#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs8 s LYS 2 N 0.00 0.96 -0.40 -0.52 2.20 -1.26 -5.12 119.74 115.60 1vs8 s LYS 2 Ca 0.00 -0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 54.44 1vs8 s LYS 2 Cb 0.00 -1.04 0.01 0.00 -1.51 0.00 0.00 37.83 35.29 1vs8 s LYS 2 CO 0.00 0.24 0.58 0.42 -0.36 0.00 0.00 175.35 176.23 1vs8 s ILE 3 N -1.13 4.92 -0.44 5.43 -1.09 -1.26 -5.03 121.20 122.60 1vs8 s ILE 3 Ca 0.01 0.19 -0.22 0.00 -2.23 0.00 0.00 60.65 58.41 1vs8 s ILE 3 Cb -0.10 -4.10 0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1vs8 s ILE 3 CO 0.03 -0.42 0.71 -0.54 -1.23 0.00 0.00 174.94 173.48 1vs8 s LYS 4 N 2.60 3.34 -0.93 2.79 -0.14 -1.26 -4.94 119.74 121.20 1vs8 s LYS 4 Ca 0.20 -0.24 -0.22 0.00 -1.36 0.00 0.00 55.97 54.35 1vs8 s LYS 4 Cb -0.15 -3.94 -0.24 0.00 -1.68 0.00 0.00 37.83 31.82 1vs8 s LYS 4 CO 0.16 -1.06 2.46 -2.37 -0.76 0.00 0.00 175.35 173.78 1vs8 n THR 5 N 5.98 -0.01 0.13 2.17 5.66 -1.05 -4.67 114.28 122.49 1vs8 n THR 5 Ca 0.00 -0.30 0.08 0.00 -3.05 0.00 0.00 64.05 60.78 1vs8 n THR 5 Cb 0.48 -0.70 0.41 0.00 -1.55 0.00 0.00 70.33 68.97 1vs8 n THR 5 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1vs8 n VAL 6 N 6.97 1.01 0.14 1.08 0.24 -1.26 -0.61 118.33 125.89 1vs8 n VAL 6 Ca 0.62 0.70 -0.24 0.00 -2.04 0.00 0.00 64.34 63.38 1vs8 n VAL 6 Cb 0.16 -1.70 -0.16 0.00 -1.47 0.00 0.00 33.84 30.67 1vs8 n VAL 6 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1vs8 h ARG 7 N 0.00 0.50 -0.02 7.34 9.65 -1.99 -2.81 114.38 127.05 1vs8 h ARG 7 Ca 0.00 -0.86 -0.15 0.00 -1.10 0.00 0.00 59.98 57.88 1vs8 h ARG 7 Cb 0.23 0.32 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1vs8 h ARG 7 CO 0.00 1.41 -0.66 0.78 2.80 0.00 0.00 179.97 184.30 1vs8 h GLY 8 N 0.37 0.10 2.00 2.80 0.00 -1.20 -2.86 103.07 104.28 1vs8 h GLY 8 Ca -0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1vs8 h GLY 8 CO 0.26 0.12 -0.25 0.00 0.00 0.00 0.00 176.54 176.67 1vs8 h ALA 9 N 1.26 1.11 -3.00 3.60 0.00 -1.40 -3.40 119.26 117.44 1vs8 h ALA 9 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1vs8 h ALA 9 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1vs8 h ALA 9 CO 0.09 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1vs8 n ALA 10 N -2.28 0.00 -1.43 0.00 0.00 -1.06 -4.77 120.51 110.97 1vs8 n ALA 10 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.95 1vs8 n ALA 10 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 1vs8 n ALA 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vs8 n LYS 11 N 0.00 0.43 -1.37 0.00 2.85 -1.23 -4.55 118.16 114.29 1vs8 n LYS 11 Ca 0.00 0.08 0.18 0.00 -1.05 0.00 0.00 58.31 57.51 1vs8 n LYS 11 Cb 0.00 -2.02 -0.06 0.00 -0.65 0.00 0.00 35.03 32.30 1vs8 n LYS 11 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1vs8 n ARG 12 N 8.23 -2.94 -0.14 -1.58 1.74 -1.26 -4.88 116.66 115.82 1vs8 n ARG 12 Ca 0.53 2.16 0.00 0.00 -0.77 0.00 0.00 57.85 59.77 1vs8 n ARG 12 Cb 0.13 -3.