#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssu n GLN 2 N 0.00 0.96 -4.00 -0.67 -0.00 -1.26 -5.18 117.38 107.23 1ssu n GLN 2 Ca 0.00 -2.43 -0.17 0.00 -0.00 0.00 0.00 57.00 54.39 1ssu n GLN 2 Cb 0.00 2.73 -0.16 0.00 -0.00 0.00 0.00 30.24 32.81 1ssu n GLN 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1ssu s GLU 3 N -2.36 0.43 0.03 2.61 2.56 -1.26 -5.16 118.70 115.55 1ssu s GLU 3 Ca 0.21 0.01 -0.16 0.00 0.00 0.00 0.00 54.97 55.03 1ssu s GLU 3 Cb -0.03 -0.55 0.03 0.00 2.00 0.00 0.00 34.13 35.57 1ssu s GLU 3 CO 0.15 -0.10 0.35 -1.12 -0.56 0.00 0.00 175.26 173.98 1ssu s SER 4 N 0.90 -0.21 0.06 -1.70 0.01 -1.26 -4.97 113.70 106.53 1ssu s SER 4 Ca -0.10 -0.05 0.26 0.00 1.31 0.00 0.00 55.95 57.37 1ssu s SER 4 Cb -0.13 0.38 1.04 0.00 0.21 0.00 0.00 66.02 67.52 1ssu s SER 4 CO -0.01 -0.60 1.82 0.00 0.41 0.00 0.00 173.24 174.86 1ssu s LYS 6 N -3.04 2.57 0.00 0.00 1.02 -1.26 -0.59 119.74 118.44 1ssu s LYS 6 Ca 0.12 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1ssu s LYS 6 Cb 0.16 -4.53 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 1ssu s LYS 6 CO 0.50 -2.91 0.00 0.41 -0.92 0.00 0.00 175.35 172.43 1ssu n GLY 7 N 5.94 0.83 0.00 -3.33 0.00 -1.26 -5.02 105.19 102.36 1ssu n GLY 7 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ssu n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssu n ARG 8 N 0.00 2.39 -1.39 1.61 1.74 0.24 -5.13 116.66 116.11 1ssu n ARG 8 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1ssu n ARG 8 Cb 0.00 -0.64 0.01 0.00 -1.02 0.00 0.00 32.46 30.81 1ssu n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ssu n THR 10 N -1.13 -0.28 0.48 0.00 -1.04 -0.45 -4.94 114.28 106.93 1ssu n THR 10 Ca 0.11 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.22 1ssu n THR 10 Cb 0.42 -1.70 0.41 0.00 -1.82 0.00 0.00 70.33 67.63 1ssu n THR 10 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1ssu n GLU 11 N -2.46 0.10 0.00 -2.82 0.28 -1.22 -4.99 120.64 109.53 1ssu n GLU 11 Ca -0.14 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1ssu n GLU 11 Cb 0.51 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.70 1ssu n GLU 11 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ssu n GLY 12 N 0.11 1.07 3.77 -1.84 0.00 -1.26 -5.08 105.19 101.96 1ssu n GLY 12 Ca 0.03 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1ssu n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ssu s PHE 13 N -0.30 3.12 -0.24 1.61 5.36 -1.26 -4.88 117.98 121.40 1ssu s PHE 13 Ca 0.00 1.54 -0.04 0.00 -0.96 0.00 0.00 56.93 57.48 1ssu s PHE 13 Cb 0.00 -3.44 0.13 0.00 -0.34 0.00 0.00 43.02 39.37 1ssu s PHE 13 CO 0.00 -1.33 0.43 1.21 -1.46 0.00 0.00 175.22 174.07 1ssu s ASN 14 N -0.97 -0.18 0.00 6.13 3.84 -1.26 -5.07 114.94 117.43 1ssu s ASN 14 Ca 0.54 0.58 0.21 0.00 0.21 0.00 0.00 52.86 