#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca7 s ASP 2 N 0.00 4.65 0.22 3.14 2.15 -1.26 -4.54 116.67 121.02 2ca7 s ASP 2 Ca 0.00 2.03 -0.32 0.00 0.43 0.00 0.00 52.55 54.70 2ca7 s ASP 2 Cb 0.00 -2.55 -0.12 0.00 -0.30 0.00 0.00 42.92 39.95 2ca7 s ASP 2 CO 0.00 -1.94 1.68 -0.13 -0.17 0.00 0.00 175.17 174.61 2ca7 s ARG 3 N -4.29 4.14 0.32 4.34 0.52 -1.26 -4.94 118.95 117.77 2ca7 s ARG 3 Ca 0.67 2.57 -0.29 0.00 -0.52 0.00 0.00 55.73 58.16 2ca7 s ARG 3 Cb -0.21 -3.08 -0.12 0.00 0.52 0.00 0.00 34.95 32.06 2ca7 s ARG 3 CO 0.47 -0.71 1.42 -2.30 0.02 0.00 0.00 175.30 174.20 2ca7 n PRO 4 N 3.67 2.34 0.00 3.54 -0.02 -1.26 -4.86 135.00 138.41 2ca7 n PRO 4 Ca 0.14 0.83 0.01 0.00 -2.02 0.00 0.00 63.50 62.46 2ca7 n PRO 4 Cb 0.36 -2.50 0.08 0.00 -0.02 0.00 0.00 33.50 31.42 2ca7 n PRO 4 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ca7 n SER 5 N 1.31 0.00 -0.01 2.55 7.64 -1.26 -2.42 113.62 121.43 2ca7 n SER 5 Ca 0.06 0.02 0.13 0.00 1.01 0.00 0.00 58.87 60.10 2ca7 n SER 5 Cb 0.36 -0.09 0.48 0.00 -1.01 0.00 0.00 64.21 63.95 2ca7 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ca7 n LEU 6 N -1.09 0.24 0.22 -3.43 -0.00 -1.26 -3.26 117.00 108.41 2ca7 n LEU 6 Ca 0.02 0.25 0.12 0.00 -0.00 0.00 0.00 56.01 56.40 2ca7 n LEU 6 Cb 0.01 -0.37 0.19 0.00 -0.00 0.00 0.00 43.42 43.25 2ca7 n LEU 6 CO 0.02 0.06 0.81 0.00 -0.00 0.00 0.00 177.39 178.27 2ca7 n ASP 8 N -3.10 5.49 -4.69 0.00 2.03 -1.20 -4.52 116.55 110.54 2ca7 n ASP 8 Ca 0.04 -2.98 -0.37 0.00 0.52 0.00 0.00 54.79 51.99 2ca7 n ASP 8 Cb 0.53 -0.68 -0.07 0.00 -0.72 0.00 0.00 41.12 40.17 2ca7 n ASP 8 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2ca7 s LEU 9 N -2.81 4.19 0.43 -2.67 1.98 -1.14 -4.96 118.68 113.70 2ca7 s LEU 9 Ca 0.54 0.50 -0.21 0.00 -2.89 0.00 0.00 54.13 52.06 2ca7 s LEU 9 Cb 0.41 -2.44 -0.14 0.00 0.66 0.00 0.00 46.19 44.69 2ca7 s LEU 9 CO 0.15 0.00 0.32 -0.81 -1.89 0.00 0.00 176.35 174.13 2ca7 n PRO 10 N 4.09 0.30 -2.94 0.98 -0.04 -1.26 -4.74 135.00 131.38 2ca7 n PRO 10 Ca -0.10 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2ca7 n PRO 10 Cb 0.51 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 2ca7 n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ca7 s ALA 11 N -1.59 3.21 -0.06 0.55 0.00 -1.26 -4.55 121.76 118.06 2ca7 s ALA 11 Ca 0.62 -1.90 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 2ca7 s ALA 11 Cb -0.60 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 2ca7 s ALA 11 CO 0.60 -2.60 0.04 0.34 0.00 0.00 0.00 175.76 174.14 2ca7 s ASP 12 N 3.56 5.49 0.30 0.00 -1.08 -1.26 -4.99 116.67 118.68 2ca7 s ASP 12 Ca 0.20 0.17 0.21 0.00 -0.52 0.00 0.00 52.55 52.61 2ca7 s ASP 12 Cb -0.19 -1.58 0.14 0.00 -1.46 0.00 0.00 42.92 39.83 2ca7 s ASP 12 CO 0.10 0.35 1.30 0.28 0.52 0.00 0.00 175.17 177.72 2ca7 h SER 13 N 4.78 0.00 -4.60 -0.34 0.02 -1.89 -3.39 113.55 108.13 2ca7 h SER 13 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2ca7 h SER 13 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2ca7 h SER 13 CO 0.57 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 2ca7 n GLY 14 N 1.17 -0.09 0.16 -3.77 0.00 -1.25 -3.20 105.19 98.22 2ca7 n GLY 14 Ca 0.01 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.29 2ca7 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ca7 n SER 15 N -0.76 2.50 -4.78 1.61 7.64 -0.15 -4.90 113.62 114.78 2ca7 n SER 15 Ca 0.00 -2.99 -0.27 0.00 1.01 0.00 0.00 58.87 56.62 2ca7 n SER 15 Cb 0.00 -0.41 0.10 0.00 -1.01 0.00 0.00 64.21 62.89 2ca7 n SER 15 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ca7 s GLY 16 N -2.62 1.68 -0.00 0.23 0.00 -0.77 -4.89 107.32 100.96 2ca7 s GLY 16 Ca 0.31 -0.96 0.19 0.00 0.00 0.00 0.00 44.72 44.26 2ca7 s GLY 16 CO 0.04 -0.46 0.79 -0.37 0.00 0.00 0.00 173.10 173.09 2ca7 n THR 17 N -3.15 0.00 -3.59 0.90 5.66 -1.16 -4.90 114.28 108.04 2ca7 n THR 17 Ca 0.10 -0.07 -0.20 0.00 -3.05 0.00 0.00 64.05 60.83 2ca7 n THR 17 Cb 0.60 0.96 -0.02 0.00 -1.55 0.00 0.00 70.33 70.33 2ca7 n THR 17 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2ca7 s LYS 18 N -2.82 2.95 -0.18 1.09 2.47 -0.86 -5.05 119.74 117.33 2ca7 s LYS 18 Ca 0.07 -1.14 0.00 0.00 -1.56 0.00 0.00 55.97 53.34 2ca7 s LYS 18 Cb 0.14 -2.68 0.02 0.00 -1.46 0.00 0.00 37.83 33.85 2ca7 s LYS 18 CO 0.78 0.06 -0.18 0.00 0.16 0.00 0.00 175.35 176.17 2ca7 s ALA 19 N -2.24 2.39 -0.07 3.13 0.00 -1.26 -4.10 121.76 119.62 2ca7 s ALA 19 Ca 0.44 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 2ca7 s ALA 19 Cb -0.08 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.83 2ca7 s ALA 19 CO 0.29 -0.33 0.16 -2.00 0.00 0.00 0.00 175.76 173.88 2ca7 s GLU 20 N 1.27 0.14 -0.34 0.00 2.12 -0.30 -4.93 118.70 116.67 2ca7 s GLU 20 Ca 0.04 0.31 -0.22 0.00 0.36 0.00 0.00 54.97 55.46 2ca7 s GLU 20 Cb -0.13 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.21 2ca7 s GLU 20 CO -0.11 -0.10 0.73 0.21 -0.54 0.00 0.00 175.26 175.46 2ca7 s LYS 21 N 0.65 3.82 0.38 4.30 2.36 -1.26 -1.99 119.74 128.00 2ca7 s LYS 21 Ca -0.05 0.34 0.04 0.00 -2.55 0.00 0.00 55.97 53.75 2ca7 s LYS 21 Cb -0.06 -3.77 -0.03 0.00 -1.05 0.00 0.00 37.83 32.91 2ca7 s LYS 21 CO -0.03 -0.73 0.13 1.03 1.55 0.00 0.00 175.35 177.29 2ca7 s ARG 22 N 2.91 1.85 0.02 4.03 1.81 -1.14 -4.91 118.95 123.52 2ca7 s ARG 22 Ca 0.29 -2.11 0.01 0.00 -1.72 0.00 0.00 55.73 52.21 2ca7 s ARG 22 Cb -0.14 -0.54 -0.02 0.00 -0.45 0.00 0.00 34.95 33.81 2ca7 s ARG 22 CO 0.14 -0.45 -0.05 -1.50 -0.68 0.00 0.00 175.30 172.76 2ca7 s ILE 23 N -3.28 0.35 0.28 1.52 2.07 0.11 -1.55 121.20 120.70 2ca7 s ILE 23 Ca 0.27 -0.70 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 2ca7 s ILE 23 Cb 0.04 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 2ca7 s ILE 23 CO 0.15 -0.24 0.13 -0.72 -1.91 0.00 0.00 174.94 172.35 2ca7 s TYR 24 N -0.92 1.54 -0.43 3.50 -0.85 0.06 -0.67 117.35 119.58 2ca7 s TYR 24 Ca -0.07 -1.29 -0.24 0.00 -0.52 0.00 0.00 57.07 54.95 2ca7 s TYR 24 Cb -0.07 -0.86 0.02 0.00 0.38 0.00 0.00 41.96 41.44 2ca7 s TYR 24 CO -0.00 -0.45 0.83 -0.47 -1.52 0.00 0.00 175.55 173.94 2ca7 s TYR 25 N -3.71 3.01 -0.09 -3.49 5.04 -1.26 -0.05 117.35 116.80 2ca7 s TYR 25 Ca 0.37 0.34 -0.30 0.00 -2.44 0.00 0.00 57.07 55.04 2ca7 s TYR 25 Cb 0.06 -3.67 -0.02 0.00 0.35 0.00 0.00 41.96 38.68 2ca7 s TYR 25 CO 0.15 -0.95 1.14 1.21 -1.34 0.00 0.00 175.55 175.76 2ca7 s ASN 26 N 2.08 7.10 0.04 4.32 3.84 0.03 -4.82 114.94 127.54 2ca7 s ASN 26 Ca 0.32 1.69 -0.18 0.00 0.21 0.00 0.00 52.86 54.90 2ca7 s ASN 26 Cb -0.12 -2.55 -0.18 0.00 -0.55 0.00 0.00 41.25 37.85 2ca7 s ASN 26 CO 0.22 -0.56 1.22 0.28 -2.79 0.00 0.00 177.10 175.47 2ca7 h SER 27 N 7.41 0.58 -0.29 -4.21 0.02 -1.84 -0.29 113.55 114.92 2ca7 h SER 27 Ca -0.31 -0.64 -0.15 0.00 -0.84 0.00 0.00 61.79 59.84 2ca7 h SER 27 Cb 1.14 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2ca7 h SER 27 CO 0.89 1.12 -0.41 0.00 -1.14 0.00 0.00 176.83 177.29 2ca7 h ALA 28 N 0.47 0.44 0.00 3.77 0.00 -1.95 -2.60 119.26 119.38 2ca7 h ALA 28 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ca7 h ALA 28 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ca7 h ALA 28 CO 0.10 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2ca7 h ARG 29 N 0.55 0.00 -5.41 0.00 -0.00 -1.98 -3.47 114.38 104.07 2ca7 h ARG 29 Ca 0.03 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 59.10 2ca7 h ARG 29 Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.95 2ca7 h ARG 29 CO 0.10 0.00 -0.63 1.17 0.00 0.00 