#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 4.40 0.22 3.34 1.01 -1.26 -5.08 120.40 123.04 1hic s VAL 2 Ca 0.00 1.86 0.07 0.00 0.00 0.00 0.00 61.98 63.91 1hic s VAL 2 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1hic s VAL 2 CO 0.00 0.44 0.14 -0.31 0.00 0.00 0.00 175.10 175.38 1hic s TYR 3 N -0.69 3.06 0.14 5.22 2.02 -1.26 -5.15 117.35 120.68 1hic s TYR 3 Ca 0.40 -0.10 -0.00 0.00 -0.37 0.00 0.00 57.07 57.00 1hic s TYR 3 Cb -0.23 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1hic s TYR 3 CO 0.28 0.53 0.03 0.95 -1.57 0.00 0.00 175.55 175.77 1hic s THR 4 N -2.02 0.31 0.75 -0.71 -4.23 -1.26 -4.96 115.64 103.52 1hic s THR 4 Ca 0.32 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1hic s THR 4 Cb -0.08 -2.04 0.04 0.00 1.34 0.00 0.00 72.50 71.76 1hic s THR 4 CO 0.23 -0.50 1.08 -1.81 -0.54 0.00 0.00 174.62 173.08 1hic s ASP 5 N -3.08 4.93 0.19 3.99 1.01 -1.26 -0.33 116.67 122.12 1hic s ASP 5 Ca 0.23 1.42 -0.26 0.00 0.71 0.00 0.00 52.55 54.66 1hic s ASP 5 Cb 0.07 -2.23 -0.08 0.00 1.01 0.00 0.00 42.92 41.69 1hic s ASP 5 CO 0.02 -1.71 0.81 0.00 0.21 0.00 0.00 175.17 174.50 1hic n THR 7 N 1.43 0.00 -3.89 0.00 -2.24 -1.26 -5.00 114.28 103.32 1hic n THR 7 Ca -0.04 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 1hic n THR 7 Cb 0.49 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 1hic n THR 7 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1hic s GLU 8 N -2.16 0.28 0.68 -0.78 1.03 -1.26 -5.09 118.70 111.40 1hic s GLU 8 Ca 0.03 -0.24 -0.12 0.00 0.03 0.00 0.00 54.97 54.67 1hic s GLU 8 Cb 0.08 0.11 0.00 0.00 -0.80 0.00 0.00 34.13 33.53 1hic s GLU 8 CO 0.46 -0.05 1.07 -1.12 -1.33 0.00 0.00 175.26 174.28 1hic s SER 9 N -0.81 5.34 -0.28 0.83 0.01 -1.26 -3.85 113.70 113.67 1hic s SER 9 Ca -0.09 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1hic s SER 9 Cb -0.05 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1hic s SER 9 CO 0.00 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.79 1hic n GLY 10 N -1.52 0.58 3.39 3.44 0.00 0.12 -4.97 105.19 106.24 1hic n GLY 10 Ca 0.08 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1hic n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hic s GLN 11 N -1.49 1.43 0.00 1.61 0.74 -1.13 -3.73 119.66 117.09 1hic s GLN 11 Ca 0.00 -1.55 0.00 0.00 0.05 0.00 0.00 55.36 53.86 1hic s GLN 11 Cb 0.00 -1.50 0.00 0.00 1.10 0.00 0.00 33.01 32.61 1hic s GLN 11 CO 0.00 0.30 0.00 0.27 -0.55 0.00 0.00 175.29 175.31 1hic n ASN 12 N -0.04 0.41 -2.77 6.67 0.23 0.55 0.11 115.26 120.41 1hic n ASN 12 Ca -0.10 -0.77 -0.18 0.00 -0.53 0.00 0.00 54.58 53.00 1hic n ASN 12 Cb 0.58 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.33 1hic n ASN 12 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1hic n LEU 13 N 0.00 -2.91 -3.53 -4.53 7.99 0.65 0.06 117.00 114.73 1hic n LEU 13 Ca 0.00 -0.37 -0.15 0.00 -0.01 0.00 0.00 56.01 55.49 1hic n LEU 13 Cb 0.00 -2.47 -0.05 0.00 -0.11 0.00 0.00 43.42 40.80 1hic n LEU 13 CO 0.00 0.42 0.34 0.00 -1.51 0.00 0.00 177.39 176.65 1hic s LEU 15 N -1.89 4.32 0.05 0.00 1.43 0.55 -0.87 118.68 122.28 1hic s LEU 15 Ca -0.06 2.