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.05 1vs8 n ARG 12 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1vs8 n PHE 13 N -4.20 0.00 -3.65 -1.55 0.99 0.74 -4.64 117.46 105.15 1vs8 n PHE 13 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.41 1vs8 n PHE 13 Cb 0.64 -1.30 -0.07 0.00 -1.00 0.00 0.00 39.48 37.75 1vs8 n PHE 13 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1vs8 s LYS 14 N -3.79 0.08 0.20 -1.08 2.20 -1.24 -4.88 119.74 111.23 1vs8 s LYS 14 Ca 0.00 0.11 -0.32 0.00 -0.36 0.00 0.00 55.97 55.39 1vs8 s LYS 14 Cb 0.00 0.03 -0.14 0.00 -1.51 0.00 0.00 37.83 36.21 1vs8 s LYS 14 CO 0.00 -0.01 1.42 1.63 -0.36 0.00 0.00 175.35 178.03 1vs8 n LYS 15 N 2.29 1.91 -0.27 4.03 4.76 -1.26 -3.12 118.16 126.51 1vs8 n LYS 15 Ca -0.13 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1vs8 n LYS 15 Cb 0.57 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 1vs8 n LYS 15 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1vs8 n THR 16 N 2.32 0.00 -0.12 -0.18 -2.24 -0.97 -4.94 114.28 108.14 1vs8 n THR 16 Ca 0.14 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1vs8 n THR 16 Cb 0.29 -1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 67.42 1vs8 n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1vs8 h GLY 17 N 0.00 0.67 0.41 3.38 0.00 -1.94 -3.31 103.07 102.28 1vs8 h GLY 17 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 1vs8 h GLY 17 CO 0.00 0.45 -0.64 0.50 0.00 0.00 0.00 176.54 176.84 1vs8 h LYS 18 N 0.44 0.18 0.00 4.80 1.79 -2.01 -3.48 116.57 118.29 1vs8 h LYS 18 Ca 0.10 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1vs8 h LYS 18 Cb 0.44 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1vs8 h LYS 18 CO 0.02 1.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.94 1vs8 n GLY 19 N 1.64 -0.67 0.00 3.86 0.00 -1.25 -5.16 105.19 103.62 1vs8 n GLY 19 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1vs8 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs8 n GLY 20 N 0.00 -0.77 2.77 -0.02 0.00 -1.26 -4.65 105.19 101.26 1vs8 n GLY 20 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 1vs8 n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vs8 s PHE 21 N -0.15 -0.08 0.33 1.61 0.40 -1.26 -2.30 117.98 116.53 1vs8 s PHE 21 Ca 0.00 0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 56.59 1vs8 s PHE 21 Cb 0.00 -0.34 -0.09 0.00 0.51 0.00 0.00 43.02 43.10 1vs8 s PHE 21 CO 0.00 -0.23 0.82 -1.59 0.70 0.00 0.00 175.22 174.92 1vs8 s LYS 22 N 2.13 4.19 -0.00 0.44 -2.85 -1.18 -0.93 119.74 121.54 1vs8 s LYS 22 Ca 0.03 0.92 -0.19 0.00 -1.00 0.00 0.00 55.97 55.73 1vs8 s LYS 22 Cb -0.12 -2.51 0.04 0.00 -2.06 0.00 0.00 37.83 33.18 1vs8 s LYS 22 CO -0.05 0.17 0.42 -3.38 0.10 0.00 0.00 175.35 172.62 1vs8 s HIS 23 N -1.89 -0.31 0.40 1.78 -3.43 0.01 -0.19 115.29 111.66 1vs8 s HIS 23 Ca 0.53 0.43 -0.27 0.00 -0.80 0.00 0.00 55.06 54.95 1vs8 s HIS 23 Cb -0.12 0.20 -0.09 0.00 -1.43 0.00 0.00 32.58 31.13 1vs8 s HIS 23 CO 0.18 -0.50 1.36 0.15 -2.00 0.00 0.00 174.74 173.93 1vs8 s LYS 24 N -1.68 4.01 0.00 -0.38 -0.14 -1.26 -2.38 119.74 117.91 1vs8 s LYS 24 Ca -0.10 2.28 -0.03 0.00 -1.36 0.00 0.00 55.97 56.76 1vs8 s LYS 24 Cb -0.03 -2.83 -0.14 0.00 -1.68 0.00 0.00 37.83 33.15 1vs8 s LYS 24 CO 0.03 -0.50 2.44 0.72 -0.76 0.00 0.00 175.35 177.28 1vs8 n HIS 25 N 0.25 0.00 -1.51 3.18 8.25 -1.26 -4.84 115.22 119.29 1vs8 n HIS 25 Ca 0.03 -1.01 -0.34 0.00 -0.26 0.00 0.00 57.72 56.14 1vs8 n HIS 25 Cb 0.42 -1.04 -0.15 0.00 1.12 0.00 0.00 29.99 30.34 1vs8 n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vs8 n ALA 26 N 2.34 0.57 0.00 -1.41 0.00 -1.26 -4.18 120.51 116.57 1vs8 n ALA 26 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1vs8 n ALA 26 Cb 0.59 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1vs8 