115 nan 8.290 nan 0.000 0.553 137 P HA 0.440 nan 4.420 nan 0.000 0.278 137 P C -2.211 174.777 177.300 -0.521 0.000 1.258 137 P CA -1.170 61.273 63.100 -1.095 0.000 0.811 137 P CB 0.007 30.772 31.700 -1.559 0.000 1.063 138 P HA 0.384 nan 4.420 nan 0.000 0.272 138 P C -0.032 177.145 177.300 -0.206 0.000 1.223 138 P CA 0.123 63.046 63.100 -0.295 0.000 0.784 138 P CB 0.258 31.871 31.700 -0.145 0.000 0.923 139 G N -0.198 108.580 108.800 -0.037 0.000 2.642 139 G HA2 0.410 4.370 3.960 -0.000 0.000 0.293 139 G HA3 0.410 4.370 3.960 -0.000 0.000 0.293 139 G C -1.593 173.502 174.900 0.326 0.000 1.341 139 G CA -0.420 44.711 45.100 0.052 0.000 0.916 139 G HN 0.439 nan 8.290 nan 0.000 0.474 140 D N 0.820 121.443 120.400 0.371 0.000 2.441 140 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 140 D C 1.485 178.015 176.300 0.382 0.000 1.156 140 D CA -0.565 53.623 54.000 0.313 0.000 0.896 140 D CB 1.208 42.137 40.800 0.215 0.000 1.028 140 D HN 0.152 nan 8.370 nan 0.000 0.509 141 L N 4.311 125.684 121.223 0.250 0.000 2.127 141 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 141 L C 1.815 178.632 176.870 -0.088 0.000 1.089 141 L CA 1.683 56.448 54.840 -0.125 0.000 0.757 141 L CB -0.319 41.677 42.059 -0.105 0.000 0.899 141 L HN 0.593 nan 8.230 nan 0.000 0.434 142 H N -1.110 117.942 119.070 -0.029 0.000 2.256 142 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 142 H C 2.024 177.367 175.328 0.025 0.000 1.062 142 H CA 1.982 58.034 56.048 0.007 0.000 1.283 142 H CB -0.581 29.212 29.762 0.052 0.000 1.379 142 H HN 0.288 nan 8.280 nan 0.000 0.493 143 G N -0.375 108.495 108.800 0.118 0.000 2.421 143 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.217 143 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.217 143 G C 1.209 176.133 174.900 0.040 0.000 1.143 143 G CA 0.626 45.766 45.100 0.067 0.000 0.784 143 G HN 0.409 nan 8.290 nan 0.000 0.541 144 E N -0.906 119.350 120.200 0.093 0.000 2.476 144 E HA 0.226 4.576 4.350 -0.000 0.000 0.199 144 E C 1.516 178.129 176.600 0.021 0.000 1.021 144 E CA 0.004 56.489 56.400 0.142 0.000 0.907 144 E CB 0.919 30.841 29.700 0.369 0.000 0.974 144 E HN 0.445 nan 8.360 nan 0.000 0.489 145 L N -1.177 119.941 121.223 -0.175 0.000 2.603 145 L HA 0.180 4.520 4.340 -0.000 0.000 0.189 145 L C 1.915 178.694 176.870 -0.151 0.000 1.082 145 L CA 0.935 55.603 54.840 -0.287 0.000 0.921 145 L CB -0.133 41.475 42.059 -0.751 0.000 1.694 145 L HN -0.192 nan 8.230 nan 0.000 0.491 146 T N -0.558 113.896 114.554 -0.168 0.000 2.777 146 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 146 T C 1.771 176.442 174.700 -0.048 0.000 1.040 146 T CA 1.838 63.906 62.100 -0.053 0.000 1.141 146 T CB -0.071 68.762 68.868 -0.058 0.000 0.868 146 T HN 0.117 nan 8.240 nan 0.000 0.444 147 V N 2.423 122.226 119.914 -0.185 0.000 2.270 147 V HA -0.088 4.031 4.120 -0.000 0.000 0.245 147 V C -0.571 175.484 176.094 -0.065 0.000 1.043 147 V CA 1.641 63.839 62.300 -0.169 0.000 1.014 147 V CB -1.393 30.264 31.823 -0.278 0.000 0.645 147 V HN 0.368 nan 8.190 nan 0.000 0.447 148 P HA -0.181 nan 4.420 nan 0.000 0.217 148 P C 1.714 179.054 177.300 0.066 0.000 1.150 148 P CA 1.449 64.557 63.100 0.013 0.000 0.832 148 P CB -0.168 31.547 31.700 0.026 0.000 0.787 149 F N 1.456 121.354 119.950 -0.085 0.000 2.075 149 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 149 F C 2.269 178.036 175.800 -0.054 0.000 1.113 149 F CA 1.488 59.443 58.000 -0.075 0.000 1.218 149 F CB -1.231 37.706 39.000 -0.106 0.000 0.984 149 F HN -0.099 nan 8.300 nan 0.000 0.472 150 A N 0.344 123.041 122.820 -0.205 0.000 1.908 150 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 150 A C 2.164 179.626 177.584 -0.203 0.000 1.181 150 A CA 1.881 53.739 52.037 -0.297 0.000 0.627 150 A CB -1.363 17.561 19.000 -0.127 0.000 0.818 150 A HN 0.501 nan 8.150 nan 0.000 0.445 151 L N -0.292 120.867 121.223 -0.107 0.000 2.093 151 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 151 L C 2.459 179.292 176.870 -0.062 0.000 1.085 151 L CA 2.723 57.526 54.840 -0.062 0.000 0.755 151 L CB -1.048 40.994 42.059 -0.029 0.000 0.904 151 L HN 0.381 nan 8.230 nan 0.000 0.435 152 T N -1.198 113.318 114.554 -0.062 0.000 2.746 152 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 152 T C 1.984 176.639 174.700 -0.075 0.000 1.039 152 T CA 1.636 63.714 62.100 -0.036 0.000 1.142 152 T CB -0.400 68.481 68.868 0.023 0.000 0.866 152 T HN 0.192 nan 8.240 nan 0.000 0.444 153 V N 1.501 121.305 119.914 -0.184 0.000 2.295 153 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 153 V C 2.511 178.538 176.094 -0.112 0.000 1.049 153 V CA 1.474 63.656 62.300 -0.197 0.000 1.024 153 V CB -0.725 30.855 31.823 -0.404 0.000 0.648 153 V HN 0.419 nan 8.190 nan 0.000 0.447 154 L N -0.653 120.509 121.223 -0.101 0.000 2.012 154 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 154 L C 2.700 179.555 176.870 -0.026 0.000 1.073 154 L CA 1.914 56.728 54.840 -0.043 0.000 0.748 154 L CB -0.796 41.246 42.059 -0.028 0.000 0.891 154 L HN 0.407 nan 8.230 nan 0.000 0.431 155 C N -0.436 118.851 119.300 -0.022 0.000 2.401 155 C HA -0.161 4.299 4.460 -0.000 0.000 0.276 155 C C 2.706 177.689 174.990 -0.012 0.000 1.233 155 C CA 0.539 59.554 59.018 -0.004 0.000 1.753 155 C CB -0.858 26.888 27.740 0.009 0.000 2.029 155 C HN 0.506 nan 8.230 nan 0.000 0.478 156 E N 0.275 120.462 120.200 -0.021 0.000 2.106 156 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 156 E C 2.310 178.889 176.600 -0.035 0.000 0.984 156 E CA 0.938 57.325 56.400 -0.022 0.000 0.806 156 E CB -0.321 29.366 29.700 -0.020 0.000 0.750 156 E HN 0.530 nan 8.360 nan 0.000 0.458 157 V N 0.783 120.671 119.914 -0.043 0.000 2.599 157 V HA -0.074 4.045 4.120 -0.000 0.000 0.245 157 V C 2.203 178.255 176.094 -0.070 0.000 1.046 157 V CA 0.795 63.057 62.300 -0.064 0.000 1.065 157 V CB -0.082 31.712 31.823 -0.049 0.000 0.703 157 V HN 0.150 nan 8.190 nan 0.000 0.464 158 I N 0.069 120.614 120.570 -0.042 0.000 2.480 158 I HA 0.211 4.381 4.170 -0.000 0.000 0.251 158 I C 1.342 177.432 176.117 -0.045 0.000 1.124 158 I CA 1.227 62.503 61.300 -0.039 0.000 1.444 158 I CB 0.092 38.081 38.000 -0.017 0.000 1.098 158 I HN 0.482 nan 8.210 nan 0.000 0.428 159 G N 1.599 110.380 108.800 -0.032 0.000 2.932 159 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.180 159 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.180 159 G C -0.581 174.316 174.900 -0.005 0.000 1.072 159 G CA -0.755 44.330 45.100 -0.025 0.000 0.997 159 G HN 0.006 nan 8.290 nan 0.000 0.541 160 V N 1.501 121.420 119.914 0.008 0.000 2.311 160 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 160 V C -1.551 174.563 176.094 0.032 0.000 1.022 160 V CA -1.727 60.589 62.300 0.026 0.000 0.830 160 V CB 1.608 33.464 31.823 0.055 0.000 1.012 160 V HN 0.316 nan 8.190 nan 0.000 0.452 161 P HA 0.117 nan 4.420 nan 0.000 0.267 161 P C -2.013 175.299 177.300 0.020 0.000 1.200 161 P CA -0.953 62.163 63.100 0.027 0.000 0.772 161 P CB 0.190 31.890 31.700 -0.000 0.000 0.855 162 P HA -0.219 nan 4.420 nan 0.000 0.217 162 P C 1.095 178.406 177.300 0.018 0.000 1.148 162 P CA 1.622 64.734 63.100 0.019 0.000 0.828 162 P CB -0.155 31.554 31.700 0.015 0.000 0.783 163 Q N -0.802 119.001 119.800 0.005 0.000 2.224 163 Q HA -0.069 4.270 4.340 -0.000 0.000 0.203 163 Q C 1.818 177.832 176.000 0.023 0.000 0.970 163 Q CA 1.099 56.903 55.803 0.002 0.000 0.865 163 Q CB -0.573 28.153 28.738 -0.020 0.000 0.922 163 Q HN 0.307 nan 8.270 nan 0.000 0.445 164 R N 0.268 120.793 120.500 0.042 0.000 2.310 164 R HA 0.182 4.522 4.340 -0.000 0.000 0.202 164 R C 1.586 177.981 176.300 0.159 0.000 0.933 164 R CA 0.163 56.339 56.100 0.127 0.000 1.054 164 R CB 0.121 30.490 30.300 0.114 0.000 0.985 164 R HN 0.282 nan 8.270 nan 0.000 0.489 165 R N 0.878 121.429 120.500 0.084 0.000 2.115 165 R HA 0.038 4.378 4.340 -0.000 0.000 0.226 165 R C 2.243 178.552 176.300 0.015 0.000 1.100 165 R CA 1.190 57.324 56.100 0.058 0.000 0.980 165 R CB -0.293 30.030 30.300 0.039 0.000 0.875 165 R HN 0.125 nan 8.270 nan 0.000 0.445 166 A N 1.424 124.251 122.820 0.013 0.000 1.908 166 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 166 A C 2.048 179.605 177.584 -0.045 0.000 1.181 166 A CA 1.606 53.638 52.037 -0.008 0.000 0.627 166 A CB -0.436 18.565 19.000 0.002 0.000 0.818 166 A HN 0.393 nan 8.150 nan 0.000 0.445 167 E N -0.453 119.712 120.200 -0.058 0.000 2.106 167 E HA -0.143 4.206 4.350 -0.000 0.000 0.192 167 E C 1.978 178.365 176.600 -0.355 0.000 0.984 167 E CA 0.799 57.103 56.400 -0.160 0.000 0.806 167 E CB -0.172 29.464 29.700 -0.107 0.000 0.750 167 E HN 0.608 nan 8.360 nan 0.000 0.458 168 L N 0.606 121.596 121.223 -0.387 0.000 1.989 168 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 168 L C 2.413 179.167 176.870 -0.194 0.000 1.071 168 L CA 1.875 56.472 54.840 -0.406 0.000 0.749 168 L CB -0.599 41.390 42.059 -0.116 0.000 0.890 168 L HN 0.272 