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.36 1hic s LEU 15 Cb -0.01 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.68 1hic s LEU 15 CO -0.00 -1.00 -0.01 0.00 0.23 0.00 0.00 176.35 175.56 1hic s GLU 17 N -1.67 3.01 5.90 0.00 0.41 -1.24 -4.70 118.70 120.40 1hic s GLU 17 Ca -0.01 -1.49 0.00 0.00 -0.41 0.00 0.00 54.97 53.06 1hic s GLU 17 Cb 0.00 -4.24 0.00 0.00 -1.78 0.00 0.00 34.13 28.11 1hic s GLU 17 CO 0.02 -1.29 0.00 0.41 -0.49 0.00 0.00 175.26 173.90 1hic n GLY 18 N 5.24 3.00 0.18 -1.39 0.00 -1.26 -1.49 105.19 109.46 1hic n GLY 18 Ca -0.12 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 1.36 0.54 -4.62 1.61 2.88 -1.26 -4.80 113.62 109.33 1hic n SER 19 Ca 0.00 -1.32 -0.42 0.00 -1.33 0.00 0.00 58.87 55.80 1hic n SER 19 Cb 0.00 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.82 6.76 0.25 -3.46 0.01 -0.56 -4.95 114.94 111.17 1hic s ASN 20 Ca 0.38 0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 53.02 1hic s ASN 20 Cb 0.19 -2.46 -0.09 0.00 0.41 0.00 0.00 41.25 39.30 1hic s ASN 20 CO 0.30 -0.72 1.27 0.54 -1.51 0.00 0.00 177.10 176.98 1hic s VAL 21 N 3.22 3.15 -0.83 1.60 0.11 -1.26 -3.05 120.40 123.34 1hic s VAL 21 Ca 0.37 1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 60.20 1hic s VAL 21 Cb -0.13 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.05 1hic s VAL 21 CO 0.14 0.19 1.72 0.00 -3.33 0.00 0.00 175.10 173.82 1hic s GLY 23 N 6.76 1.52 0.34 0.00 0.00 -1.26 -0.25 107.32 114.43 1hic s GLY 23 Ca 0.59 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 1hic s GLY 23 CO 0.05 0.38 1.50 0.61 0.00 0.00 0.00 173.10 175.64 1hic n GLN 24 N -4.89 2.61 -0.45 2.90 10.64 -1.26 -2.50 117.38 124.44 1hic n GLN 24 Ca 0.05 0.92 0.00 0.00 -1.83 0.00 0.00 57.00 56.15 1hic n GLN 24 Cb 0.56 -2.65 0.00 0.00 -0.86 0.00 0.00 30.24 27.29 1hic n GLN 24 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hic n GLY 25 N 1.08 0.77 3.13 2.61 0.00 -1.26 -5.00 105.19 106.53 1hic n GLY 25 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.01 0.37 -0.01 1.61 -0.87 -0.36 -0.24 114.94 113.43 1hic s ASN 26 Ca 0.00 -1.13 0.00 0.00 -1.57 0.00 0.00 52.86 50.16 1hic s ASN 26 Cb 0.00 0.27 0.01 0.00 -0.02 0.00 0.00 41.25 41.50 1hic s ASN 26 CO 0.00 -0.69 -0.01 -0.54 -2.57 0.00 0.00 177.10 173.30 1hic s LYS 27 N -4.00 0.12 -0.13 -0.60 1.02 0.51 -3.74 119.74 112.91 1hic s LYS 27 Ca 0.18 -0.01 -0.19 0.00 0.02 0.00 0.00 55.97 55.97 1hic s LYS 27 Cb 0.08 -0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.18 1hic s LYS 27 CO -0.02 -0.01 0.54 0.00 -0.92 0.00 0.00 175.35 174.93 1hic s ILE 29 N 0.95 3.70 -1.27 0.00 -1.09 0.49 0.16 121.20 124.14 1hic s ILE 29 Ca 0.28 -1.06 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 1hic s ILE 29 Cb -0.16 -3.05 -0.06 0.00 -1.58 0.00 0.00 42.46 37.61 1hic s ILE 29 CO 0.12 -0.10 2.41 0.18 -1.23 0.00 0.00 174.94 176.31 1hic n LEU 30 N 4.80 6.60 0.00 2.97 4.77 -1.26 -0.27 117.00 134.61 1hic n LEU 30 Ca -0.13 -3.70 0.00 0.00 -0.03 0.00 0.00 56.01 52.15 1hic n LEU 30 Cb 0.45 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1hic n LEU 30 CO 0.31 1.09 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 1hic n GLY 31 N 3.89 2.15 2.69 -0.72 0.00 -0.67 -4.37 105.19 108.15 1hic n GLY 31 Ca 0.59 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1hic n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hic n SER 32 N 0.14 -2.65 -3.88 1.61 7.64 -1.26 -4.90 113.62 110.32 1hic n SER 32 Ca 0.00 -3.14 -0.29 0.00 1.01 0.00 0.00 58.87 56.45 1hic n SER 32 Cb 0.00 1.51 0.03 0.00 -1.01 0.00 0.00 64.21 64.74 1hic n SER 32 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1hic n ASP 33 N 1.92 -4.26 0.00 6.43 2.03 -1.26 -4.20 116.55 117.21 1hic n ASP 33 Ca 0.13 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1hic n ASP 33 Cb 0.60 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 37.08 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 -1.69 0.58 3.65 0.27 0.00 -1.26 -5.14 105.19 101.60 1hic n GLY 34 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 0.76 0.64 1.61 2.02 -1.26 -5.04 118.70 117.43 1hic s GLU 35 Ca 0.00 1.20 0.02 0.00 0.02 0.00 0.00 54.97 56.21 1hic s GLU 35 Cb 0.00 -1.72 0.09 0.00 0.10 0.00 0.00 34.13 32.60 1hic s GLU 35 CO 0.00 -2.69 0.88 0.15 0.02 0.00 0.00 175.26 173.62 1hic s LYS 36 N -4.69 2.07 0.29 1.61 3.01 -1.26 -3.94 119.74 116.82 1hic s LYS 36 Ca 0.66 -1.13 -0.30 0.00 -1.01 0.00 0.00 55.97 54.19 1hic s LYS 36 Cb -0.22 -2.45 -0.11 0.00 -1.01 0.00 0.00 37.83 34.04 1hic s LYS 36 CO 0.59 -1.09 1.55 -0.80 0.51 0.00 0.00 175.35 176.11 1hic s ASN 37 N -4.62 6.44 -0.22 2.83 -0.87 -1.26 -1.67 114.94 115.56 1hic s ASN 37 Ca 0.63 2.89 -0.03 0.00 -1.57 0.00 0.00 52.86 54.78 1hic s ASN 37 Cb -0.07 -2.63 0.07 0.00 -0.02 0.00 0.00 41.25 38.60 1hic s ASN 37 CO 0.41 -0.86 0.07 -1.10 -2.57 0.00 0.00 177.10 173.05 1hic s GLN 38 N -0.57 0.49 -0.89 -0.60 -0.21 0.63 -4.77 119.66 113.74 1hic s GLN 38 Ca 0.62 -0.48 -0.23 0.00 0.02 0.00 0.00 55.36 55.29 1hic s GLN 38 Cb -0.46 -1.91 0.06 0.00 1.00 0.00 0.00 33.01 31.70 1hic s GLN 38 CO 0.48 -0.75 1.29 0.00 -2.12 0.00 0.00 175.29 174.19 1hic s VAL 40 N 4.65 3.98 0.87 0.00 -7.23 0.80 -4.86 120.40 118.61 1hic s VAL 40 Ca 0.38 -0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.23 1hic s VAL 40 Cb -0.05 -3.52 0.11 0.00 0.56 0.00 0.00 36.38 33.49 1hic s VAL 40 CO -0.01 -0.45 1.11 0.28 -0.31 0.00 0.00 175.10 175.71 1hic s THR 41 N -2.76 2.54 0.00 5.32 -1.32 -1.26 -0.36 115.64 117.80 1hic s THR 41 Ca 0.50 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1hic s THR 41 Cb -0.10 -2.