n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1vs8 n ASN 27 N 10.60 0.00 -3.62 0.00 5.15 -1.26 -5.09 115.26 121.04 1vs8 n ASN 27 Ca 0.61 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.39 1vs8 n ASN 27 Cb 0.16 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.25 1vs8 n ASN 27 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1vs8 s LEU 28 N -0.40 0.07 0.00 1.20 1.43 -1.26 -5.09 118.68 114.64 1vs8 s LEU 28 Ca 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1vs8 s LEU 28 Cb 0.00 0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.29 1vs8 s LEU 28 CO 0.00 -0.29 0.00 -1.14 0.23 0.00 0.00 176.35 175.15 1vs8 n ARG 29 N 5.31 0.00 0.00 1.70 0.00 -1.26 -5.04 116.66 117.37 1vs8 n ARG 29 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1vs8 n ARG 29 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1vs8 n ARG 29 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1vs8 n HIS 30 N 0.00 0.00 -2.79 -0.14 8.25 -1.26 -4.60 115.22 114.68 1vs8 n HIS 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vs8 n HIS 30 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vs8 n HIS 30 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1vs8 n ILE 31 N 0.00 0.00 -0.82 1.59 -5.35 -1.26 -5.15 119.36 108.37 1vs8 n ILE 31 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 1vs8 n ILE 31 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 1vs8 n ILE 31 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1vs8 n LEU 32 N 0.00 -0.40 -2.44 7.28 -0.00 -1.26 -5.04 117.00 115.13 1vs8 n LEU 32 Ca 0.00 0.89 -0.04 0.00 -0.00 0.00 0.00 56.01 56.86 1vs8 n LEU 32 Cb 0.00 -2.47 -0.03 0.00 -0.00 0.00 0.00 43.42 40.92 1vs8 n LEU 32 CO 0.00 -2.19 -0.54 0.41 -0.00 0.00 0.00 177.39 175.07 1vs8 n THR 33 N -2.86-11.20 0.00 1.96 -1.04 -1.26 -5.00 114.28 94.88 1vs8 n THR 33 Ca 0.00 2.18 -0.00 0.00 -2.04 0.00 0.00 64.05 64.20 1vs8 n THR 33 Cb 0.37 -6.18 -0.00 0.00 -1.82 0.00 0.00 70.33 62.70 1vs8 n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vs8 n LYS 34 N 1.24 0.00 -0.99 -2.82 4.76 -1.26 -4.79 118.16 114.31 1vs8 n LYS 34 Ca -0.28 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.01 1vs8 n LYS 34 Cb 0.43 -0.11 -0.02 0.00 -1.84 0.00 0.00 35.03 33.49 1vs8 n LYS 34 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1vs8 n LYS 35 N -2.57 1.84 0.00 1.97 -0.00 -1.26 -4.22 118.16 113.92 1vs8 n LYS 35 Ca -0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 58.31 56.92 1vs8 n LYS 35 Cb 0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 35.03 33.34 1vs8 n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs8 n ALA 36 N 1.02 1.11 0.00 0.58 0.00 -1.26 -4.96 120.51 116.99 1vs8 n ALA 36 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1vs8 n ALA 36 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1vs8 n ALA 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1vs8 n THR 37 N -2.13 0.00 -0.24 0.00 -1.04 -1.26 -4.46 114.28 105.14 1vs8 n THR 37 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1vs8 n THR 37 Cb 0.00 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 1vs8 n THR 37 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1vs8 h LYS 38 N 0.00 0.07 -0.28 -2.82 6.56 -1.97 0.23 116.57 118.36 1vs8 h LYS 38 Ca 0.00 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1vs8 h LYS 38 Cb 0.00 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.63 1vs8 