54.40 1ssu s ASN 14 Cb -0.33 1.38 0.94 0.00 -0.55 0.00 0.00 41.25 42.68 1ssu s ASN 14 CO 0.42 -0.27 1.66 0.55 -2.79 0.00 0.00 177.10 176.66 1ssu n VAL 15 N 5.38 0.51 0.21 -5.21 3.14 -1.26 -2.65 118.33 118.46 1ssu n VAL 15 Ca -0.05 0.13 0.10 0.00 -2.96 0.00 0.00 64.34 61.56 1ssu n VAL 15 Cb 0.50 -0.78 0.17 0.00 -1.06 0.00 0.00 33.84 32.67 1ssu n VAL 15 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1ssu h ASP 16 N 0.00 0.00 -4.17 6.55 3.58 -1.97 -3.48 116.42 116.93 1ssu h ASP 16 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1ssu h ASP 16 Cb 0.30 0.00 0.13 0.00 1.72 0.00 0.00 39.33 41.48 1ssu h ASP 16 CO 0.00 0.10 0.29 -0.54 -2.88 0.00 0.00 179.24 176.20 1ssu s LYS 17 N -3.19 1.34 0.41 0.28 -0.14 -1.08 -4.98 119.74 112.37 1ssu s LYS 17 Ca 0.06 0.51 0.27 0.00 -1.36 0.00 0.00 55.97 55.46 1ssu s LYS 17 Cb 0.06 -1.84 0.88 0.00 -1.68 0.00 0.00 37.83 35.24 1ssu s LYS 17 CO 0.68 -2.11 1.78 0.87 -0.76 0.00 0.00 175.35 175.81 1ssu h LYS 18 N -1.44 0.00 -3.84 1.68 6.56 -1.92 -3.43 116.57 114.19 1ssu h LYS 18 Ca -0.50 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 58.93 1ssu h LYS 18 Cb 1.30 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.76 1ssu h LYS 18 CO 0.59 0.00 -0.63 0.00 -2.06 0.00 0.00 179.45 177.35 1ssu n GLN 20 N 1.53 4.50 -0.20 0.00 3.00 -1.26 -4.87 117.38 120.07 1ssu n GLN 20 Ca -0.24 -4.54 -0.01 0.00 -0.01 0.00 0.00 57.00 52.21 1ssu n GLN 20 Cb 0.55 -2.38 -0.01 0.00 0.00 0.00 0.00 30.24 28.40 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ssu s ASP 22 N 2.08 0.05 0.42 0.00 2.15 -1.26 -1.34 116.67 118.78 1ssu s ASP 22 Ca 0.03 -0.86 0.20 0.00 0.43 0.00 0.00 52.55 52.35 1ssu s ASP 22 Cb 0.01 0.43 1.14 0.00 -0.30 0.00 0.00 42.92 44.20 1ssu s ASP 22 CO 0.00 -0.88 1.82 -0.33 -0.17 0.00 0.00 175.17 175.61 1ssu h GLU 23 N 2.56 0.35 0.00 4.34 5.08 -1.94 -2.51 114.58 122.46 1ssu h GLU 23 Ca -0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1ssu h GLU 23 Cb 1.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ssu h GLU 23 CO 0.49 0.23 0.00 1.28 -1.00 0.00 0.00 179.01 180.01 1ssu n LEU 24 N -4.52 0.64 0.28 1.33 4.77 -1.26 -4.10 117.00 114.14 1ssu n LEU 24 Ca 0.22 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.93 1ssu n LEU 24 Cb 0.81 -0.43 0.82 0.00 -2.33 0.00 0.00 43.42 42.30 1ssu n LEU 24 CO 0.30 -0.28 1.04 0.00 -1.33 0.00 0.00 177.39 177.12 1ssu n SER 26 N -3.70 0.42 -0.07 0.00 3.41 -1.26 -1.03 113.62 111.39 1ssu n SER 26 Ca -0.02 0.62 -0.22 0.00 -0.26 0.00 0.00 58.87 58.98 1ssu n SER 26 Cb 0.17 -0.70 -0.12 0.00 -0.26 0.00 0.00 64.21 63.29 1ssu n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu n TYR 27 N -1.98 0.77 0.46 7.33 9.36 -0.73 -4.51 117.16 127.84 1ssu n TYR 27 Ca 0.02 0.22 0.13 0.00 3.32 0.00 0.00 57.90 61.59 1ssu n TYR 27 Cb 0.18 -1.09 0.44 