#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hic s VAL 2 N 0.00 0.52 0.42 3.34 1.01 -1.26 -5.16 120.40 119.27 1hic s VAL 2 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1hic s VAL 2 Cb 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 1hic s VAL 2 CO 0.00 0.24 0.20 -0.31 0.00 0.00 0.00 175.10 175.23 1hic s TYR 3 N 1.24 2.56 0.18 5.22 1.51 -1.26 -5.17 117.35 121.63 1hic s TYR 3 Ca -0.06 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 1hic s TYR 3 Cb -0.14 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1hic s TYR 3 CO -0.02 0.14 0.07 0.95 -1.11 0.00 0.00 175.55 175.58 1hic s THR 4 N -2.61 0.29 0.62 -0.71 -4.23 -1.26 -4.95 115.64 102.79 1hic s THR 4 Ca 0.40 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1hic s THR 4 Cb 0.03 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 1hic s THR 4 CO 0.22 -0.29 0.98 -1.81 -0.54 0.00 0.00 174.62 173.18 1hic s ASP 5 N -3.15 5.79 0.62 3.99 1.11 -1.26 -0.67 116.67 123.11 1hic s ASP 5 Ca 0.30 1.05 -0.08 0.00 0.18 0.00 0.00 52.55 53.99 1hic s ASP 5 Cb 0.07 -2.04 0.00 0.00 1.07 0.00 0.00 42.92 42.02 1hic s ASP 5 CO 0.06 -1.04 0.97 0.00 1.18 0.00 0.00 175.17 176.35 1hic n THR 7 N -2.72 0.00 -3.86 0.00 -2.24 -1.26 -5.03 114.28 99.17 1hic n THR 7 Ca 0.05 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 1hic n THR 7 Cb 0.57 1.11 -0.15 0.00 -2.10 0.00 0.00 70.33 69.76 1hic n THR 7 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hic s GLU 8 N -0.23 0.04 0.42 -0.78 0.41 -1.26 -5.08 118.70 112.21 1hic s GLU 8 Ca 0.00 0.05 -0.26 0.00 -0.41 0.00 0.00 54.97 54.35 1hic s GLU 8 Cb 0.00 -0.14 -0.09 0.00 -1.78 0.00 0.00 34.13 32.12 1hic s GLU 8 CO 0.00 -0.06 1.45 -1.12 -0.49 0.00 0.00 175.26 175.04 1hic s SER 9 N 0.40 6.07 0.00 -0.19 0.01 -1.26 -2.85 113.70 115.89 1hic s SER 9 Ca -0.03 2.97 0.00 0.00 1.31 0.00 0.00 55.95 60.19 1hic s SER 9 Cb -0.05 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1hic s SER 9 CO -0.01 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.20 1hic n GLY 10 N 0.53 1.21 3.74 3.44 0.00 0.36 -4.97 105.19 109.49 1hic n GLY 10 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1hic n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hic s GLN 11 N -0.68 0.99 0.30 1.61 -0.21 -1.13 -1.15 119.66 119.38 1hic s GLN 11 Ca 0.00 0.46 -0.07 0.00 0.02 0.00 0.00 55.36 55.78 1hic s GLN 11 Cb 0.00 -1.81 -0.00 0.00 1.00 0.00 0.00 33.01 32.20 1hic s GLN 11 CO 0.00 -2.34 0.46 0.54 -2.12 0.00 0.00 175.29 171.83 1hic s ASN 12 N -3.74 0.43 -0.30 5.90 2.20 0.10 -0.21 114.94 119.32 1hic s ASN 12 Ca 0.64 -1.26 -0.01 0.00 -0.94 0.00 0.00 52.86 51.30 1hic s ASN 12 Cb -0.16 0.62 -0.01 0.00 -2.00 0.00 0.00 41.25 39.70 1hic s ASN 12 CO 0.55 -1.22 0.26 -0.11 -2.94 0.00 0.00 177.10 173.64 1hic n LEU 13 N -0.47 -2.68 -3.60 3.54 -0.00 0.36 -3.08 117.00 111.07 1hic n LEU 13 Ca -0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 