0.00 179.97 180.61 2ca7 n LYS 30 N -2.31 -4.53 -3.81 0.04 4.81 -0.17 -4.97 118.16 107.22 2ca7 n LYS 30 Ca 0.05 0.64 -0.12 0.00 -0.87 0.00 0.00 58.31 58.01 2ca7 n LYS 30 Cb 0.43 -5.45 -0.11 0.00 0.02 0.00 0.00 35.03 29.92 2ca7 n LYS 30 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2ca7 s GLN 31 N -6.09 0.34 0.23 1.64 -2.07 -0.91 -4.97 119.66 107.81 2ca7 s GLN 31 Ca 0.45 0.09 -0.30 0.00 -1.82 0.00 0.00 55.36 53.78 2ca7 s GLN 31 Cb -0.22 0.15 -0.09 0.00 -1.09 0.00 0.00 33.01 31.76 2ca7 s GLN 31 CO 0.55 -0.06 1.22 0.00 -1.32 0.00 0.00 175.29 175.68 2ca7 s LEU 33 N -0.66 1.46 0.33 0.00 0.05 0.93 -4.85 118.68 115.93 2ca7 s LEU 33 Ca 0.51 0.08 -0.27 0.00 0.05 0.00 0.00 54.13 54.50 2ca7 s LEU 33 Cb -0.34 0.62 -0.09 0.00 -2.05 0.00 0.00 46.19 44.32 2ca7 s LEU 33 CO 0.40 -0.21 1.06 -0.60 -0.55 0.00 0.00 176.35 176.45 2ca7 s ARG 34 N -0.61 4.44 0.18 1.48 3.00 -1.26 -0.76 118.95 125.42 2ca7 s ARG 34 Ca -0.07 1.63 0.02 0.00 -1.00 0.00 0.00 55.73 56.31 2ca7 s ARG 34 Cb -0.04 -2.89 -0.05 0.00 0.00 0.00 0.00 34.95 31.97 2ca7 s ARG 34 CO 0.01 0.08 -0.00 -0.59 0.00 0.00 0.00 175.30 174.80 2ca7 s PHE 35 N -1.40 1.27 -0.95 5.12 -0.71 -0.59 -4.92 117.98 115.79 2ca7 s PHE 35 Ca 0.50 -1.00 -0.14 0.00 -1.04 0.00 0.00 56.93 55.25 2ca7 s PHE 35 Cb -0.27 -0.72 0.20 0.00 -1.21 0.00 0.00 43.02 41.03 2ca7 s PHE 35 CO 0.34 -0.18 1.00 -0.51 -1.34 0.00 0.00 175.22 174.53 2ca7 s ASP 36 N -3.19 6.88 0.02 1.98 1.11 -1.26 -2.88 116.67 119.31 2ca7 s ASP 36 Ca 0.24 -2.74 -0.30 0.00 0.18 0.00 0.00 52.55 49.93 2ca7 s ASP 36 Cb 0.06 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 2ca7 s ASP 36 CO 0.05 -0.66 1.00 -0.47 1.18 0.00 0.00 175.17 176.27 2ca7 s TYR 37 N 0.66 3.65 -0.39 4.23 5.04 -0.84 -4.85 117.35 124.85 2ca7 s TYR 37 Ca 0.27 1.66 0.06 0.00 -2.44 0.00 0.00 57.07 56.62 2ca7 s TYR 37 Cb -0.08 -3.15 0.68 0.00 0.35 0.00 0.00 41.96 39.76 2ca7 s TYR 37 CO -0.08 -0.14 1.83 0.25 -1.34 0.00 0.00 175.55 176.07 2ca7 n THR 38 N 3.81 2.99 0.00 4.34 -2.24 -1.19 -1.15 114.28 120.84 2ca7 n THR 38 Ca 0.06 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 2ca7 n THR 38 Cb 0.50 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2ca7 n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ca7 n GLY 39 N -0.66 1.83 2.92 3.38 0.00 -1.26 -2.03 105.19 109.37 2ca7 n GLY 39 Ca 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 2ca7 n GLY 39 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ca7 s GLN 40 N 0.00 0.32 