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 1hic s THR 41 CO 0.42 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1hic n GLY 42 N -1.90 2.65 3.76 6.08 0.00 0.67 -4.40 105.19 112.05 1hic n GLY 42 Ca 0.07 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 1hic n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hic s GLU 43 N -5.10 3.44 0.05 1.61 2.12 -1.25 -1.22 118.70 118.35 1hic s GLU 43 Ca 0.00 1.98 0.01 0.00 0.36 0.00 0.00 54.97 57.31 1hic s GLU 43 Cb 0.00 -2.31 -0.00 0.00 0.26 0.00 0.00 34.13 32.08 1hic s GLU 43 CO 0.00 -0.87 0.05 0.41 -0.54 0.00 0.00 175.26 174.31 1hic n GLY 44 N 0.57 3.56 3.72 -1.50 0.00 -1.25 -4.86 105.19 105.44 1hic n GLY 44 Ca 0.09 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.30 3.70 0.37 2.61 2.01 -1.24 -4.81 115.64 115.98 1hic s THR 45 Ca 0.05 1.28 -0.24 0.00 0.31 0.00 0.00 61.69 63.09 1hic s THR 45 Cb 0.00 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 1hic s THR 45 CO 0.04 0.13 0.97 -2.16 -0.69 0.00 0.00 174.62 172.91 1hic s PRO 46 N 0.67 4.38 -0.21 4.92 0.04 -1.26 -0.33 135.00 143.21 1hic s PRO 46 Ca 0.58 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1hic s PRO 46 Cb -0.32 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1hic s PRO 46 CO 0.32 0.09 1.23 0.21 0.04 0.00 0.00 177.00 178.89 1hic s LYS 47 N -2.49 4.16 0.28 4.56 2.36 0.11 -4.78 119.74 123.94 1hic s LYS 47 Ca 0.55 1.51 -0.29 0.00 -2.55 0.00 0.00 55.97 55.19 1hic s LYS 47 Cb -0.17 -3.77 -0.10 0.00 -1.05 0.00 0.00 37.83 32.75 1hic s LYS 47 CO 0.21 -0.79 1.12 -1.25 1.55 0.00 0.00 175.35 176.19 1hic s PRO 48 N 3.61 4.62 0.69 4.03 0.04 -1.26 -4.93 135.00 141.80 1hic s PRO 48 Ca 0.53 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 1hic s PRO 48 Cb -0.19 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1hic s PRO 48 CO 0.15 0.18 1.15 -0.65 0.04 0.00 0.00 177.00 177.87 1hic s GLN 49 N -1.47 2.48 0.11 4.56 -1.52 -1.26 -4.96 119.66 117.60 1hic s GLN 49 Ca 0.45 1.56 -0.13 0.00 -1.95 0.00 0.00 55.36 55.29 1hic s GLN 49 Cb -0.33 -1.89 -0.11 0.00 -0.22 0.00 0.00 33.01 30.46 1hic s GLN 49 CO 0.42 -1.53 1.38 1.03 -0.25 0.00 0.00 175.29 176.33 1hic h SER 50 N -0.13 0.91 0.00 5.90 0.87 -2.01 -3.55 113.55 115.53 1hic h SER 50 Ca -0.47 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 1hic h SER 50 Cb 1.27 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1hic h SER 50 CO 0.52 1.29 0.00 0.00 -0.53 0.00 0.00 176.83 178.11