nan 8.230 nan 0.000 0.431 169 T N -0.753 113.738 114.554 -0.105 0.000 2.653 169 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 169 T C 1.699 176.362 174.700 -0.061 0.000 1.035 169 T CA 2.202 64.268 62.100 -0.056 0.000 1.154 169 T CB -0.422 68.428 68.868 -0.030 0.000 0.862 169 T HN 0.472 nan 8.240 nan 0.000 0.441 170 T N 2.289 116.794 114.554 -0.082 0.000 2.737 170 T HA 0.052 4.402 4.350 -0.000 0.000 0.265 170 T C 2.033 176.696 174.700 -0.062 0.000 1.038 170 T CA 0.875 62.938 62.100 -0.061 0.000 1.144 170 T CB -0.520 68.314 68.868 -0.057 0.000 0.866 170 T HN 0.240 nan 8.240 nan 0.000 0.434 171 L N 0.406 121.560 121.223 -0.116 0.000 2.127 171 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 171 L C 2.375 179.240 176.870 -0.008 0.000 1.089 171 L CA 1.009 55.802 54.840 -0.079 0.000 0.757 171 L CB -0.625 41.333 42.059 -0.169 0.000 0.899 171 L HN 0.241 nan 8.230 nan 0.000 0.434 172 L N -1.000 120.215 121.223 -0.014 0.000 2.131 172 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 172 L C 2.831 179.716 176.870 0.025 0.000 1.087 172 L CA 0.848 55.713 54.840 0.041 0.000 0.767 172 L CB -0.625 41.458 42.059 0.039 0.000 0.917 172 L HN 0.213 nan 8.230 nan 0.000 0.441 173 A N 0.423 123.247 122.820 0.005 0.000 1.902 173 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 173 A C 2.361 179.948 177.584 0.005 0.000 1.181 173 A CA 1.652 53.691 52.037 0.004 0.000 0.623 173 A CB -1.269 17.733 19.000 0.003 0.000 0.818 173 A HN 0.426 nan 8.150 nan 0.000 0.443 174 G N -0.029 108.777 108.800 0.010 0.000 2.501 174 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.220 174 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.220 174 G C 1.318 176.239 174.900 0.035 0.000 1.114 174 G CA 1.195 46.307 45.100 0.020 0.000 0.757 174 G HN 0.576 nan 8.290 nan 0.000 0.559 175 I N -0.079 120.517 120.570 0.042 0.000 3.265 175 I HA 0.185 4.354 4.170 -0.000 0.000 0.282 175 I C 2.981 179.057 176.117 -0.068 0.000 1.207 175 I CA 0.611 61.932 61.300 0.034 0.000 1.449 175 I CB -0.266 37.797 38.000 0.105 0.000 1.121 175 I HN 0.139 nan 8.210 nan 0.000 0.442 176 A N 2.177 124.955 122.820 -0.070 0.000 1.858 176 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 176 A C 2.623 180.169 177.584 -0.064 0.000 1.190 176 A CA 2.661 54.638 52.037 -0.100 0.000 0.617 176 A CB -0.834 18.133 19.000 -0.055 0.000 0.827 176 A HN 0.380 nan 8.150 nan 0.000 0.443 177 K N -0.826 119.558 120.400 -0.027 0.000 2.217 177 K HA 0.466 4.785 4.320 -0.000 0.000 0.202 177 K C 1.251 177.847 176.600 -0.006 0.000 1.051 177 K CA 1.151 57.430 56.287 -0.013 0.000 0.952 177 K CB -2.166 30.333 32.500 -0.001 0.000 0.736 177 K HN 1.370 nan 8.250 nan 0.000 0.453 178 L N 2.027 123.251 121.223 0.002 0.000 2.558 178 L HA 0.298 4.638 4.340 -0.000 0.000 0.301 178 L C 0.768 177.649 176.870 0.018 0.000 1.267 178 L CA 1.357 56.208 54.840 0.019 0.000 0.854 178 L CB -0.284 41.801 42.059 0.044 0.000 1.103 178 L HN 0.774 nan 8.230 nan 0.000 0.522 179 D N -2.188 118.227 120.400 0.025 0.000 2.520 179 D HA 0.124 4.764 4.640 -0.000 0.000 0.386 179 D C -0.305 176.007 176.300 0.019 0.000 1.267 179 D CA 0.364 54.375 54.000 0.019 0.000 0.958 179 D CB -0.381 40.423 40.800 0.008 0.000 1.462 179 D HN 0.845 nan 8.370 nan 0.000 0.438 180 D N -0.599 119.815 120.400 0.022 0.000 2.493 180 D HA 0.491 5.130 4.640 -0.000 0.000 0.239 180 D C 1.347 177.660 176.300 0.022 0.000 1.049 180 D CA -0.576 53.434 54.000 0.017 0.000 1.008 180 D CB 1.286 42.094 40.800 0.013 0.000 1.398 180 D HN 0.000 nan 8.370 nan 0.000 0.513 181 R N 0.260 120.768 120.500 0.013 0.000 2.115 181 R HA -0.097 4.243 4.340 -0.000 0.000 0.230 181 R C 1.720 178.028 176.300 0.014 0.000 1.111 181 R CA 1.451 57.556 56.100 0.010 0.000 0.976 181 R CB -1.241 29.058 30.300 -0.001 0.000 0.870 181 R HN 0.502 nan 8.270 nan 0.000 0.445 182 E N 0.041 120.250 120.200 0.015 0.000 2.046 182 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 182 E C 2.412 179.029 176.600 0.027 0.000 0.982 182 E CA 1.440 57.850 56.400 0.018 0.000 0.800 182 E CB -0.906 28.803 29.700 0.015 0.000 0.756 182 E HN 0.585 nan 8.360 nan 0.000 0.449 183 G N 0.795 109.613 108.800 0.029 0.000 2.432 183 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 183 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 183 G C 1.640 176.572 174.900 0.052 0.000 1.135 183 G CA 1.202 46.324 45.100 0.037 0.000 0.767 183 G HN 0.388 nan 8.290 nan 0.000 0.550 184 A N -0.112 122.741 122.820 0.055 0.000 1.935 184 A HA 0.280 4.600 4.320 -0.000 0.000 0.214 184 A C 2.526 180.155 177.584 0.074 0.000 1.178 184 A CA 1.248 53.333 52.037 0.079 0.000 0.640 184 A CB -0.339 18.713 19.000 0.087 0.000 0.825 184 A HN 0.192 nan 8.150 nan 0.000 0.447 185 V N 0.360 120.301 119.914 0.046 0.000 2.343 185 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 185 V C 2.729 178.861 176.094 0.063 0.000 1.051 185 V CA 2.222 64.547 62.300 0.042 0.000 1.036 185 V CB -0.735 31.100 31.823 0.021 0.000 0.654 185 V HN 0.578 nan 8.190 nan 0.000 0.451 186 R N 0.141 120.677 120.500 0.060 0.000 2.066 186 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 186 R C 2.332 178.687 176.300 0.091 0.000 1.131 186 R CA 1.708 57.848 56.100 0.066 0.000 0.955 186 R CB -0.562 29.770 30.300 0.052 0.000 0.851 186 R HN 0.475 nan 8.270 nan 0.000 0.432 187 A N 1.360 124.238 122.820 0.097 0.000 1.908 187 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 187 A C 2.112 179.801 177.584 0.175 0.000 1.181 187 A CA 1.271 53.380 52.037 0.120 0.000 0.627 187 A CB -0.448 18.619 19.000 0.112 0.000 0.818 187 A HN 0.375 nan 8.150 nan 0.000 0.445 188 Q N 0.006 119.922 119.800 0.194 0.000 2.112 188 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 188 Q C 1.560 177.710 176.000 0.250 0.000 0.987 188 Q CA 1.821 57.778 55.803 0.257 0.000 0.858 188 Q CB -0.528 28.332 28.738 0.204 0.000 0.905 188 Q HN 0.648 nan 8.270 nan 0.000 0.420 189 D N 0.682 121.188 120.400 0.176 0.000 2.117 189 D HA -0.117 4.522 4.640 -0.000 0.000 0.198 189 D C 1.453 177.881 176.300 0.213 0.000 0.982 189 D CA 0.939 55.038 54.000 0.166 0.000 0.828 189 D CB -0.128 40.731 40.800 0.098 0.000 0.967 189 D HN 0.222 nan 8.370 nan 0.000 0.464 190 D N 0.318 120.823 120.400 0.174 0.000 2.117 190 D HA -0.117 4.522 4.640 -0.000 0.000 0.198 190 D C 2.165 178.583 176.300 0.196 0.000 0.982 190 D CA 0.289 54.384 54.000 0.160 0.000 0.828 190 D CB -0.379 40.487 40.800 0.109 0.000 0.967 190 D HN 0.137 nan 8.370 nan 0.000 0.464 191 L N 0.048 121.397 121.223 0.211 0.000 2.017 191 L HA -0.081 4.258 4.340 -0.000 0.000 0.208 191 L C 2.127 179.156 176.870 0.264 0.000 1.073 191 L CA 1.377 56.350 54.840 0.222 0.000 0.745 191 L CB -0.870 41.332 42.059 0.239 0.000 0.894 191 L HN -0.035 nan 8.230 nan 0.000 0.432 192 F N 0.324 120.355 119.950 0.134 0.000 2.091 192 F HA -0.152 4.375 4.527 -0.001 0.000 0.299 192 F C 2.176 178.005 175.800 0.048 0.000 1.103 192 F CA 2.038 60.081 58.000 0.071 0.000 1.228 192 F CB -0.827 38.203 39.000 0.051 0.000 0.984 192 F HN 0.158 nan 8.300 nan 0.000 0.477 193 G N -1.374 107.576 108.800 0.249 0.000 2.422 193 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 193 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 193 G C 1.517 176.428 174.900 0.018 0.000 1.146 193 G CA 0.867 46.035 45.100 0.113 0.000 0.769 193 G HN 0.550 nan 8.290 nan 0.000 0.547 194 Y N 1.362 121.645 120.300 -0.029 0.000 2.128 194 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 194 Y C 2.761 178.597 175.900 -0.105 0.000 1.154 194 Y CA 1.978 60.050 58.100 -0.047 0.000 1.149 194 Y CB -0.404 38.047 38.460 -0.016 0.000 0.976 194 Y HN 0.035 nan 8.280 nan 0.000 0.505 195 V N 0.636 120.446 119.914 -0.173 0.000 2.427 195 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 195 V C 2.717 178.568 176.094 -0.404 0.000 1.051 195 V CA 1.647 63.757 62.300 -0.317 0.000 1.048 195 V CB -1.595 30.108 31.823 -0.200 0.000 0.666 195 V HN 0.599 nan 8.190 nan 0.000 0.456 196 A N 0.686 123.214 122.820 -0.487 0.000 1.940 196 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 196 A C 2.416 179.846 177.584 -0.257 0.000 1.176 196 A CA 2.012 53.798 52.037 -0.417 0.000 0.631 196 A CB -1.179 17.571 19.000 -0.416 0.000 0.814 196 A HN 0.531 nan 8.150 nan 0.000 0.446 197 G N -0.138 108.515 108.800 -0.246 0.000 2.418 197 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 197 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 197 G C 1.534 176.315 174.900 -0.197 0.000 1.158 197 G CA 1.001 45.985 45.100 -0.194 0.000 0.771 197 G HN 0.446 nan 8.290 nan 0.000 0.545 198 L N 0.265 121.305 121.223 -0.306 0.000 2.042 198 L HA -0.119 4.220 4.340 -0.000 0.000 0.210 198 L C 2.993 179.789 176.870 -0.124 0.000 1.076 198 L CA 0.644 55.355 54.840 -0.214 0.000 0.749 198 L CB -0.655 41.232 42.059 -0.287 0.000 0.893 198 L HN 0.097 nan 8.230 nan 0.000 0.432 199 V N -0.239 119.575 119.914 -0.167 0.000 2.343 199 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 