0.00 -0.63 0.00 0.00 39.34 38.24 1ssu n TYR 27 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1ssu h TYR 28 N -0.39 0.00 -0.81 2.98 0.05 -1.45 -3.47 116.97 113.88 1ssu h TYR 28 Ca -0.48 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 57.96 1ssu h TYR 28 Cb 1.75 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 39.35 1ssu h TYR 28 CO 0.05 0.00 -0.31 1.04 -1.05 0.00 0.00 178.16 177.88 1ssu n GLN 29 N -2.44 -1.42 0.00 4.88 1.13 -0.20 -4.90 117.38 114.43 1ssu n GLN 29 Ca 0.04 1.09 0.11 0.00 -1.94 0.00 0.00 57.00 56.30 1ssu n GLN 29 Cb 0.35 -5.43 -0.01 0.00 0.11 0.00 0.00 30.24 25.27 1ssu n GLN 29 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ssu n SER 30 N -1.12 1.98 -4.44 1.08 3.41 -1.24 -5.06 113.62 108.24 1ssu n SER 30 Ca -0.17 -1.49 -0.31 0.00 -0.26 0.00 0.00 58.87 56.64 1ssu n SER 30 Cb 0.62 0.50 0.20 0.00 -0.26 0.00 0.00 64.21 65.27 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu h THR 33 N 0.68 0.40 0.00 0.00 2.02 -1.93 -2.64 112.91 111.44 1ssu h THR 33 Ca -0.47 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 1ssu h THR 33 Cb 1.37 0.70 -0.26 0.00 -1.74 0.00 0.00 68.15 68.22 1ssu h THR 33 CO 0.51 0.00 -0.86 0.47 0.37 0.00 0.00 175.52 176.02 1ssu n ASP 34 N -3.74 1.17 -0.26 4.18 8.00 -1.26 -4.99 116.55 119.66 1ssu n ASP 34 Ca 0.06 -2.53 -0.05 0.00 0.71 0.00 0.00 54.79 52.97 1ssu n ASP 34 Cb 0.53 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1ssu n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssu n TYR 35 N 0.01 -0.18 0.50 1.24 9.36 -1.00 -0.65 117.16 126.44 1ssu n TYR 35 Ca 0.09 0.78 0.06 0.00 3.32 0.00 0.00 57.90 62.15 1ssu n TYR 35 Cb 1.00 -0.61 0.28 0.00 -0.63 0.00 0.00 39.34 39.38 1ssu n TYR 35 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1ssu n THR 36 N -4.82 0.90 0.00 2.97 -1.04 -1.26 -0.79 114.28 110.24 1ssu n THR 36 Ca 0.03 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1ssu n THR 36 Cb 0.19 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 1ssu n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ssu n ALA 37 N -1.37 1.98 0.00 2.41 0.00 -0.19 -4.76 120.51 118.58 1ssu n ALA 37 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ssu n ALA 37 Cb 0.11 0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1ssu n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ssu n GLU 38 N -2.04 2.40 0.00 0.00 -0.58 0.17 -4.71 120.64 115.88 1ssu n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ssu n GLU 38 Cb 0.49 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 1ssu n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ssu s LYS 40 N -0.10 4.17 -0.31 0.00 2.20 0.03 -4.66 119.74 121.08 1ssu s LYS 40 Ca 0.00 2.40 -0.42 0.00 -0.36 0.00 0.00 55.97 57.59 1ssu s LYS 40 Cb 0.00 -3.75 -0.17 0.00 -1.51 0.00 0.00 37.83 32.40 1ssu s