56.01 55.80 1hic n LEU 13 Cb 0.62 -1.20 -0.02 0.00 -0.00 0.00 0.00 43.42 42.82 1hic n LEU 13 CO 0.27 0.08 0.99 0.00 -0.00 0.00 0.00 177.39 178.73 1hic s LEU 15 N -2.43 4.25 0.20 0.00 1.43 0.15 -0.33 118.68 121.95 1hic s LEU 15 Ca 0.10 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1hic s LEU 15 Cb 0.00 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1hic s LEU 15 CO -0.04 -0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.36 1hic s GLU 17 N -1.68 2.86 6.58 0.00 8.01 -1.25 -4.69 118.70 128.53 1hic s GLU 17 Ca 0.00 -1.08 0.00 0.00 0.01 0.00 0.00 54.97 53.90 1hic s GLU 17 Cb 0.00 -3.82 0.00 0.00 -4.31 0.00 0.00 34.13 26.00 1hic s GLU 17 CO 0.00 -0.73 0.00 0.41 0.01 0.00 0.00 175.26 174.95 1hic n GLY 18 N 5.05 3.70 1.23 -1.39 0.00 -1.26 -1.16 105.19 111.36 1hic n GLY 18 Ca -0.11 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1hic n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hic n SER 19 N 5.89 3.59 -4.66 1.61 2.88 -1.26 -4.86 113.62 116.81 1hic n SER 19 Ca 0.00 -1.99 -0.43 0.00 -1.33 0.00 0.00 58.87 55.12 1hic n SER 19 Cb 0.00 -0.42 -0.02 0.00 -0.75 0.00 0.00 64.21 63.02 1hic n SER 19 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1hic s ASN 20 N -1.09 7.04 -0.23 -3.46 0.01 -0.31 -4.97 114.94 111.94 1hic s ASN 20 Ca 0.44 1.31 -0.29 0.00 -0.71 0.00 0.00 52.86 53.61 1hic s ASN 20 Cb 0.24 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.38 1hic s ASN 20 CO 0.31 -0.64 1.05 0.54 -1.51 0.00 0.00 177.10 176.84 1hic s VAL 21 N 3.14 4.67 -1.31 1.60 0.11 -1.26 -2.64 120.40 124.71 1hic s VAL 21 Ca 0.42 2.02 -0.18 0.00 -2.93 0.00 0.00 61.98 61.31 1hic s VAL 21 Cb -0.15 -4.30 0.04 0.00 -1.53 0.00 0.00 36.38 30.44 1hic s VAL 21 CO 0.06 -0.18 1.88 0.00 -3.33 0.00 0.00 175.10 173.53 1hic s GLY 23 N 4.24 1.64 0.46 0.00 0.00 -1.26 -0.49 107.32 111.91 1hic s GLY 23 Ca 0.54 -0.97 -0.22 0.00 0.00 0.00 0.00 44.72 44.07 1hic s GLY 23 CO 0.05 -0.16 0.64 0.61 0.00 0.00 0.00 173.10 174.24 1hic n GLN 24 N -4.34 0.71 0.00 2.90 -0.00 -1.26 -0.85 117.38 114.53 1hic n GLN 24 Ca 0.13 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.39 1hic n GLN 24 Cb 0.59 -1.66 0.00 0.00 -0.00 0.00 0.00 30.24 29.17 1hic n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1hic n GLY 25 N 1.66 3.20 3.54 2.61 0.00 -1.26 -4.97 105.19 109.98 1hic n GLY 25 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1hic n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hic s ASN 26 N -0.89 3.11 -0.04 1.61 0.01 -0.03 -0.09 114.94 118.62 1hic s ASN 26 Ca 0.00 -1.42 -0.03 0.00 -0.71 0.00 0.00 52.86 50.70 1hic s ASN 26 Cb 0.00 -0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.56 1hic s ASN 26 CO 0.00 -0.59 0.10 -0.54 -1.51 0.00 0.00 177.10 174.56 1hic s LYS 27 N -3.81 0.10 -0.28 -0.60 3.01 0.75 -2.81 119.74 116.10 1hic s LYS 27 Ca 0.33 0.19 -0.21 0.00 -1.01 0.00 0.00 