199 V C 2.558 178.591 176.094 -0.101 0.000 1.051 199 V CA 1.929 64.148 62.300 -0.135 0.000 1.036 199 V CB -0.437 31.291 31.823 -0.157 0.000 0.654 199 V HN 0.416 nan 8.190 nan 0.000 0.451 200 E N -0.021 120.126 120.200 -0.088 0.000 2.047 200 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 200 E C 2.194 178.779 176.600 -0.024 0.000 0.987 200 E CA 1.749 58.116 56.400 -0.055 0.000 0.799 200 E CB -0.632 29.040 29.700 -0.046 0.000 0.752 200 E HN 0.740 nan 8.360 nan 0.000 0.449 201 H N 0.411 119.422 119.070 -0.098 0.000 2.289 201 H HA -0.153 4.402 4.556 -0.000 0.000 0.294 201 H C 1.534 176.819 175.328 -0.073 0.000 1.095 201 H CA 2.035 58.033 56.048 -0.083 0.000 1.256 201 H CB 0.212 29.916 29.762 -0.095 0.000 1.359 201 H HN -0.001 nan 8.280 nan 0.000 0.487 202 K N 0.719 120.937 120.400 -0.303 0.000 2.283 202 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 202 K C 2.379 178.852 176.600 -0.212 0.000 1.048 202 K CA 0.561 56.652 56.287 -0.326 0.000 0.948 202 K CB -0.311 32.075 32.500 -0.190 0.000 0.742 202 K HN 0.425 nan 8.250 nan 0.000 0.458 203 R N 0.807 121.219 120.500 -0.147 0.000 2.066 203 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 203 R C 2.157 178.395 176.300 -0.103 0.000 1.131 203 R CA 1.384 57.422 56.100 -0.103 0.000 0.955 203 R CB -0.165 30.092 30.300 -0.072 0.000 0.851 203 R HN 0.128 nan 8.270 nan 0.000 0.432 204 A N 0.184 122.939 122.820 -0.109 0.000 1.933 204 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 204 A C 0.856 178.368 177.584 -0.120 0.000 1.175 204 A CA 1.309 53.294 52.037 -0.087 0.000 0.628 204 A CB -0.052 18.921 19.000 -0.046 0.000 0.814 204 A HN 0.464 nan 8.150 nan 0.000 0.444 205 E N -0.165 119.904 120.200 -0.218 0.000 2.914 205 E HA 0.294 4.644 4.350 -0.000 0.000 0.246 205 E C -2.881 173.584 176.600 -0.225 0.000 1.146 205 E CA -2.109 54.161 56.400 -0.216 0.000 0.803 205 E CB 1.199 30.738 29.700 -0.268 0.000 1.409 205 E HN 0.188 nan 8.360 nan 0.000 0.392 206 P HA 0.164 nan 4.420 nan 0.000 0.269 206 P C -0.147 177.090 177.300 -0.106 0.000 1.209 206 P CA -0.070 62.954 63.100 -0.126 0.000 0.776 206 P CB 1.131 32.777 31.700 -0.090 0.000 0.876 207 G N 1.414 110.157 108.800 -0.096 0.000 2.816 207 G HA2 0.596 4.556 3.960 -0.000 0.000 0.288 207 G HA3 0.596 4.556 3.960 -0.000 0.000 0.288 207 G C -2.787 172.073 174.900 -0.067 0.000 1.334 207 G CA -1.448 43.609 45.100 -0.071 0.000 0.978 207 G HN 0.268 nan 8.290 nan 0.000 0.493 208 P HA 0.278 nan 4.420 nan 0.000 0.225 208 P C -1.488 175.768 177.300 -0.075 0.000 1.830 208 P CA -0.178 62.885 63.100 -0.063 0.000 1.051 208 P CB -0.012 31.657 31.700 -0.052 0.000 1.929 209 D N -0.600 119.750 120.400 -0.084 0.000 2.599 209 D HA 0.237 4.877 4.640 -0.000 0.000 0.252 209 D C 0.858 177.096 176.300 -0.103 0.000 1.232 209 D CA -0.874 53.070 54.000 -0.092 0.000 0.819 209 D CB 0.323 41.080 40.800 -0.072 0.000 1.401 209 D HN -0.117 nan 8.370 nan 0.000 0.429 210 I N 0.093 120.595 120.570 -0.113 0.000 2.179 210 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 210 I C 2.050 178.120 176.117 -0.079 0.000 1.088 210 I CA 0.990 62.223 61.300 -0.112 0.000 1.357 210 I CB -0.278 37.656 38.000 -0.109 0.000 1.051 210 I HN 0.455 nan 8.210 nan 0.000 0.409 211 I N 0.244 120.770 120.570 -0.072 0.000 2.208 211 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 211 I C 2.593 178.665 176.117 -0.076 0.000 1.097 211 I CA 1.484 62.741 61.300 -0.072 0.000 1.363 211 I CB -0.290 37.662 38.000 -0.080 0.000 1.051 211 I HN 0.183 nan 8.210 nan 0.000 0.413 212 S N 0.244 115.894 115.700 -0.083 0.000 2.368 212 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 212 S C 2.037 176.595 174.600 -0.070 0.000 1.029 212 S CA 1.134 59.284 58.200 -0.083 0.000 0.988 212 S CB -0.291 62.856 63.200 -0.088 0.000 0.838 212 S HN 0.370 nan 8.310 nan 0.000 0.462 213 R N 0.617 121.074 120.500 -0.071 0.000 2.115 213 R HA 0.136 4.476 4.340 -0.000 0.000 0.230 213 R C 2.062 178.332 176.300 -0.050 0.000 1.111 213 R CA 0.755 56.817 56.100 -0.064 0.000 0.976 213 R CB -0.317 29.936 30.300 -0.078 0.000 0.870 213 R HN 0.356 nan 8.270 nan 0.000 0.445 214 L N 0.304 121.499 121.223 -0.047 0.000 2.131 214 L HA -0.116 4.223 4.340 -0.000 0.000 0.206 214 L C 1.745 178.598 176.870 -0.030 0.000 1.087 214 L CA 0.755 55.578 54.840 -0.029 0.000 0.767 214 L CB -0.395 41.652 42.059 -0.020 0.000 0.917 214 L HN 0.177 nan 8.230 nan 0.000 0.441 215 N N 0.406 119.081 118.700 -0.042 0.000 2.069 215 N HA -0.206 4.533 4.740 -0.000 0.000 0.191 215 N C 1.413 176.901 175.510 -0.036 0.000 1.031 215 N CA 1.555 54.579 53.050 -0.043 0.000 0.852 215 N CB -0.390 38.062 38.487 -0.058 0.000 1.018 215 N HN 0.253 nan 8.380 nan 0.000 0.423 216 D N -0.336 120.040 120.400 -0.040 0.000 2.218 216 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 216 D C 1.572 177.856 176.300 -0.027 0.000 0.976 216 D CA 0.832 54.811 54.000 -0.035 0.000 0.853 216 D CB -0.603 40.173 40.800 -0.040 0.000 0.939 216 D HN 0.330 nan 8.370 nan 0.000 0.481 217 G N -0.078 108.708 108.800 -0.024 0.000 3.061 217 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.208 217 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.208 217 G C 0.115 175.009 174.900 -0.010 0.000 1.175 217 G CA -0.088 45.003 45.100 -0.016 0.000 0.812 217 G HN 0.222 nan 8.290 nan 0.000 0.523 218 E N -1.254 118.938 120.200 -0.013 0.000 2.637 218 E HA -0.164 4.186 4.350 -0.000 0.000 0.265 218 E C -0.030 176.569 176.600 -0.001 0.000 1.073 218 E CA 0.077 56.471 56.400 -0.009 0.000 0.778 218 E CB -1.695 28.000 29.700 -0.007 0.000 1.362 218 E HN 0.421 nan 8.360 nan 0.000 0.413 219 L N 0.869 122.092 121.223 -0.000 0.000 2.395 219 L HA 0.254 4.594 4.340 -0.000 0.000 0.269 219 L C 1.463 178.339 176.870 0.009 0.000 1.133 219 L CA -0.066 54.781 54.840 0.011 0.000 0.812 219 L CB 0.800 42.869 42.059 0.016 0.000 1.125 219 L HN 0.084 nan 8.230 nan 0.000 0.452 220 T N -2.468 112.100 114.554 0.023 0.000 2.828 220 T HA 0.040 4.390 4.350 -0.000 0.000 0.290 220 T C 0.955 175.665 174.700 0.017 0.000 1.019 220 T CA -0.434 61.679 62.100 0.022 0.000 1.031 220 T CB 1.200 70.091 68.868 0.038 0.000 1.001 220 T HN 0.798 nan 8.240 nan 0.000 0.531 221 E N 0.650 120.851 120.200 0.002 0.000 2.085 221 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 221 E C 1.204 177.785 176.600 -0.032 0.000 0.994 221 E CA 1.796 58.177 56.400 -0.031 0.000 0.801 221 E CB -0.202 29.474 29.700 -0.039 0.000 0.743 221 E HN 0.737 nan 8.360 nan 0.000 0.453 222 D N 0.065 120.501 120.400 0.060 0.000 2.104 222 D HA -0.187 4.452 4.640 -0.000 0.000 0.194 222 D C 2.096 178.482 176.300 0.142 0.000 0.994 222 D CA 1.158 55.261 54.000 0.170 0.000 0.830 222 D CB -0.287 40.657 40.800 0.239 0.000 0.959 222 D HN 0.079 nan 8.370 nan 0.000 0.452 223 R N 0.669 121.258 120.500 0.149 0.000 2.066 223 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 223 R C 2.185 178.552 176.300 0.112 0.000 1.131 223 R CA 0.865 57.069 56.100 0.175 0.000 0.955 223 R CB -0.654 29.718 30.300 0.121 0.000 0.851 223 R HN 0.030 nan 8.270 nan 0.000 0.432 224 V N 0.803 120.738 119.914 0.034 0.000 2.343 224 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 224 V C 2.346 178.413 176.094 -0.046 0.000 1.051 224 V CA 1.950 64.246 62.300 -0.008 0.000 1.036 224 V CB -1.000 30.797 31.823 -0.044 0.000 0.654 224 V HN 0.523 nan 8.190 nan 0.000 0.451 225 A N -0.948 121.789 122.820 -0.138 0.000 1.930 225 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 225 A C 2.003 179.524 177.584 -0.105 0.000 1.175 225 A CA 1.892 53.751 52.037 -0.297 0.000 0.627 225 A CB -0.797 17.709 19.000 -0.823 0.000 0.815 225 A HN 0.695 nan 8.150 nan 0.000 0.443 226 H N -0.361 118.805 119.070 0.160 0.000 2.353 226 H HA -0.032 4.524 4.556 -0.000 0.000 0.300 226 H C 1.973 177.368 175.328 0.112 0.000 1.090 226 H CA 1.537 57.718 56.048 0.222 0.000 1.327 226 H CB -0.122 29.783 29.762 0.239 0.000 1.383 226 H HN 0.377 nan 8.280 nan 0.000 0.508 227 L N -0.029 121.314 121.223 0.199 0.000 2.017 227 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 227 L C 2.864 179.778 176.870 0.073 0.000 1.073 227 L CA 0.922 55.838 54.840 0.127 0.000 0.745 227 L CB -0.542 41.577 42.059 0.100 0.000 0.894 227 L HN 0.344 nan 8.230 nan 0.000 0.432 228 A N -0.250 122.584 122.820 0.025 0.000 1.877 228 A HA -0.240 4.079 4.320 -0.000 0.000 0.216 228 A C 2.332 179.878 177.584 -0.063 0.000 1.186 228 A CA 1.882 53.908 52.037 -0.019 0.000 0.620 228 A CB -0.517 18.449 19.000 -0.057 0.000 0.822 228 A HN 0.333 nan 8.150 nan 0.000 0.443 229 M N -0.703 118.848 119.600 -0.081 0.000 2.117 229 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 229 M C 2.319 178.397 176.300 -0.370 0.000 1.065 229 M CA 1.403 56.550 55.300 -0.256 0.000 1.114 229 M CB -0.598 31.936 32.600 -0.110 0.000 1.361 229 M HN 0.539 nan 8.290 nan 0.000 0.408 230 G N 0.432 109.202 108.800 -0.050 0.000 2.469 230 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.219 