LYS 40 CO 0.00 -0.81 1.64 -2.30 -0.36 0.00 0.00 175.35 173.52 1ssu n PRO 41 N 6.16 0.74 -2.02 4.03 -0.02 -1.26 -4.86 135.00 137.78 1ssu n PRO 41 Ca 0.17 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1ssu n PRO 41 Cb 0.40 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1ssu n PRO 41 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ssu s GLN 42 N 3.00 4.26 -0.77 -0.52 -0.21 -1.26 -4.95 119.66 119.22 1ssu s GLN 42 Ca 0.99 2.28 -0.26 0.00 0.02 0.00 0.00 55.36 58.40 1ssu s GLN 42 Cb -1.21 -3.14 0.01 0.00 1.00 0.00 0.00 33.01 29.67 1ssu s GLN 42 CO 0.69 -0.47 1.56 0.08 -2.12 0.00 0.00 175.29 175.03 1ssu s VAL 43 N 0.48 3.61 0.93 1.09 1.01 -1.26 -5.00 120.40 121.26 1ssu s VAL 43 Ca 0.63 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1ssu s VAL 43 Cb -0.42 -4.54 0.15 0.00 0.00 0.00 0.00 36.38 31.57 1ssu s VAL 43 CO 0.38 -1.48 1.11 0.28 0.00 0.00 0.00 175.10 175.39 1ssu s THR 44 N 7.14 2.35 0.00 3.92 -1.32 -1.26 -5.01 115.64 121.45 1ssu s THR 44 Ca 0.51 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 61.10 1ssu s THR 44 Cb -0.08 -2.27 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 1ssu s THR 44 CO 0.11 -0.15 0.00 -1.14 -2.21 0.00 0.00 174.62 171.23 1ssu n ARG 45 N -4.18 2.00 -1.15 7.08 3.00 -1.26 -5.06 116.66 117.09 1ssu n ARG 45 Ca 0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.89 1ssu n ARG 45 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 32.46 32.78 1ssu n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ssu n GLY 46 N 0.17 0.63 0.74 5.14 0.00 -1.26 -4.82 105.19 105.79 1ssu n GLY 46 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1ssu n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssu n ASP 47 N -0.55 0.16 -4.02 1.61 2.03 -1.26 -5.11 116.55 109.41 1ssu n ASP 47 Ca -0.05 -1.85 -0.10 0.00 0.52 0.00 0.00 54.79 53.30 1ssu n ASP 47 Cb 0.39 -0.17 -0.11 0.00 -0.72 0.00 0.00 41.12 40.51 1ssu n ASP 47 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ssu s VAL 48 N 0.00 0.28 0.10 5.18 -7.23 -1.26 -5.06 120.40 112.40 1ssu s VAL 48 Ca 0.07 -1.03 0.22 0.00 -1.81 0.00 0.00 61.98 59.42 1ssu s VAL 48 Cb 0.08 -0.47 0.19 0.00 0.56 0.00 0.00 36.38 36.74 1ssu s VAL 48 CO -0.04 -0.49 1.76 0.15 -0.31 0.00 0.00 175.10 176.17 1ssu h PHE 49 N 4.49 0.00 0.00 2.82 3.57 -2.04 -3.33 116.94 122.45 1ssu h PHE 49 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1ssu h PHE 49 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1ssu h PHE 49 CO 0.65 0.29 0.00 1.79 -2.23 0.00 0.00 178.31 178.81 1ssu h THR 50 N 0.00 0.00 0.00 4.41 1.35 -2.05 -3.55 112.91 113.07 1ssu h THR 50 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1ssu h THR 50 Cb 0.86 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1ssu h THR 50 CO 0.04 0.00 0.00 0.80 -0.25 0.00 0.00 175.52 176.11