55.97 55.26 1hic s LYS 27 Cb 0.08 -0.01 -0.01 0.00 -1.01 0.00 0.00 37.83 36.88 1hic s LYS 27 CO 0.15 -0.05 0.67 0.00 0.51 0.00 0.00 175.35 176.63 1hic s ILE 29 N 2.64 5.26 -1.13 0.00 1.09 0.20 -0.49 121.20 128.77 1hic s ILE 29 Ca 0.27 0.71 -0.13 0.00 -1.10 0.00 0.00 60.65 60.40 1hic s ILE 29 Cb -0.15 -3.70 -0.07 0.00 -1.06 0.00 0.00 42.46 37.48 1hic s ILE 29 CO 0.10 0.36 2.24 0.18 -0.10 0.00 0.00 174.94 177.73 1hic n LEU 30 N 3.62 5.84 -0.44 2.97 4.77 -1.26 -1.75 117.00 130.75 1hic n LEU 30 Ca -0.10 -3.44 0.06 0.00 -0.03 0.00 0.00 56.01 52.50 1hic n LEU 30 Cb 0.52 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 1hic n LEU 30 CO 0.41 0.72 -0.12 0.61 -1.33 0.00 0.00 177.39 177.68 1hic n GLY 31 N 4.02 -1.88 2.51 -0.72 0.00 -1.26 -4.83 105.19 103.03 1hic n GLY 31 Ca 0.54 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 1hic n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hic s SER 32 N -4.83 3.05 -0.87 1.61 0.15 -0.32 -4.90 113.70 107.58 1hic s SER 32 Ca 0.00 -1.82 -0.09 0.00 0.70 0.00 0.00 55.95 54.74 1hic s SER 32 Cb 0.00 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1hic s SER 32 CO 0.00 -0.35 0.58 -0.67 1.20 0.00 0.00 173.24 174.00 1hic n ASP 33 N 4.49 -4.31 0.00 5.45 2.03 -1.26 -1.08 116.55 121.87 1hic n ASP 33 Ca 0.06 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1hic n ASP 33 Cb 0.39 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 1hic n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hic n GLY 34 N -1.70 2.91 3.77 0.27 0.00 -1.26 -5.04 105.19 104.13 1hic n GLY 34 Ca -0.26 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 1hic n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hic s GLU 35 N 0.00 3.84 1.18 1.61 2.02 -0.24 -5.01 118.70 122.10 1hic s GLU 35 Ca 0.00 2.24 -0.17 0.00 0.02 0.00 0.00 54.97 57.06 1hic s GLU 35 Cb 0.00 -2.69 0.27 0.00 0.10 0.00 0.00 34.13 31.81 1hic s GLU 35 CO 0.00 -0.63 1.06 0.15 0.02 0.00 0.00 175.26 175.86 1hic s LYS 36 N -2.35 -1.03 0.20 1.61 1.02 -1.26 -1.18 119.74 116.75 1hic s LYS 36 Ca 0.59 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 1hic s LYS 36 Cb -0.40 -1.59 -0.17 0.00 -0.52 0.00 0.00 37.83 35.16 1hic s LYS 36 CO 0.51 -3.66 0.75 0.09 -0.92 0.00 0.00 175.35 172.12 1hic n ASN 37 N -4.79 -0.30 -3.70 2.83 4.13 -1.26 -4.00 115.26 108.17 1hic n ASN 37 Ca 0.09 1.15 -0.27 0.00 1.68 0.00 0.00 54.58 57.22 1hic n ASN 37 Cb 0.58 -1.05 -0.17 0.00 -1.54 0.00 0.00 39.78 37.60 1hic n ASN 37 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1hic s GLN 38 N -0.96 0.45 -0.68 3.52 -0.21 -0.71 -4.73 119.66 116.33 1hic s GLN 38 Ca 0.66 -0.27 -0.25 0.00 0.02 0.00 0.00 55.36 55.53 1hic s GLN 38 Cb -0.91 -1.92 0.05 0.00 1.00 0.00 0.00 33.01 31.23 1hic s GLN 38 CO 0.57 -0.62 1.12 0.00 -2.12 0.00 0.00 175.29 174.24 1hic s VAL 40 N 4.89 3.53 0.26 0.00 -7.23 0.58 -4.87 120.40 117.56 1hic s VAL 40 Ca 0.30 