230 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.219 230 G C 1.461 176.392 174.900 0.052 0.000 1.150 230 G CA 0.788 45.941 45.100 0.087 0.000 0.763 230 G HN 0.355 nan 8.290 nan 0.000 0.561 231 L N -0.179 121.059 121.223 0.024 0.000 2.046 231 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 231 L C 2.934 179.814 176.870 0.018 0.000 1.077 231 L CA 0.498 55.370 54.840 0.053 0.000 0.747 231 L CB -0.387 41.725 42.059 0.089 0.000 0.896 231 L HN 0.192 nan 8.230 nan 0.000 0.432 232 L N -1.254 119.921 121.223 -0.081 0.000 2.013 232 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 232 L C 2.534 179.411 176.870 0.011 0.000 1.073 232 L CA 1.441 56.223 54.840 -0.097 0.000 0.753 232 L CB -0.565 41.359 42.059 -0.225 0.000 0.890 232 L HN 0.155 nan 8.230 nan 0.000 0.432 233 F N -0.246 119.775 119.950 0.119 0.000 2.206 233 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 233 F C 2.562 178.424 175.800 0.104 0.000 1.090 233 F CA 0.757 58.838 58.000 0.135 0.000 1.323 233 F CB -1.270 37.870 39.000 0.232 0.000 1.028 233 F HN -0.007 nan 8.300 nan 0.000 0.492 234 A N -0.129 122.845 122.820 0.256 0.000 1.968 234 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 234 A C 2.412 180.061 177.584 0.107 0.000 1.169 234 A CA 1.554 53.689 52.037 0.163 0.000 0.638 234 A CB -1.256 17.808 19.000 0.108 0.000 0.812 234 A HN 0.379 nan 8.150 nan 0.000 0.446 235 G N -1.656 107.196 108.800 0.087 0.000 3.126 235 G HA2 0.327 4.287 3.960 -0.000 0.000 0.224 235 G HA3 0.327 4.287 3.960 -0.000 0.000 0.224 235 G C 1.045 175.965 174.900 0.034 0.000 1.142 235 G CA 0.627 45.755 45.100 0.048 0.000 0.759 235 G HN 0.336 nan 8.290 nan 0.000 0.550 236 L N 0.199 121.457 121.223 0.058 0.000 2.327 236 L HA 0.362 4.702 4.340 -0.000 0.000 0.192 236 L C 1.829 178.724 176.870 0.043 0.000 1.158 236 L CA 1.452 56.315 54.840 0.038 0.000 0.813 236 L CB -0.465 41.629 42.059 0.058 0.000 1.021 236 L HN -0.052 nan 8.230 nan 0.000 0.481 237 D N -0.315 120.123 120.400 0.064 0.000 2.178 237 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 237 D C 2.288 178.633 176.300 0.075 0.000 0.980 237 D CA 1.480 55.521 54.000 0.069 0.000 0.842 237 D CB -0.092 40.739 40.800 0.051 0.000 0.948 237 D HN 0.541 nan 8.370 nan 0.000 0.472 238 S N 0.418 116.159 115.700 0.068 0.000 2.351 238 S HA -0.154 4.316 4.470 -0.000 0.000 0.220 238 S C 2.319 176.959 174.600 0.067 0.000 1.035 238 S CA 1.260 59.499 58.200 0.064 0.000 1.031 238 S CB -0.907 62.336 63.200 0.071 0.000 0.928 238 S HN 0.101 nan 8.310 nan 0.000 0.433 239 V N 3.092 123.041 119.914 0.059 0.000 2.255 239 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 239 V C 3.190 179.324 176.094 0.068 0.000 1.051 239 V CA 1.889 64.219 62.300 0.050 0.000 1.018 239 V CB -1.639 30.183 31.823 -0.001 0.000 0.641 239 V HN 0.695 nan 8.190 nan 0.000 0.445 240 A N 0.378 123.237 122.820 0.066 0.000 1.902 240 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 240 A C 2.568 180.258 177.584 0.178 0.000 1.181 240 A CA 2.511 54.601 52.037 0.089 0.000 0.623 240 A CB -0.732 18.286 19.000 0.030 0.000 0.818 240 A HN 0.687 nan 8.150 nan 0.000 0.443 241 S N -0.538 115.268 115.700 0.176 0.000 2.395 241 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 241 S C 1.841 176.557 174.600 0.194 0.000 1.027 241 S CA 1.076 59.403 58.200 0.211 0.000 0.965 241 S CB -0.414 62.874 63.200 0.145 0.000 0.812 241 S HN 0.302 nan 8.310 nan 0.000 0.482 242 I N 1.677 122.334 120.570 0.145 0.000 2.226 242 I HA -0.096 4.073 4.170 -0.000 0.000 0.245 242 I C 2.590 178.868 176.117 0.269 0.000 1.100 242 I CA 1.424 62.819 61.300 0.159 0.000 1.374 242 I CB -1.222 36.831 38.000 0.090 0.000 1.057 242 I HN 0.448 nan 8.210 nan 0.000 0.413 243 M N 0.510 120.249 119.600 0.232 0.000 2.086 243 M HA -0.244 4.235 4.480 -0.000 0.000 0.261 243 M C 1.823 178.338 176.300 0.359 0.000 1.067 243 M CA 1.872 57.343 55.300 0.286 0.000 1.116 243 M CB -0.188 32.473 32.600 0.102 0.000 1.348 243 M HN 0.115 nan 8.290 nan 0.000 0.407 244 D N 0.368 120.928 120.400 0.267 0.000 2.116 244 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 244 D C 1.651 178.082 176.300 0.219 0.000 0.998 244 D CA 1.288 55.419 54.000 0.219 0.000 0.836 244 D CB -0.706 40.291 40.800 0.329 0.000 0.951 244 D HN 0.454 nan 8.370 nan 0.000 0.449 245 N N 0.313 119.192 118.700 0.298 0.000 2.216 245 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 245 N C 1.956 177.556 175.510 0.149 0.000 1.017 245 N CA 1.044 54.250 53.050 0.260 0.000 0.861 245 N CB -0.253 38.371 38.487 0.229 0.000 0.986 245 N HN 0.208 nan 8.380 nan 0.000 0.428 246 G N 1.143 110.063 108.800 0.200 0.000 2.418 246 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 246 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 246 G C 1.760 176.569 174.900 -0.152 0.000 1.158 246 G CA 0.588 45.675 45.100 -0.021 0.000 0.771 246 G HN 0.150 nan 8.290 nan 0.000 0.545 247 V N 0.534 120.517 119.914 0.115 0.000 2.295 247 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 247 V C 3.057 179.220 176.094 0.114 0.000 1.049 247 V CA 1.605 64.032 62.300 0.212 0.000 1.024 247 V CB -0.415 31.513 31.823 0.174 0.000 0.648 247 V HN 0.261 nan 8.190 nan 0.000 0.447 248 V N -0.167 119.770 119.914 0.038 0.000 2.255 248 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 248 V C 2.313 178.362 176.094 -0.074 0.000 1.051 248 V CA 2.270 64.569 62.300 -0.002 0.000 1.018 248 V CB -0.637 31.203 31.823 0.029 0.000 0.641 248 V HN 0.437 nan 8.190 nan 0.000 0.445 249 L N -0.846 120.285 121.223 -0.153 0.000 2.017 249 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 249 L C 2.418 179.009 176.870 -0.464 0.000 1.073 249 L CA 1.569 56.176 54.840 -0.388 0.000 0.745 249 L CB -0.553 41.112 42.059 -0.656 0.000 0.894 249 L HN 0.280 nan 8.230 nan 0.000 0.432 250 L N -0.662 120.299 121.223 -0.438 0.000 2.093 250 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 250 L C 2.809 179.440 176.870 -0.399 0.000 1.085 250 L CA 0.977 55.531 54.840 -0.478 0.000 0.755 250 L CB -0.649 40.985 42.059 -0.708 0.000 0.904 250 L HN 0.238 nan 8.230 nan 0.000 0.435 251 A N -0.091 122.606 122.820 -0.206 0.000 1.969 251 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 251 A C 2.361 179.872 177.584 -0.122 0.000 1.169 251 A CA 1.543 53.536 52.037 -0.072 0.000 0.635 251 A CB -0.508 18.551 19.000 0.099 0.000 0.810 251 A HN 0.383 nan 8.150 nan 0.000 0.445 252 A N -1.479 121.236 122.820 -0.176 0.000 2.208 252 A HA 0.187 4.506 4.320 -0.000 0.000 0.209 252 A C 0.422 177.673 177.584 -0.554 0.000 1.161 252 A CA 0.449 52.297 52.037 -0.314 0.000 0.782 252 A CB -0.353 18.445 19.000 -0.337 0.000 0.816 252 A HN 0.578 nan 8.150 nan 0.000 0.477 253 H N -0.915 118.044 119.070 -0.184 0.000 2.448 253 H HA 0.258 4.815 4.556 0.001 0.000 0.237 253 H C -2.093 173.180 175.328 -0.091 0.000 1.391 253 H CA -1.594 54.391 56.048 -0.105 0.000 1.477 253 H CB 0.808 30.537 29.762 -0.056 0.000 1.520 253 H HN 0.150 nan 8.280 nan 0.000 0.502 254 P HA -0.163 nan 4.420 nan 0.000 0.217 254 P C 0.867 178.161 177.300 -0.010 0.000 1.150 254 P CA 1.151 64.227 63.100 -0.040 0.000 0.832 254 P CB 0.672 32.353 31.700 -0.032 0.000 0.787 255 D N -0.403 120.010 120.400 0.022 0.000 2.144 255 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 255 D C 2.182 178.501 176.300 0.032 0.000 0.978 255 D CA 1.010 55.026 54.000 0.026 0.000 0.833 255 D CB -0.322 40.500 40.800 0.036 0.000 0.961 255 D HN 0.332 nan 8.370 nan 0.000 0.470 256 Q N 0.119 119.958 119.800 0.065 0.000 2.187 256 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 256 Q C 2.204 178.217 176.000 0.022 0.000 0.957 256 Q CA 0.415 56.255 55.803 0.062 0.000 0.857 256 Q CB 0.129 28.951 28.738 0.141 0.000 0.929 256 Q HN 0.188 nan 8.270 nan 0.000 0.453 257 R N 0.996 121.479 120.500 -0.028 0.000 2.083 257 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 257 R C 2.216 178.469 176.300 -0.079 0.000 1.137 257 R CA 1.434 57.448 56.100 -0.144 0.000 0.951 257 R CB -0.296 29.814 30.300 -0.317 0.000 0.851 257 R HN 0.223 nan 8.270 nan 0.000 0.434 258 A N 0.626 123.421 122.820 -0.042 0.000 1.940 258 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 258 A C 2.355 179.941 177.584 0.004 0.000 1.176 258 A CA 1.835 53.867 52.037 -0.009 0.000 0.631 258 A CB -0.805 18.195 19.000 0.001 0.000 0.814 258 A HN 0.584 nan 8.150 nan 0.000 0.446 259 A N -0.239 122.584 122.820 0.004 0.000 1.898 259 A HA 0.195 4.515 4.320 -0.000 0.000 0.216 259 A C 2.514 180.105 177.584 0.013 0.000 1.181 259 A CA 1.989 54.032 52.037 0.009 0.000 0.620 259 A CB -1.019 17.984 19.000 0.006 0.000 0.819 259 A HN 1.069 nan 8.150 nan 0.000 0.442 260 A N -0.186 122.639 122.820 0.009 0.000 1.908 260 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 260 A C 2.129 179.738 177.584 0.042 0.000 1.181 260 A CA 1.569 53.621 52.037 0.025 0.000 0.627 260 A CB -0.620 18.391 19.000 0.019 0.000 0.818 260 A HN 0.476 