h LYS 38 CO 0.00 0.05 0.03 0.00 -2.06 0.00 0.00 179.45 177.47 1vs8 h ARG 39 N 0.08 0.47 -0.97 3.15 2.47 -1.97 -3.02 114.38 114.59 1vs8 h ARG 39 Ca 0.37 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1vs8 h ARG 39 Cb 0.62 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.84 1vs8 h ARG 39 CO -0.65 0.60 0.63 0.87 0.56 0.00 0.00 179.97 181.98 1vs8 h LYS 40 N 0.28 1.29 0.00 0.04 1.57 -1.64 -0.56 116.57 117.56 1vs8 h LYS 40 Ca 0.08 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vs8 h LYS 40 Cb 0.36 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1vs8 h LYS 40 CO 0.01 0.86 0.12 -0.09 -0.57 0.00 0.00 179.45 179.78 1vs8 h ARG 41 N 1.32 0.00 -2.26 3.15 2.43 -0.46 -2.48 114.38 116.08 1vs8 h ARG 41 Ca 0.36 0.00 -0.77 0.00 -0.81 0.00 0.00 59.98 58.76 1vs8 h ARG 41 Cb -0.14 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 29.18 1vs8 h ARG 41 CO -0.07 0.00 1.28 0.72 -1.51 0.00 0.00 179.97 180.38 1vs8 n HIS 42 N -2.72 2.69 -3.82 2.20 8.25 -0.22 -4.81 115.22 116.80 1vs8 n HIS 42 Ca -0.02 -2.53 -0.28 0.00 -0.26 0.00 0.00 57.72 54.63 1vs8 n HIS 42 Cb 0.17 -1.34 -0.11 0.00 1.12 0.00 0.00 29.99 29.82 1vs8 n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vs8 n LEU 43 N 0.28 3.15 -4.31 2.41 4.32 -0.94 -4.99 117.00 116.92 1vs8 n LEU 43 Ca 0.52 -5.25 -0.19 0.00 -0.02 0.00 0.00 56.01 51.07 1vs8 n LEU 43 Cb 0.27 -0.74 -0.10 0.00 -1.62 0.00 0.00 43.42 41.23 1vs8 n LEU 43 CO 0.54 1.81 -0.45 -0.60 -1.22 0.00 0.00 177.39 177.47 1vs8 s ARG 44 N -1.65 1.23 -0.09 3.23 3.52 -1.26 -4.97 118.95 118.97 1vs8 s ARG 44 Ca 0.27 -1.47 -0.29 0.00 -0.13 0.00 0.00 55.73 54.11 1vs8 s ARG 44 Cb -0.01 -1.07 -0.06 0.00 -1.56 0.00 0.00 34.95 32.26 1vs8 s ARG 44 CO -0.14 0.19 1.85 -2.14 -0.81 0.00 0.00 175.30 174.24 1vs8 s PRO 45 N -3.30 3.90 0.13 5.12 0.02 -1.26 -4.42 135.00 135.19 1vs8 s PRO 45 Ca 0.18 2.18 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 1vs8 s PRO 45 Cb -0.02 -4.12 -0.06 0.00 0.02 0.00 0.00 34.50 30.31 1vs8 s PRO 45 CO 0.05 -1.20 0.46 0.21 -0.33 0.00 0.00 177.00 176.19 1vs8 s LYS 46 N 4.72 3.79 0.00 5.54 2.47 -1.00 -4.80 119.74 130.47 1vs8 s LYS 46 Ca 0.83 0.22 0.00 0.00 -1.56 0.00 0.00 55.97 55.46 1vs8 s LYS 46 Cb -0.34 -2.90 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 1vs8 s LYS 46 CO 0.35 0.49 0.00 0.00 0.16 0.00 0.00 175.35 176.34 1vs8 n ALA 47 N 0.58 0.00 -3.13 3.13 0.00 -1.26 -0.81 120.51 119.01 1vs8 n ALA 47 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1vs8 n ALA 47 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 1vs8 n ALA 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1vs8 s MET 48 N -0.37 3.43 0.00 0.00 1.75 -0.11 -4.46 119.30 119.54 1vs8 s MET 48 Ca 0.00 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 1vs8 s MET 48 Cb 0.00 -2.73 0.00 0.00 2.84 0.00 0.00 34.83 34.94 1vs8 s MET 48 CO 0.00 0.16 0.00 1.55 -0.65 0.00 0.00 175.02 176.08 1vs8 n VAL 49 N 3.71 0.00 0.47 10.11 3.14 -1.26 -4.73 118.33 129.77 1vs8 n VAL 49 Ca -0.18 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.22 1vs8 n VAL 49 Cb 0.52 -1.64 0.13 0.00 -1.06 0.00 0.00 33.84 31.80 1vs8 n VAL 49 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1vs8 n SER 50 N -0.85 0.00 -0.05 6.55 3.41 -1.26 -1.80 113.62 119.62 1vs8 n SER 50 Ca 0.00 -0.33 0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1vs8 n SER 50 Cb 0.00 