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.72 1hic s VAL 40 Cb -0.12 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 1hic s VAL 40 CO 0.14 -0.14 0.41 -0.89 -0.31 0.00 0.00 175.10 174.31 1hic s THR 41 N -2.45 5.22 0.00 5.32 2.01 -1.26 -0.18 115.64 124.30 1hic s THR 41 Ca 0.51 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1hic s THR 41 Cb -0.10 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1hic s THR 41 CO 0.35 -0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1hic n GLY 42 N -1.46 0.82 1.63 4.40 0.00 0.88 -4.79 105.19 106.68 1hic n GLY 42 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1hic n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1hic n GLU 43 N 0.00 -4.30 -4.03 1.61 2.13 0.23 -4.90 120.64 111.38 1hic n GLU 43 Ca 0.00 3.27 -0.15 0.00 0.66 0.00 0.00 57.16 60.94 1hic n GLU 43 Cb 0.00 -3.90 -0.03 0.00 0.27 0.00 0.00 31.44 27.78 1hic n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hic n GLY 44 N -1.73 2.03 3.73 8.31 0.00 -1.12 -4.65 105.19 111.76 1hic n GLY 44 Ca 0.00 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1hic n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hic s THR 45 N -2.80 5.28 0.25 2.61 2.01 -0.30 -4.71 115.64 117.98 1hic s THR 45 Ca 0.29 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.62 1hic s THR 45 Cb -0.01 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1hic s THR 45 CO 0.21 0.39 1.43 -2.16 -0.69 0.00 0.00 174.62 173.80 1hic s PRO 46 N 0.40 4.27 0.20 4.92 0.04 -1.26 0.02 135.00 143.59 1hic s PRO 46 Ca 0.18 2.29 -0.31 0.00 0.04 0.00 0.00 61.00 63.21 1hic s PRO 46 Cb -0.13 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 1hic s PRO 46 CO 0.05 -0.40 1.52 0.21 0.04 0.00 0.00 177.00 178.43 1hic s LYS 47 N -0.49 4.23 0.94 4.56 2.20 -1.18 -4.86 119.74 125.15 1hic s LYS 47 Ca 0.58 2.35 -0.13 0.00 -0.36 0.00 0.00 55.97 58.41 1hic s LYS 47 Cb -0.42 -3.14 0.16 0.00 -1.51 0.00 0.00 37.83 32.92 1hic s LYS 47 CO 0.44 -0.55 1.14 -1.25 -0.36 0.00 0.00 175.35 174.78 1hic s PRO 48 N 0.58 0.89 0.60 4.03 0.04 -1.26 -5.00 135.00 134.88 1hic s PRO 48 Ca 0.66 0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.76 1hic s PRO 48 Cb -0.43 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.18 1hic s PRO 48 CO 0.36 -2.36 0.09 0.00 0.04 0.00 0.00 177.00 175.14 1hic n GLN 49 N -3.87 0.19 -3.88 4.56 0.00 -1.26 -5.06 117.38 108.06 1hic n GLN 49 Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 57.00 57.07 1hic n GLN 49 Cb 0.59 -1.32 -0.02 0.00 0.00 0.00 0.00 30.24 29.49 1hic n GLN 49 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1hic s SER 50 N -1.12 -0.18 0.00 2.61 0.01 -1.26 -5.23 113.70 108.53 1hic s SER 50 Ca 0.60 -0.74 0.32 0.00 1.31 0.00 0.00 55.95 57.44 1hic s SER 50 Cb -0.43 0.72 1.88 0.00 0.21 0.00 0.00 66.02 68.41 1hic s SER 50 CO 0.63 -1.36 2.21 1.41 0.41 0.00 0.00 173.24 176.54