nan 8.150 nan 0.000 0.445 261 L N -1.041 120.203 121.223 0.035 0.000 2.201 261 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 261 L C 2.872 179.769 176.870 0.046 0.000 1.105 261 L CA 0.794 55.666 54.840 0.055 0.000 0.775 261 L CB -0.348 41.746 42.059 0.059 0.000 0.913 261 L HN 0.431 nan 8.230 nan 0.000 0.440 262 A N -1.490 121.350 122.820 0.034 0.000 2.067 262 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 262 A C 0.530 178.132 177.584 0.030 0.000 1.156 262 A CA 0.798 52.853 52.037 0.030 0.000 0.683 262 A CB -0.037 18.976 19.000 0.023 0.000 0.808 262 A HN 0.330 nan 8.150 nan 0.000 0.455 263 D N -1.980 118.439 120.400 0.033 0.000 2.763 263 D HA 0.255 4.895 4.640 -0.000 0.000 0.235 263 D C -2.399 173.926 176.300 0.041 0.000 1.334 263 D CA -1.661 52.358 54.000 0.032 0.000 0.950 263 D CB 1.855 42.670 40.800 0.025 0.000 1.433 263 D HN -0.099 nan 8.370 nan 0.000 0.580 264 P HA -0.094 nan 4.420 nan 0.000 0.222 264 P C 0.771 178.104 177.300 0.055 0.000 1.147 264 P CA 0.826 63.959 63.100 0.055 0.000 0.790 264 P CB 0.677 32.406 31.700 0.050 0.000 0.780 265 D N -0.363 120.063 120.400 0.044 0.000 2.149 265 D HA -0.102 4.537 4.640 -0.000 0.000 0.201 265 D C 1.955 178.279 176.300 0.041 0.000 0.972 265 D CA 0.664 54.689 54.000 0.042 0.000 0.835 265 D CB -0.221 40.598 40.800 0.032 0.000 0.966 265 D HN -0.160 nan 8.370 nan 0.000 0.476 266 V N 0.549 120.483 119.914 0.034 0.000 2.427 266 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 266 V C 2.288 178.406 176.094 0.040 0.000 1.051 266 V CA 1.582 63.897 62.300 0.025 0.000 1.048 266 V CB -0.480 31.351 31.823 0.014 0.000 0.666 266 V HN 0.336 nan 8.190 nan 0.000 0.456 267 M N 1.232 120.870 119.600 0.062 0.000 2.117 267 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 267 M C 2.104 178.475 176.300 0.118 0.000 1.065 267 M CA 2.222 57.581 55.300 0.097 0.000 1.114 267 M CB -0.766 31.905 32.600 0.119 0.000 1.361 267 M HN 0.223 nan 8.290 nan 0.000 0.408 268 A N 0.396 123.277 122.820 0.102 0.000 1.917 268 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 268 A C 2.286 179.934 177.584 0.107 0.000 1.182 268 A CA 2.232 54.336 52.037 0.111 0.000 0.633 268 A CB -0.772 18.283 19.000 0.090 0.000 0.819 268 A HN 0.649 nan 8.150 nan 0.000 0.448 269 R N -0.777 119.765 120.500 0.069 0.000 2.115 269 R HA 0.020 4.360 4.340 -0.000 0.000 0.230 269 R C 2.437 178.742 176.300 0.008 0.000 1.111 269 R CA 0.964 57.089 56.100 0.042 0.000 0.976 269 R CB -0.410 29.896 30.300 0.009 0.000 0.870 269 R HN 0.524 nan 8.270 nan 0.000 0.445 270 A N 0.832 123.659 122.820 0.012 0.000 1.933 270 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 270 A C 2.325 179.951 177.584 0.069 0.000 1.175 270 A CA 1.190 53.215 52.037 -0.020 0.000 0.628 270 A CB -0.468 18.546 19.000 0.023 0.000 0.814 270 A HN 0.096 nan 8.150 nan 0.000 0.444 271 V N 0.426 120.447 119.914 0.179 0.000 2.287 271 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 271 V C 2.597 178.792 176.094 0.168 0.000 1.053 271 V CA 2.227 64.693 62.300 0.277 0.000 1.027 271 V CB -0.709 31.293 31.823 0.297 0.000 0.646 271 V HN 0.521 nan 8.190 nan 0.000 0.447 272 E N -0.100 120.186 120.200 0.142 0.000 2.077 272 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 272 E C 2.190 178.773 176.600 -0.028 0.000 0.989 272 E CA 1.523 58.013 56.400 0.151 0.000 0.800 272 E CB -0.255 29.586 29.700 0.236 0.000 0.746 272 E HN 0.698 nan 8.360 nan 0.000 0.452 273 E N 0.624 120.771 120.200 -0.089 0.000 2.106 273 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 273 E C 2.053 178.573 176.600 -0.133 0.000 0.984 273 E CA 0.577 56.825 56.400 -0.253 0.000 0.806 273 E CB -0.058 29.308 29.700 -0.556 0.000 0.750 273 E HN -0.009 nan 8.360 nan 0.000 0.458 274 V N 0.644 120.589 119.914 0.051 0.000 2.287 274 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 274 V C 2.401 178.502 176.094 0.012 0.000 1.053 274 V CA 1.793 64.197 62.300 0.173 0.000 1.027 274 V CB -0.489 31.471 31.823 0.228 0.000 0.646 274 V HN 0.318 nan 8.190 nan 0.000 0.447 275 L N -0.466 120.681 121.223 -0.127 0.000 2.042 275 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 275 L C 2.717 179.309 176.870 -0.464 0.000 1.076 275 L CA 1.951 56.568 54.840 -0.371 0.000 0.749 275 L CB -0.588 41.072 42.059 -0.664 0.000 0.893 275 L HN 0.252 nan 8.230 nan 0.000 0.432 276 R N -0.176 120.026 120.500 -0.498 0.000 2.092 276 R HA -0.148 4.192 4.340 -0.000 0.000 0.231 276 R C 1.978 178.134 176.300 -0.240 0.000 1.119 276 R CA 1.907 57.773 56.100 -0.390 0.000 0.970 276 R CB -0.088 29.941 30.300 -0.452 0.000 0.864 276 R HN 0.482 nan 8.270 nan 0.000 0.440 277 T N -3.570 110.926 114.554 -0.096 0.000 3.054 277 T HA 0.334 4.683 4.350 -0.000 0.000 0.255 277 T C 1.654 176.491 174.700 0.228 0.000 1.035 277 T CA 0.265 62.449 62.100 0.141 0.000 0.941 277 T CB 0.724 69.714 68.868 0.204 0.000 1.026 277 T HN 0.219 nan 8.240 nan 0.000 0.533 278 A N 2.308 125.198 122.820 0.118 0.000 1.917 278 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 278 A C 1.241 178.883 177.584 0.097 0.000 1.182 278 A CA 0.906 53.007 52.037 0.108 0.000 0.633 278 A CB -0.265 18.782 19.000 0.078 0.000 0.819 278 A HN 0.583 nan 8.150 nan 0.000 0.448 279 R N -1.586 118.973 120.500 0.097 0.000 2.473 279 R HA 0.556 4.895 4.340 -0.000 0.000 0.303 279 R C -0.572 175.750 176.300 0.035 0.000 1.002 279 R CA 0.419 56.542 56.100 0.040 0.000 0.884 279 R CB 1.667 31.970 30.300 0.004 0.000 1.173 279 R HN 0.191 nan 8.270 nan 0.000 0.464 280 A N 2.666 125.393 122.820 -0.155 0.000 3.091 280 A HA 0.591 4.910 4.320 -0.000 0.000 0.264 280 A C 0.523 177.927 177.584 -0.300 0.000 1.673 280 A CA 0.294 52.015 52.037 -0.527 0.000 1.362 280 A CB -0.756 17.640 19.000 -1.007 0.000 1.137 280 A HN 0.926 nan 8.150 nan 0.000 0.617 281 G N -0.991 107.742 108.800 -0.112 0.000 2.662 281 G HA2 0.412 4.372 3.960 -0.000 0.000 0.686 281 G HA3 0.412 4.372 3.960 -0.000 0.000 0.686 281 G C 0.901 175.775 174.900 -0.044 0.000 1.271 281 G CA 0.298 45.364 45.100 -0.057 0.000 0.816 281 G HN 2.306 nan 8.290 nan 0.000 0.608 282 G N -1.439 107.349 108.800 -0.020 0.000 2.213 282 G HA2 0.060 4.020 3.960 -0.000 0.000 0.236 282 G HA3 0.060 4.020 3.960 -0.000 0.000 0.236 282 G C 0.507 175.405 174.900 -0.003 0.000 0.991 282 G CA 0.959 46.064 45.100 0.009 0.000 0.629 282 G HN 2.100 nan 8.290 nan 0.000 0.517 283 S N 0.095 115.769 115.700 -0.044 0.000 2.456 283 S HA 0.700 5.170 4.470 -0.000 0.000 0.316 283 S C -0.111 174.412 174.600 -0.129 0.000 1.089 283 S CA -0.530 57.631 58.200 -0.065 0.000 1.101 283 S CB 2.634 65.809 63.200 -0.041 0.000 0.995 283 S HN 0.660 nan 8.310 nan 0.000 0.468 284 V N 4.509 124.287 119.914 -0.228 0.000 2.513 284 V HA 0.393 4.513 4.120 -0.000 0.000 0.299 284 V C 0.226 176.202 176.094 -0.196 0.000 1.035 284 V CA -0.889 61.214 62.300 -0.327 0.000 0.889 284 V CB 1.523 32.850 31.823 -0.827 0.000 0.988 284 V HN 0.792 nan 8.190 nan 0.000 0.440 285 L N 4.915 126.059 121.223 -0.131 0.000 2.472 285 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 285 L C -1.950 174.836 176.870 -0.140 0.000 1.254 285 L CA -1.182 53.589 54.840 -0.115 0.000 0.823 285 L CB -0.163 41.820 42.059 -0.128 0.000 1.096 285 L HN 0.418 nan 8.230 nan 0.000 0.521 286 P HA 0.042 nan 4.420 nan 0.000 0.269 286 P C -2.414 174.775 177.300 -0.186 0.000 1.217 286 P CA -0.646 62.380 63.100 -0.124 0.000 0.783 286 P CB -0.166 31.464 31.700 -0.117 0.000 0.898 287 P HA 0.270 nan 4.420 nan 0.000 0.272 287 P C -0.652 176.401 177.300 -0.411 0.000 1.223 287 P CA 0.090 63.010 63.100 -0.300 0.000 0.784 287 P CB 0.746 32.303 31.700 -0.240 0.000 0.923 288 R N 1.255 121.402 120.500 -0.589 0.000 2.651 288 R HA 0.614 4.954 4.340 -0.000 0.000 0.278 288 R C -1.310 174.671 176.300 -0.532 0.000 1.010 288 R CA -0.466 55.389 56.100 -0.410 0.000 0.896 288 R CB 1.357 31.550 30.300 -0.178 0.000 1.211 288 R HN 0.425 nan 8.270 nan 0.000 0.456 289 Y N 0.656 121.013 120.300 0.095 0.000 2.492 289 Y HA 0.605 5.154 4.550 -0.000 0.000 0.346 289 Y C 0.024 175.994 175.900 0.117 0.000 0.997 289 Y CA -1.178 56.995 58.100 0.121 0.000 1.025 289 Y CB 2.234 40.798 38.460 0.173 0.000 1.263 289 Y HN 0.718 nan 8.280 nan 0.000 0.454 290 A N 0.858 123.832 122.820 0.257 0.000 2.477 290 A HA 0.335 4.654 4.320 -0.000 0.000 0.246 290 A C 0.975 178.650 177.584 0.151 0.000 1.078 290 A CA 0.369 52.505 52.037 0.166 0.000 0.770 290 A CB 0.006 19.076 19.000 0.116 0.000 1.011 290 A HN 0.943 nan 8.150 nan 0.000 0.494 291 S N 0.568 116.337 115.700 0.115 0.000 2.556 291 S HA 0.238 4.708 4.470 -0.000 0.000 0.216 291 S C 0.257 174.882 174.600 0.042 0.000 0.970 291 S CA 0.361 58.604 58.200 0.072 0.000 0.912 291 S CB -0.368 62.880 63.200 0.081 0.000 0.790 291 S HN 0.934 nan 8.310 nan 0.000 0.504 292 E N -0.272 119.958 120.200 0.049 0.000 2.401 292 E HA 0.368 4.717 4.350 -0.000 0.000 0.280 292 E C -2.168 174.456 176.600 0.041 0.000 1.039 292 E CA -1.053 55.369 56.400 