0.00 1.61 0.74 -1.26 -4.95 119.66 116.12 2ca7 s GLN 40 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.30 2ca7 s GLN 40 Cb 0.00 -0.33 0.00 0.00 1.10 0.00 0.00 33.01 33.78 2ca7 s GLN 40 CO 0.00 0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 2ca7 n GLY 41 N 3.16 0.97 0.00 2.59 0.00 -1.26 -0.98 105.19 109.67 2ca7 n GLY 41 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2ca7 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ca7 n GLY 42 N -0.37 3.49 3.61 -0.02 0.00 -1.26 -3.04 105.19 107.60 2ca7 n GLY 42 Ca 0.00 -1.92 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 2ca7 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ca7 s ASN 43 N -0.22 4.43 0.40 1.61 4.22 -1.26 -4.94 114.94 119.17 2ca7 s ASN 43 Ca 0.00 -0.58 0.21 0.00 -2.14 0.00 0.00 52.86 50.35 2ca7 s ASN 43 Cb 0.00 -0.80 0.70 0.00 1.28 0.00 0.00 41.25 42.43 2ca7 s ASN 43 CO 0.00 0.06 1.73 -0.33 -2.04 0.00 0.00 177.10 176.52 2ca7 h GLU 44 N 2.48 0.00 -5.83 3.55 4.39 -1.95 -3.37 114.58 113.85 2ca7 h GLU 44 Ca -0.46 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.67 2ca7 h GLU 44 Cb 1.22 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 2ca7 h GLU 44 CO 0.57 0.29 1.74 1.21 -1.16 0.00 0.00 179.01 181.67 2ca7 s ASN 45 N -6.29 6.31 -0.11 1.42 2.47 -1.26 -4.83 114.94 112.65 2ca7 s ASN 45 Ca 0.01 -1.97 -0.04 0.00 0.42 0.00 0.00 52.86 51.29 2ca7 s ASN 45 Cb 0.10 -2.58 0.06 0.00 -1.45 0.00 0.00 41.25 37.37 2ca7 s ASN 45 CO 0.67 -1.71 0.17 0.21 -3.72 0.00 0.00 177.10 172.71 2ca7 s ASN 46 N 5.08 0.93 0.07 -4.21 2.47 -1.26 -4.70 114.94 113.32 2ca7 s ASN 46 Ca 0.56 0.20 0.07 0.00 0.42 0.00 0.00 52.86 54.11 2ca7 s ASN 46 Cb 0.02 0.29 -0.03 0.00 -1.45 0.00 0.00 41.25 40.07 2ca7 s ASN 46 CO 0.05 -0.26 -0.19 -0.36 -3.72 0.00 0.00 177.10 172.61 2ca7 s PHE 47 N 2.30 1.63 -0.91 0.43 0.08 0.15 -4.97 117.98 116.70 2ca7 s PHE 47 Ca 0.04 -0.40 0.21 0.00 0.12 0.00 0.00 56.93 56.90 2ca7 s PHE 47 Cb -0.13 -0.93 -0.19 0.00 -0.57 0.00 0.00 43.02 41.19 2ca7 s PHE 47 CO -0.07 0.12 0.89 -2.13 -0.10 0.00 0.00 175.22 173.93 2ca7 n ARG 48 N 1.52 0.06 -3.90 0.44 3.00 -1.26 0.05 116.66 116.57 2ca7 n ARG 48 Ca -0.19 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.85 57.54 2ca7 n ARG 48 Cb 0.54 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.38 2ca7 n ARG 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2ca7 s ARG 49 N -3.05 0.35 0.21 -0.14 3.52 -1.26 -4.84 118.95 113.73 2ca7 s ARG 49 Ca 0.07 -0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2ca7 s ARG 49 Cb 0.16 0.14 0.17 0.00 -1.56 0.00 0.00 34.95 33.86 2ca7 s ARG 49 CO 0.86 -0.07 1.51 1.15 -0.81 0.00 0.00 175.30 177.94 2ca7 h THR 50 N 4.55 1.38 -0.55 4.11 2.02 -1.97 -2.73 112.91 119.72 2ca7 h THR 50 Ca -0.30 -2.02 -0.06 0.00 0.77 0.00 0.00 66.41 64.81 2ca7 h THR 50 Cb 1.20 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 2ca7 h THR 50 CO 0.42 0.60 0.12 0.22 0.37 0.00 0.00 175.52 177.25 2ca7 h TYR 51 N 0.24 0.95 -0.31 3.16 3.20 -1.98 -1.34 116.97 120.89 2ca7 h TYR 51 Ca -0.01 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.77 2ca7 h TYR 51 Cb 1.17 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2ca7 h TYR 51 CO 0.03 0.83 0.13 -0.44 -1.64 0.00 0.00 178.16 177.07 2ca7 h ASP 52 N 0.79 0.17 -0.34 -2.11 5.19 -1.95 0.59 116.42 118.77 2ca7 h ASP 52 Ca 0.17 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 2ca7 h ASP 52 Cb 0.37 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 2ca7 h ASP 52 CO 0.01 0.14 0.11 0.00 -3.12 0.00 0.00 179.24 176.37 2ca7 h GLN 54 N 0.39 0.32 -0.33 0.00 4.15 -0.83 0.36 115.11 119.18 2ca7 h GLN 54 Ca 0.11 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2ca7 h GLN 54 Cb 0.24 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2ca7 h GLN 54 CO -0.00 0.21 0.07 -0.09 -1.93 0.00 0.00 178.83 177.09 2ca7 h ARG 55 N 0.33 0.54 0.03 1.69 2.43 0.18 -1.34 114.38 118.23 2ca7 h ARG 55 Ca 0.12 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2ca7 h ARG 55 Cb 0.01 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2ca7 h ARG 55 CO -0.07 0.60 -0.21 0.00 -1.51 0.00 0.00 179.97 178.79 2ca7 h THR 56 N 0.38 1.67 0.00 0.20 1.03 -0.86 -3.37 112.91 111.96 2ca7 h THR 56 Ca 0.10 -2.23 0.00 0.00 -0.01 0.00 0.00 66.41 64.27 2ca7 h THR 56 Cb 0.31 3.15 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 2ca7 h THR 56 CO 0.00 0.60 -1.20 0.00 -0.01 0.00 0.00 175.52 174.91 2ca7 n LEU 58 N -1.74 0.41 -4.34 0.00 -0.00 -0.59 -4.63 117.00 106.11 2ca7 n LEU 58 Ca 0.02 -0.01 -0.47 0.00 -0.00 0.00 0.00 56.01 55.55 2ca7 n LEU 58 Cb 0.40 0.14 -0.02 0.00 -0.00 0.00 0.00 43.42 43.94 2ca7 n LEU 58 CO 0.43 0.29 0.48 -0.31 -0.00 0.00 0.00 177.39 178.27 2ca7 s TYR 59 N -2.22 3.76 -0.93 1.96 2.02 -0.71 -5.03 117.35 116.20 2ca7 s TYR 59 Ca -0.06 -2.00 0.07 0.00 -0.37 0.00 0.00 57.07 54.71 2ca7 s TYR 59 Cb 0.03 -3.85 0.06 0.00 -0.40 0.00 0.00 41.96 37.80 2ca7 s TYR 59 CO 0.36 -1.02 0.74 -2.37 -1.57 0.00 0.00 175.55 171.69