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 64.66 1vs8 n SER 50 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1vs8 n LYS 51 N -0.80 0.58 -0.45 4.33 3.00 -1.26 -4.02 118.16 119.53 1vs8 n LYS 51 Ca 0.03 -0.10 0.42 0.00 -0.00 0.00 0.00 58.31 58.66 1vs8 n LYS 51 Cb 0.02 -1.50 0.77 0.00 0.00 0.00 0.00 35.03 34.32 1vs8 n LYS 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1vs8 h GLY 52 N 4.99 0.00 1.50 3.14 0.00 -1.67 0.30 103.07 111.33 1vs8 h GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vs8 h GLY 52 CO 0.00 0.00 0.16 1.22 0.00 0.00 0.00 176.54 177.92 1vs8 n ASP 53 N -4.07 0.28 -0.02 0.19 9.92 -1.26 -2.07 116.55 119.53 1vs8 n ASP 53 Ca 0.32 0.55 -0.06 0.00 -0.53 0.00 0.00 54.79 55.07 1vs8 n ASP 53 Cb 1.52 -0.54 -0.02 0.00 -0.64 0.00 0.00 41.12 41.44 1vs8 n ASP 53 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1vs8 n LEU 54 N -1.88 1.31 0.29 0.64 4.32 0.11 -4.16 117.00 117.63 1vs8 n LEU 54 Ca -0.01 0.20 0.12 0.00 -0.02 0.00 0.00 56.01 56.30 1vs8 n LEU 54 Cb 0.18 -0.46 0.65 0.00 -1.62 0.00 0.00 43.42 42.16 1vs8 n LEU 54 CO 0.05 -0.38 1.03 1.23 -1.22 0.00 0.00 177.39 178.10 1vs8 h GLY 55 N -0.41 0.00 0.00 -0.72 0.00 -1.53 0.57 103.07 100.99 1vs8 h GLY 55 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1vs8 h GLY 55 CO -0.04 0.00 -1.28 1.47 0.00 0.00 0.00 176.54 176.70 1vs8 n LEU 56 N -2.64 0.21 -1.03 3.11 -0.00 -0.88 -3.94 117.00 111.83 1vs8 n LEU 56 Ca -0.02 -0.17 0.06 0.00 -0.00 0.00 0.00 56.01 55.89 1vs8 n LEU 56 Cb 0.40 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 44.04 1vs8 n LEU 56 CO 0.10 0.05 0.67 0.55 -0.00 0.00 0.00 177.39 178.76 1vs8 n VAL 57 N -1.74 0.99 0.00 1.47 3.14 0.18 -3.84 118.33 118.53 1vs8 n VAL 57 Ca -0.01 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.66 1vs8 n VAL 57 Cb 0.30 0.09 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 1vs8 n VAL 57 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1vs8 n ILE 58 N 0.72 0.00 -3.30 1.55 -5.35 -1.11 -4.99 119.36 106.87 1vs8 n ILE 58 Ca 0.16 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.50 1vs8 n ILE 58 Cb 0.54 -0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.05 1vs8 n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vs8 s ALA 59 N -1.41 -0.67 -0.01 -1.28 0.00 -1.25 -2.54 121.76 114.60 1vs8 s ALA 59 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1vs8 s ALA 59 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 1vs8 s ALA 59 CO 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 175.76 173.62 1vs8 n LEU 61 N -1.74 -1.24 -3.18 0.00 4.32 -1.26 -4.77 117.00 109.13 1vs8 n LEU 61 Ca -0.01 0.77 -0.33 0.00 -0.02 0.00 0.00 56.01 56.42 1vs8 n LEU 61 Cb 0.23 -1.02 -0.01 0.00 -1.62 0.00 0.00 43.42 41.00 1vs8 n LEU 61 CO 0.03 -3.69 -0.16 -2.65 -1.22 0.00 0.00 177.39 169.70 1vs8 n PRO 62 N 0.76 0.00 0.00 3.23 -0.02 -1.26 -5.01 135.00 132.70 1vs8 n PRO 62 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1vs8 n PRO 62 Cb 0.44 -0.73 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 1vs8 n PRO 62 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1vs8 n TYR 63 N -0.36 0.00 -0.42 6.00 4.01 -1.26 -5.15 117.16 119.98 1vs8 n TYR 63 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1vs8 n TYR 63 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1vs8 n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40