0.037 0.000 0.814 292 E CB 0.101 29.821 29.700 0.033 0.000 1.275 292 E HN -0.103 nan 8.360 nan 0.000 0.448 293 D N 1.173 121.595 120.400 0.037 0.000 2.443 293 D HA 0.243 4.883 4.640 -0.000 0.000 0.239 293 D C -0.457 175.860 176.300 0.028 0.000 1.136 293 D CA 0.788 54.810 54.000 0.038 0.000 0.879 293 D CB 0.531 41.353 40.800 0.036 0.000 1.195 293 D HN 0.349 nan 8.370 nan 0.000 0.443 294 M N 1.499 121.108 119.600 0.014 0.000 2.324 294 M HA 0.167 4.647 4.480 -0.000 0.000 0.288 294 M C -0.739 175.561 176.300 -0.000 0.000 1.097 294 M CA -0.779 54.529 55.300 0.014 0.000 0.928 294 M CB 2.579 35.178 32.600 -0.001 0.000 1.648 294 M HN 0.081 nan 8.290 nan 0.000 0.460 295 E N 2.852 123.065 120.200 0.022 0.000 2.229 295 E HA 0.432 4.782 4.350 -0.000 0.000 0.283 295 E C -1.525 175.121 176.600 0.077 0.000 1.030 295 E CA -0.027 56.379 56.400 0.010 0.000 0.836 295 E CB 1.817 31.515 29.700 -0.003 0.000 1.068 295 E HN 0.493 nan 8.360 nan 0.000 0.401 296 F N 0.283 120.135 119.950 -0.163 0.000 2.630 296 F HA 0.364 4.891 4.527 -0.001 0.000 0.325 296 F C 0.627 176.326 175.800 -0.168 0.000 1.184 296 F CA 0.110 58.019 58.000 -0.152 0.000 1.011 296 F CB 1.515 40.410 39.000 -0.174 0.000 1.268 296 F HN 0.598 nan 8.300 nan 0.000 0.480 297 G N 2.985 111.459 108.800 -0.544 0.000 2.160 297 G HA2 0.109 4.069 3.960 -0.000 0.000 0.251 297 G HA3 0.109 4.069 3.960 -0.000 0.000 0.251 297 G C 1.082 175.873 174.900 -0.182 0.000 1.008 297 G CA 0.815 45.673 45.100 -0.404 0.000 0.724 297 G HN 2.291 nan 8.290 nan 0.000 0.514 298 G N -3.205 105.507 108.800 -0.147 0.000 2.201 298 G HA2 0.178 4.138 3.960 -0.000 0.000 0.212 298 G HA3 0.178 4.138 3.960 -0.000 0.000 0.212 298 G C 0.828 175.694 174.900 -0.057 0.000 0.994 298 G CA 1.166 46.216 45.100 -0.084 0.000 0.644 298 G HN 2.313 nan 8.290 nan 0.000 0.508 299 V N -2.669 117.187 119.914 -0.097 0.000 3.158 299 V HA 0.962 5.082 4.120 -0.000 0.000 0.311 299 V C -0.112 175.895 176.094 -0.145 0.000 1.181 299 V CA -0.313 61.922 62.300 -0.109 0.000 1.054 299 V CB 1.799 33.465 31.823 -0.262 0.000 1.085 299 V HN 0.394 nan 8.190 nan 0.000 0.446 300 T N 2.852 117.350 114.554 -0.094 0.000 2.756 300 T HA 0.627 4.976 4.350 -0.000 0.000 0.290 300 T C -0.175 174.461 174.700 -0.106 0.000 0.985 300 T CA 0.032 62.094 62.100 -0.063 0.000 0.955 300 T CB 0.480 69.369 68.868 0.035 0.000 0.930 300 T HN 0.589 nan 8.240 nan 0.000 0.451 301 I N 3.524 123.956 120.570 -0.231 0.000 2.371 301 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 301 I C 0.575 176.729 176.117 0.062 0.000 1.028 301 I CA -0.705 60.481 61.300 -0.189 0.000 1.345 301 I CB 0.784 38.532 38.000 -0.418 0.000 1.407 301 I HN 0.243 nan 8.210 nan 0.000 0.501 302 R N 4.443 125.070 120.500 0.212 0.000 2.457 302 R HA 0.522 4.862 4.340 -0.000 0.000 0.284 302 R C -0.288 176.092 176.300 0.133 0.000 1.024 302 R CA -0.548 55.643 56.100 0.152 0.000 1.025 302 R CB 1.148 31.552 30.300 0.172 0.000 1.063 302 R HN 0.736 nan 8.270 nan 0.000 0.493 303 A N 1.554 124.422 122.820 0.080 0.000 2.580 303 A HA 0.338 4.658 4.320 -0.000 0.000 0.244 303 A C 1.301 178.913 177.584 0.047 0.000 1.045 303 A CA 1.221 53.289 52.037 0.051 0.000 0.761 303 A CB -0.912 18.094 19.000 0.010 0.000 0.962 303 A HN 0.964 nan 8.150 nan 0.000 0.512 304 G N 2.292 111.128 108.800 0.061 0.000 2.217 304 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 304 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 304 G C -0.038 175.050 174.900 0.314 0.000 0.990 304 G CA 0.273 45.399 45.100 0.045 0.000 0.627 304 G HN 0.846 nan 8.290 nan 0.000 0.522 305 D N 0.453 121.035 120.400 0.303 0.000 2.414 305 D HA 0.386 5.026 4.640 -0.000 0.000 0.242 305 D C 0.728 177.271 176.300 0.405 0.000 1.129 305 D CA -0.315 53.893 54.000 0.346 0.000 0.885 305 D CB 1.184 42.259 40.800 0.457 0.000 1.198 305 D HN 0.296 nan 8.370 nan 0.000 0.437 306 L N 3.130 124.530 121.223 0.294 0.000 2.418 306 L HA 0.156 4.495 4.340 -0.000 0.000 0.274 306 L C -0.919 175.953 176.870 0.002 0.000 1.135 306 L CA 0.053 54.897 54.840 0.007 0.000 0.870 306 L CB 0.597 42.645 42.059 -0.017 0.000 1.154 306 L HN 0.087 nan 8.230 nan 0.000 0.462 307 V N 6.904 126.732 119.914 -0.143 0.000 2.417 307 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 307 V C 0.148 175.975 176.094 -0.445 0.000 1.024 307 V CA -0.706 61.469 62.300 -0.209 0.000 0.861 307 V CB 1.457 33.104 31.823 -0.292 0.000 0.985 307 V HN 0.601 nan 8.190 nan 0.000 0.436 308 L N 4.775 125.764 121.223 -0.390 0.000 2.312 308 L HA 0.530 4.869 4.340 -0.000 0.000 0.281 308 L C -0.892 175.656 176.870 -0.537 0.000 1.070 308 L CA -0.170 54.445 54.840 -0.374 0.000 0.805 308 L CB 0.880 42.804 42.059 -0.225 0.000 1.174 308 L HN 0.480 nan 8.230 nan 0.000 0.434 309 F N 1.398 121.233 119.950 -0.192 0.000 2.311 309 F HA 0.217 4.743 4.527 -0.001 0.000 0.371 309 F C 0.168 175.880 175.800 -0.147 0.000 1.083 309 F CA -0.832 57.079 58.000 -0.148 0.000 1.113 309 F CB 0.781 39.671 39.000 -0.184 0.000 1.349 309 F HN 0.340 nan 8.300 nan 0.000 0.470 310 D N 4.169 124.576 120.400 0.011 0.000 2.443 310 D HA 0.236 4.876 4.640 -0.000 0.000 0.221 310 D C 0.844 177.183 176.300 0.065 0.000 1.097 310 D CA -0.087 53.905 54.000 -0.012 0.000 0.865 310 D CB 0.990 41.762 40.800 -0.046 0.000 1.034 310 D HN 0.474 nan 8.370 nan 0.000 0.511 311 L N 2.756 124.021 121.223 0.071 0.000 2.291 311 L HA 0.085 4.425 4.340 -0.000 0.000 0.214 311 L C 2.376 179.328 176.870 0.136 0.000 1.120 311 L CA 0.771 55.675 54.840 0.106 0.000 0.799 311 L CB -0.020 42.089 42.059 0.084 0.000 0.925 311 L HN 0.466 nan 8.230 nan 0.000 0.446 312 G N 0.185 109.057 108.800 0.120 0.000 2.448 312 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.219 312 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.219 312 G C 1.637 176.690 174.900 0.255 0.000 1.127 312 G CA 0.360 45.576 45.100 0.194 0.000 0.766 312 G HN 0.200 nan 8.290 nan 0.000 0.552 313 L N 0.670 122.000 121.223 0.179 0.000 2.005 313 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 313 L C 0.147 177.176 176.870 0.265 0.000 1.072 313 L CA 1.205 56.164 54.840 0.199 0.000 0.744 313 L CB -0.860 41.286 42.059 0.145 0.000 0.895 313 L HN 0.131 nan 8.230 nan 0.000 0.433 314 P HA -0.134 nan 4.420 nan 0.000 0.216 314 P C 0.866 178.455 177.300 0.481 0.000 1.150 314 P CA 1.260 64.571 63.100 0.352 0.000 0.837 314 P CB -0.122 31.721 31.700 0.238 0.000 0.786 315 N N -1.623 117.277 118.700 0.333 0.000 2.443 315 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 315 N C 0.706 176.025 175.510 -0.319 0.000 1.037 315 N CA 0.936 54.020 53.050 0.056 0.000 0.896 315 N CB -0.524 37.969 38.487 0.010 0.000 0.959 315 N HN 0.249 nan 8.380 nan 0.000 0.442 316 F N -0.328 119.662 119.950 0.066 0.000 2.683 316 F HA 0.184 4.710 4.527 -0.001 0.000 0.306 316 F C 0.432 176.327 175.800 0.159 0.000 1.102 316 F CA -0.901 57.130 58.000 0.051 0.000 1.244 316 F CB 0.456 39.470 39.000 0.024 0.000 1.029 316 F HN -0.252 nan 8.300 nan 0.000 0.545 317 D N 1.986 122.603 120.400 0.361 0.000 2.358 317 D HA -0.044 4.596 4.640 -0.000 0.000 0.258 317 D C 1.368 177.816 176.300 0.246 0.000 1.223 317 D CA 0.228 54.400 54.000 0.287 0.000 0.886 317 D CB 0.770 41.743 40.800 0.288 0.000 1.120 317 D HN 0.571 nan 8.370 nan 0.000 0.482 318 E N 3.409 123.714 120.200 0.174 0.000 2.409 318 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 318 E C 1.110 177.741 176.600 0.051 0.000 1.024 318 E CA 0.510 56.984 56.400 0.123 0.000 0.861 318 E CB -0.005 29.755 29.700 0.099 0.000 0.788 318 E HN 0.431 nan 8.360 nan 0.000 0.521 319 R N 0.492 121.014 120.500 0.037 0.000 2.189 319 R HA 0.026 4.365 4.340 -0.000 0.000 0.218 319 R C 2.056 178.265 176.300 -0.151 0.000 1.074 319 R CA 1.252 57.335 56.100 -0.028 0.000 0.991 319 R CB -0.015 30.287 30.300 0.003 0.000 0.883 319 R HN 0.277 nan 8.270 nan 0.000 0.457 320 A N -0.239 122.426 122.820 -0.258 0.000 2.108 320 A HA 0.258 4.578 4.320 -0.000 0.000 0.206 320 A C 0.052 177.051 177.584 -0.975 0.000 1.212 320 A CA 0.122 51.722 52.037 -0.729 0.000 0.843 320 A CB 0.549 18.785 19.000 -1.273 0.000 0.902 320 A HN 0.094 nan 8.150 nan 0.000 0.477 321 F N 0.160 120.029 119.950 -0.136 0.000 2.547 321 F HA 0.410 4.936 4.527 -0.000 0.000 0.316 321 F C 0.095 175.851 175.800 -0.073 0.000 1.121 321 F CA -0.735 57.197 58.000 -0.113 0.000 0.911 321 F CB 1.631 40.549 39.000 -0.137 0.000 1.179 321 F HN -0.245 nan 8.300 nan 0.000 0.443 322 T N 1.832 116.436 114.554 0.083 0.000 2.888 322 T HA 0.384 4.734 4.350 -0.000 0.000 0.301 322 T C 0.772 175.512 174.700 0.067 0.000 1.001 322 T CA 0.479 62.612 62.100 0.054 0.000 1.147 322 T CB 0.521 69.402 68.868 0.022 0.000 0.931 322 T HN 1.139 nan 8.240 nan 0.000 0.541 323 G N 5.768 114.604 108.800 0.060 0.000 2.359 323 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.298 323 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.298 323 G C -0.975 173.950 174.900 0.042 0.000 1.030 323 G CA -0.205 44.926 45.100 0.052 0.000 1.149 323 G HN 0.605 nan 8.290 nan 0.000 0.512 324 P HA -0.084 nan 4.420 nan 0.000 0.220 324 P C 1.135 178.442 177.300 0.011 0.000 1.148 324 P CA 1.241 64.319 63.100 -0.036 0.000 0.803 324 P CB 0.239 31.973 31.700 0.057 0.000 0.782 325 E N -0.013 120.290 120.200 0.171 0.000 2.502 325 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 325 E C 0.124 176.825 176.600 0.168 0.000 1.062 325 E CA 0.170 56.721 56.400 0.251 0.000 0.867 325 E CB -0.043 29.776 29.700 0.198 0.000 0.888 325 E HN 0.553 nan 8.360 nan 0.000 0.510 326 E N 0.852 121.101 120.200 0.082 0.000 2.175 326 E HA 0.166 4.516 4.350 -0.000 0.000 0.278 326 E C -0.926 175.675 176.600 0.001 0.000 0.969 326 E CA -0.638 55.801 56.400 0.065 0.000 0.796 326 E CB 1.080 30.802 29.700 0.036 0.000 1.104 326 E HN -0.012 nan 8.360 nan 0.000 0.395 327 F N 3.603 123.454 119.950 -0.165 0.000 2.462 327 F HA 0.094 4.621 4.527 -0.000 0.000 0.360 327 F C -0.188 175.467 175.800 -0.242 0.000 1.134 327 F CA -0.310 57.502 58.000 -0.312 0.000 1.148 327 F CB 0.382 38.938 39.000 -0.740 0.000 1.147 327 F HN 0.275 nan 8.300 nan 0.000 0.550 328 D N 5.252 125.289 120.400 -0.604 0.000 2.446 328 D HA 0.328 4.968 4.640 -0.000 0.000 0.251 328 D C 0.726 176.716 176.300 -0.516 0.000 1.137 328 D CA -0.131 53.630 54.000 -0.397 0.000 0.890 328 D CB 1.480 42.158 40.800 -0.202 0.000 1.071 328 D HN 0.608 nan 8.370 nan 0.000 0.528 329 A N 3.116 125.645 122.820 -0.485 0.000 2.076 329 A HA 0.045 4.365 4.320 -0.000 0.000 0.220 329 A C 1.680 179.147 177.584 -0.196 0.000 1.160 329 A CA 1.610 53.426 52.037 -0.369 0.000 0.653 329 A CB -0.071 18.850 19.000 -0.132 0.000 0.801 329 A HN 0.556 nan 8.150 nan 0.000 0.455 330 A N -1.099 121.634 122.820 -0.145 0.000 2.465 330 A HA 0.340 4.660 4.320 -0.000 0.000 0.255 330 A C 0.938 178.481 177.584 -0.069 0.000 1.274 330 A CA -0.365 51.625 52.037 -0.078 0.000 0.920 330 A CB -0.273 18.700 19.000 -0.045 0.000 1.033 330 A HN 0.436 nan 8.150 nan 0.000 0.516 331 R N 0.615 121.052 120.500 -0.104 0.000 2.537 331 R HA 0.236 4.576 4.340 -0.000 0.000 0.281 331 R C -0.716 175.574 176.300 -0.017 0.000 0.988 331 R CA 1.162 57.224 56.100 -0.064 0.000 1.077 331 R CB 0.108 30.352 30.300 -0.092 0.000 0.932 331 R HN 0.192 nan 8.270 nan 0.000 0.409 332 T N 5.464 120.018 114.554 0.000 0.000 3.041 332 T HA 0.407 4.756 4.350 -0.000 0.000 0.321 332 T C -2.327 172.376 174.700 0.006 0.000 1.184 332 T CA -1.257 60.850 62.100 0.013 0.000 1.050 332 T CB 1.151 70.023 68.868 0.007 0.000 1.159 332 T HN 0.667 nan 8.240 nan 0.000 0.469 333 P HA 0.463 nan 4.420 nan 0.000 0.277 333 P C -0.996 176.341 177.300 0.061 0.000 1.276 333 P CA -0.525 62.585 63.100 0.017 0.000 0.788 333 P CB 0.591 32.283 31.700 -0.012 0.000 1.114 334 N N 0.542 119.304 118.700 0.103 0.000 2.725 334 N HA 0.165 4.905 4.740 -0.000 0.000 0.248 334 N C -2.489 173.170 175.510 0.249 0.000 1.402 334 N CA -1.316 51.879 53.050 0.243 0.000 0.766 334 N CB 0.733 39.354 38.487 0.223 0.000 1.223 334 N HN 0.191 nan 8.380 nan 0.000 0.515 335 P HA 0.105 nan 4.420 nan 0.000 0.226 335 P C -0.223 177.298 177.300 0.369 0.000 1.758 335 P CA -0.200 62.973 63.100 0.122 0.000 0.896 335 P CB -0.969 30.706 31.700 -0.043 0.000 1.784 336 H N -0.865 118.502 119.070 0.494 0.000 2.822 336 H HA 0.128 4.684 4.556 -0.000 0.000 0.373 336 H C 0.469 175.978 175.328 0.303 0.000 1.223 336 H CA -0.398 55.895 56.048 0.409 0.000 1.436 336 H CB 0.431 30.265 29.762 0.119 0.000 1.439 336 H HN 0.005 nan 8.280 nan 0.000 0.618 337 L N 1.793 123.244 121.223 0.381 0.000 3.110 337 L HA 0.135 4.475 4.340 -0.000 0.000 0.266 337 L C 1.034 178.068 176.870 0.274 0.000 1.257 337 L CA -0.064 54.929 54.840 0.255 0.000 1.038 337 L CB 0.139 42.265 42.059 0.112 0.000 1.395 337 L HN 0.808 nan 8.230 nan 0.000 0.566 338 T N -0.128 114.661 114.554 0.390 0.000 2.915 338 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 338 T C 1.094 175.735 174.700 -0.098 0.000 1.071 338 T CA 1.360 63.480 62.100 0.034 0.000 1.132 338 T CB -0.201 68.520 68.868 -0.246 0.000 0.878 338 T HN 0.151 nan 8.240 nan 0.000 0.479 339 F N 1.573 121.661 119.950 0.230 0.000 2.693 339 F HA 0.419 4.946 4.527 0.000 0.000 0.303 339 F C 1.781 177.602 175.800 0.035 0.000 1.143 339 F CA -0.476 57.559 58.000 0.059 0.000 1.389 339 F CB -1.011 37.990 39.000 0.000 0.000 1.060 339 F HN 0.264 nan 8.300 nan 0.000 0.535 340 G N -0.021 108.930 108.800 0.251 0.000 2.601 340 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.252 340 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.252 340 G C -0.643 174.492 174.900 0.391 0.000 1.294 340 G CA -0.045 45.194 45.100 0.233 0.000 0.912 340 G HN 0.527 nan 8.290 nan 0.000 0.574 341 H N -1.235 117.942 119.070 0.179 0.000 2.969 341 H HA 0.459 5.015 4.556 -0.000 0.000 0.304 341 H C 1.022 176.290 175.328 -0.099 0.000 1.400 341 H CA 0.819 56.922 56.048 0.092 0.000 1.182 341 H CB 1.044 30.838 29.762 0.054 0.000 1.865 341 H HN 2.472 nan 8.280 nan 0.000 0.512 342 G N 1.709 110.128 108.800 -0.635 0.000 2.629 342 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.313 342 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.313 342 G C 1.307 175.898 174.900 -0.516 0.000 1.217 342 G CA 1.372 45.874 45.100 -0.995 0.000 0.994 342 G HN 0.868 nan 8.290 nan 0.000 0.549 343 I N -2.682 117.568 120.570 -0.533 0.000 2.928 343 I HA 0.236 4.406 4.170 -0.000 0.000 0.266 343 I C 1.889 177.691 176.117 -0.524 0.000 1.234 343 I CA 1.283 62.230 61.300 -0.587 0.000 1.483 343 I CB -0.253 37.313 38.000 -0.723 0.000 1.097 343 I HN 0.414 nan 8.210 nan 0.000 0.455 344 W N 1.484 122.756 121.300 -0.047 0.000 3.194 344 W HA 0.302 4.962 4.660 -0.000 0.000 0.408 344 W C 0.914 177.428 176.519 -0.008 0.000 1.072 344 W CA -0.636 56.689 57.345 -0.033 0.000 1.953 344 W CB -0.376 28.975 29.460 -0.182 0.000 1.091 344 W HN 0.097 nan 8.180 nan 0.000 0.699 345 H N 1.026 120.111 119.070 0.024 0.000 2.683 345 H HA 0.067 4.622 4.556 -0.001 0.000 0.339 345 H C 0.451 175.794 175.328 0.025 0.000 1.081 345 H CA -0.174 55.881 56.048 0.013 0.000 1.432 345 H CB 1.318 31.016 29.762 -0.108 0.000 1.462 345 H HN -0.007 nan 8.280 nan 0.000 0.557 346 C N 7.644 126.610 119.300 -0.557 0.000 2.531 346 C HA -0.002 4.458 4.460 -0.000 0.000 0.401 346 C C 2.080 176.769 174.990 -0.502 0.000 1.473 346 C CA -0.363 58.413 59.018 -0.403 0.000 1.472 346 C CB -2.214 25.410 27.740 -0.193 0.000 2.429 346 C HN 0.847 nan 8.230 nan 0.000 0.620 347 I N 4.738 125.115 120.570 -0.322 0.000 2.546 347 I HA -0.003 4.167 4.170 -0.000 0.000 0.255 347 I C 2.353 178.017 176.117 -0.756 0.000 1.163 347 I CA 1.521 62.604 61.300 -0.361 0.000 1.457 347 I CB -0.365 37.500 38.000 -0.226 0.000 1.092 347 I HN 0.921 nan 8.210 nan 0.000 0.434 348 G N 0.256 108.563 108.800 -0.822 0.000 2.920 348 G HA2 0.070 4.030 3.960 -0.000 0.000 0.208 348 G HA3 0.070 4.030 3.960 -0.000 0.000 0.208 348 G C 1.766 176.341 174.900 -0.542 0.000 1.159 348 G CA 0.569 45.099 45.100 -0.949 0.000 0.784 348 G HN 0.418 nan 8.290 nan 0.000 0.535 349 A N 2.052 124.486 122.820 -0.642 0.000 1.903 349 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 349 A C 0.713 177.993 177.584 -0.507 0.000 1.191 349 A CA 1.899 53.342 52.037 -0.991 0.000 0.638 349 A CB -1.075 17.058 19.000 -1.445 0.000 0.823 349 A HN 0.370 nan 8.150 nan 0.000 0.451 350 P HA -0.118 nan 4.420 nan 0.000 0.217 350 P C 1.644 178.942 177.300 -0.003 0.000 1.150 350 P CA 0.822 63.879 63.100 -0.073 0.000 0.832 350 P CB -0.103 31.608 31.700 0.018 0.000 0.787 351 L N -0.126 121.118 121.223 0.034 0.000 2.056 351 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 351 L C 2.259 179.150 176.870 0.035 0.000 1.078 351 L CA 1.994 56.881 54.840 0.079 0.000 0.749 351 L CB -1.632 40.544 42.059 0.193 0.000 0.901 351 L HN -0.120 nan 8.230 nan 0.000 0.433 352 A N -0.379 122.446 122.820 0.008 0.000 1.908 352 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 352 A C 2.440 180.110 177.584 0.143 0.000 1.181 352 A CA 1.927 54.021 52.037 0.096 0.000 0.627 352 A CB -0.577 18.574 19.000 0.251 0.000 0.818 352 A HN 0.499 nan 8.150 nan 0.000 0.445 353 R N -1.248 119.339 120.500 0.146 0.000 2.091 353 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 353 R C 2.151 178.518 176.300 0.110 0.000 1.136 353 R CA 1.498 57.701 56.100 0.172 0.000 0.959 353 R CB -0.573 29.818 30.300 0.151 0.000 0.856 353 R HN 0.511 nan 8.270 nan 0.000 0.437 354 L N 1.661 122.934 121.223 0.082 0.000 2.012 354 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 354 L C 1.727 178.650 176.870 0.088 0.000 1.073 354 L CA 1.870 56.756 54.840 0.077 0.000 0.748 354 L CB -0.352 41.748 42.059 0.067 0.000 0.891 354 L HN 0.154 nan 8.230 nan 0.000 0.431 355 E N -0.533 119.715 120.200 0.080 0.000 2.077 355 E HA -0.230 4.119 4.350 -0.000 0.000 0.193 355 E C 2.240 178.903 176.600 0.104 0.000 0.989 355 E CA 1.605 58.095 56.400 0.150 0.000 0.800 355 E CB -0.308 29.386 29.700 -0.009 0.000 0.746 355 E HN 0.526 nan 8.360 nan 0.000 0.452 356 L N 0.541 121.738 121.223 -0.045 0.000 2.005 356 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 356 L C 2.653 179.335 176.870 -0.313 0.000 1.072 356 L CA 1.260 55.890 54.840 -0.350 0.000 0.744 356 L CB -0.410 41.532 42.059 -0.194 0.000 0.895 356 L HN 0.020 nan 8.230 nan 0.000 0.433 357 R N -0.514 119.975 120.500 -0.018 0.000 2.096 357 R HA -0.204 4.135 4.340 -0.000 0.000 0.240 357 R C 2.453 178.784 176.300 0.050 0.000 1.139 357 R CA 2.108 58.260 56.100 0.087 0.000 0.952 357 R CB -0.858 29.506 30.300 0.107 0.000 0.854 357 R HN 0.480 nan 8.270 nan 0.000 0.436 358 T N -0.235 114.335 114.554 0.027 0.000 2.777 358 T HA -0.172 4.177 4.350 -0.000 0.000 0.266 358 T C 1.832 176.482 174.700 -0.083 0.000 1.040 358 T CA 1.425 63.531 62.100 0.011 0.000 1.141 358 T CB -0.016 68.881 68.868 0.049 0.000 0.868 358 T HN 0.075 nan 8.240 nan 0.000 0.444 359 M N 0.028 119.518 119.600 -0.183 0.000 2.200 359 M HA 0.201 4.681 4.480 -0.000 0.000 0.265 359 M C 1.488 177.724 176.300 -0.106 0.000 1.066 359 M CA 1.312 56.423 55.300 -0.314 0.000 1.127 359 M CB -0.674 31.633 32.600 -0.490 0.000 1.379 359 M HN 0.302 nan 8.290 nan 0.000 0.420 360 F N -0.094 119.880 119.950 0.041 0.000 2.134 360 F HA -0.119 4.408 4.527 0.001 0.000 0.299 360 F C 2.398 178.296 175.800 0.164 0.000 1.097 360 F CA 1.639 59.733 58.000 0.157 0.000 1.264 360 F CB -1.908 37.227 39.000 0.225 0.000 1.001 360 F HN 0.145 nan 8.300 nan 0.000 0.479 361 T N 0.226 114.943 114.554 0.273 0.000 2.684 361 T HA -0.217 4.132 4.350 -0.000 0.000 0.267 361 T C 1.978 176.734 174.700 0.093 0.000 1.036 361 T CA 1.762 63.965 62.100 0.173 0.000 1.148 361 T CB -0.257 68.678 68.868 0.111 0.000 0.863 361 T HN 0.229 nan 8.240 nan 0.000 0.436 362 K N 0.488 120.893 120.400 0.007 0.000 2.116 362 K HA 0.164 4.484 4.320 -0.000 0.000 0.203 362 K C 2.337 178.871 176.600 -0.110 0.000 1.052 362 K CA 0.624 56.874 56.287 -0.061 0.000 0.952 362 K CB -0.282 32.144 32.500 -0.122 0.000 0.729 362 K HN 0.225 nan 8.250 nan 0.000 0.446 363 L N -0.141 120.984 121.223 -0.163 0.000 1.989 363 L HA -0.177 4.162 4.340 -0.000 0.000 0.211 363 L C 2.034 178.703 176.870 -0.334 0.000 1.071 363 L CA 1.484 56.124 54.840 -0.333 0.000 0.749 363 L CB -0.255 41.497 42.059 -0.512 0.000 0.890 363 L HN 0.103 nan 8.230 nan 0.000 0.431 364 F N -1.157 118.792 119.950 -0.001 0.000 2.710 364 F HA -0.069 4.458 4.527 -0.001 0.000 0.298 364 F C 2.429 178.228 175.800 -0.001 0.000 1.137 364 F CA 0.723 58.724 58.000 0.002 0.000 1.444 364 F CB -0.704 38.309 39.000 0.020 0.000 1.111 364 F HN -0.014 nan 8.300 nan 0.000 0.580 365 T N -0.369 114.256 114.554 0.118 0.000 2.809 365 T HA -0.065 4.284 4.350 -0.000 0.000 0.260 365 T C 2.156 176.866 174.700 0.017 0.000 1.039 365 T CA 0.981 63.121 62.100 0.066 0.000 1.141 365 T CB -0.046 68.849 68.868 0.045 0.000 0.869 365 T HN 0.153 nan 8.240 nan 0.000 0.437 366 R N 0.548 121.024 120.500 -0.039 0.000 2.119 366 R HA 0.160 4.499 4.340 -0.000 0.000 0.222 366 R C 0.366 176.606 176.300 -0.101 0.000 1.088 366 R CA 0.755 56.810 56.100 -0.074 0.000 0.984 366 R CB -0.126 30.103 30.300 -0.119 0.000 0.884 366 R HN 0.342 nan 8.270 nan 0.000 0.447 367 L N 1.830 122.970 121.223 -0.137 0.000 2.556 367 L HA 0.286 4.626 4.340 -0.000 0.000 0.243 367 L C -1.862 175.020 176.870 0.020 0.000 1.331 367 L CA -1.500 53.252 54.840 -0.146 0.000 0.927 367 L CB 1.676 43.478 42.059 -0.427 0.000 1.219 367 L HN -0.174 nan 8.230 nan 0.000 0.490 368 P HA -0.162 nan 4.420 nan 0.000 0.221 368 P C 0.688 178.122 177.300 0.222 0.000 1.145 368 P CA 1.274 64.484 63.100 0.182 0.000 0.795 368 P CB 0.450 32.222 31.700 0.121 0.000 0.775 369 E N -0.762 119.558 120.200 0.200 0.000 2.476 369 E HA 0.123 4.473 4.350 -0.000 0.000 0.196 369 E C 0.709 177.455 176.600 0.242 0.000 1.029 369 E CA -0.621 55.898 56.400 0.198 0.000 0.896 369 E CB -0.259 29.541 29.700 0.166 0.000 1.012 369 E HN 0.294 nan 8.360 nan 0.000 0.475 370 L N 3.020 124.403 121.223 0.267 0.000 2.490 370 L HA 0.047 4.387 4.340 -0.000 0.000 0.274 370 L C 0.242 177.276 176.870 0.274 0.000 1.201 370 L CA 0.287 55.280 54.840 0.254 0.000 0.869 370 L CB 0.240 42.305 42.059 0.011 0.000 1.123 370 L HN 0.006 nan 8.230 nan 0.000 0.484 371 R N 3.458 124.088 120.500 0.215 0.000 2.716 371 R HA 0.573 4.913 4.340 -0.000 0.000 0.271 371 R C -3.206 173.160 176.300 0.110 0.000 1.028 371 R CA -1.942 54.251 56.100 0.155 0.000 0.883 371 R CB 0.683 31.048 30.300 0.107 0.000 1.250 371 R HN 0.260 nan 8.270 nan 0.000 0.465 372 P HA 0.115 nan 4.420 nan 0.000 0.271 372 P C 0.137 177.450 177.300 0.020 0.000 1.218 372 P CA -0.068 63.044 63.100 0.021 0.000 0.780 372 P CB 0.897 32.584 31.700 -0.021 0.000 0.901 373 E N 2.672 122.879 120.200 0.013 0.000 2.047 373 E HA -0.092 4.257 4.350 -0.000 0.000 0.191 373 E C 0.143 176.742 176.600 -0.002 0.000 0.987 373 E CA 0.674 57.075 56.400 0.002 0.000 0.799 373 E CB -0.135 29.563 29.700 -0.005 0.000 0.752 373 E HN 0.323 nan 8.360 nan 0.000 0.449 374 L N 2.358 123.581 121.223 -0.002 0.000 2.417 374 L HA 0.262 4.602 4.340 -0.000 0.000 0.268 374 L C -1.977 174.895 176.870 0.004 0.000 1.158 374 L CA -2.144 52.698 54.840 0.004 0.000 0.819 374 L CB 0.139 42.207 42.059 0.014 0.000 1.112 374 L HN 0.132 nan 8.230 nan 0.000 0.458 375 P HA 0.088 nan 4.420 nan 0.000 0.274 375 P C 0.906 178.214 177.300 0.013 0.000 1.246 375 P CA -0.569 62.532 63.100 0.002 0.000 0.795 375 P CB 0.707 32.406 31.700 -0.003 0.000 1.006 376 V N 0.509 120.430 119.914 0.011 0.000 2.317 376 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 376 V C 2.915 179.031 176.094 0.036 0.000 1.065 376 V CA 2.882 65.200 62.300 0.030 0.000 1.049 376 V CB -2.240 29.593 31.823 0.017 0.000 0.651 376 V HN 0.722 nan 8.190 nan 0.000 0.450 377 E N -0.497 119.714 120.200 0.018 0.000 2.097 377 E HA -0.348 4.002 4.350 -0.000 0.000 0.196 377 E C 2.062 178.675 176.600 0.022 0.000 1.000 377 E CA 2.131 58.540 56.400 0.015 0.000 0.804 377 E CB -0.838 28.866 29.700 0.006 0.000 0.740 377 E HN 0.667 nan 8.360 nan 0.000 0.454 378 Q N -1.059 118.756 119.800 0.026 0.000 2.096 378 Q HA 0.094 4.434 4.340 -0.000 0.000 0.197 378 Q C 2.463 178.496 176.000 0.054 0.000 0.964 378 Q CA 0.916 56.737 55.803 0.029 0.000 0.838 378 Q CB -0.483 28.268 28.738 0.022 0.000 0.906 378 Q HN 0.604 nan 8.270 nan 0.000 0.444 379 L N 1.285 122.555 121.223 0.078 0.000 2.013 379 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 379 L C 2.449 179.428 176.870 0.182 0.000 1.073 379 L CA 2.078 57.013 54.840 0.159 0.000 0.753 379 L CB -0.884 41.275 42.059 0.167 0.000 0.890 379 L HN 0.268 nan 8.230 nan 0.000 0.432 380 R N -0.898 119.665 120.500 0.105 0.000 2.154 380 R HA -0.166 4.174 4.340 -0.000 0.000 0.248 380 R C 0.534 176.835 176.300 0.003 0.000 1.155 380 R CA 1.065 57.186 56.100 0.035 0.000 0.979 380 R CB -0.151 30.158 30.300 0.015 0.000 0.869 380 R HN 0.314 nan 8.270 nan 0.000 0.452 391 A N 2.023 124.791 122.820 -0.087 0.000 1.968 391 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 391 A C 0.511 178.050 177.584 -0.076 0.000 1.169 391 A CA 1.799 53.781 52.037 -0.092 0.000 0.638 391 A CB -0.195 18.798 19.000 -0.012 0.000 0.812 391 A HN 0.742 nan 8.150 nan 0.000 0.446 392 E N -2.215 117.974 120.200 -0.018 0.000 2.388 392 E HA 0.522 4.872 4.350 -0.000 0.000 0.280 392 E C -1.816 174.786 176.600 0.003 0.000 1.019 392 E CA -0.909 55.516 56.400 0.043 0.000 0.806 392 E CB 0.835 30.580 29.700 0.074 0.000 1.246 392 E HN 0.176 nan 8.360 nan 0.000 0.443 393 L N 1.950 123.166 121.223 -0.011 0.000 2.471 393 L HA 0.452 4.791 4.340 -0.000 0.000 0.263 393 L C -1.228 175.630 176.870 -0.021 0.000 0.985 393 L CA -0.390 54.350 54.840 -0.167 0.000 0.868 393 L CB 1.241 43.075 42.059 -0.374 0.000 1.203 393 L HN 0.583 nan 8.230 nan 0.000 0.429 394 R N 3.940 124.439 120.500 -0.001 0.000 2.308 394 R HA 0.703 5.043 4.340 -0.000 0.000 0.305 394 R C -0.533 175.809 176.300 0.069 0.000 1.053 394 R CA -0.497 55.639 56.100 0.061 0.000 0.957 394 R CB 1.511 31.832 30.300 0.035 0.000 1.022 394 R HN 0.526 nan 8.270 nan 0.000 0.461 395 V N -0.049 119.962 119.914 0.162 0.000 3.001 395 V HA 0.774 4.894 4.120 -0.000 0.000 0.314 395 V C 0.071 176.275 176.094 0.184 0.000 1.099 395 V CA -0.960 61.458 62.300 0.196 0.000 0.989 395 V CB 1.923 33.921 31.823 0.290 0.000 1.040 395 V HN 0.547 nan 8.190 nan 0.000 0.434 396 V N -0.066 119.933 119.914 0.141 0.000 3.113 396 V HA 1.004 5.123 4.120 -0.000 0.000 0.316 396 V C -0.683 175.551 176.094 0.233 0.000 1.125 396 V CA -0.526 61.756 62.300 -0.030 0.000 1.026 396 V CB 1.440 33.195 31.823 -0.114 0.000 1.080 396 V HN 1.646 nan 8.190 nan 0.000 0.444 397 W N 0.000 121.297 121.300 -0.004 0.000 2.388 397 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 397 W CA 0.000 57.349 57.345 0.007 0.000 1.226 397 W CB 0.000 29.465 29.460 0.008 0.000 1.126 397 W HN 0.000 nan 8.180 nan 0.000 0.535