#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssu s GLN 2 N 0.00 1.05 0.24 -1.24 -0.21 -1.26 -5.17 119.66 113.08 1ssu s GLN 2 Ca 0.00 -1.44 0.01 0.00 0.02 0.00 0.00 55.36 53.95 1ssu s GLN 2 Cb 0.00 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 1ssu s GLN 2 CO 0.00 -0.33 0.13 -1.21 -2.12 0.00 0.00 175.29 171.75 1ssu s GLU 3 N -4.06 1.37 0.17 2.91 2.02 -1.26 -5.13 118.70 114.72 1ssu s GLU 3 Ca 0.27 -1.74 0.01 0.00 0.02 0.00 0.00 54.97 53.52 1ssu s GLU 3 Cb 0.06 -0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.24 1ssu s GLU 3 CO 0.04 -0.37 0.04 -1.54 0.02 0.00 0.00 175.26 173.46 1ssu s SER 4 N -3.26 0.85 0.00 -0.19 1.04 -1.26 -4.69 113.70 106.18 1ssu s SER 4 Ca 0.38 -1.23 0.29 0.00 0.48 0.00 0.00 55.95 55.87 1ssu s SER 4 Cb 0.07 0.20 1.58 0.00 0.10 0.00 0.00 66.02 67.97 1ssu s SER 4 CO 0.14 -0.66 2.03 0.00 0.98 0.00 0.00 173.24 175.74 1ssu s LYS 6 N -1.99 3.66 0.00 0.00 3.01 -1.26 -1.04 119.74 122.11 1ssu s LYS 6 Ca 0.42 1.59 0.00 0.00 -1.01 0.00 0.00 55.97 56.97 1ssu s LYS 6 Cb 0.20 -4.09 0.00 0.00 -1.01 0.00 0.00 37.83 32.94 1ssu s LYS 6 CO 0.33 -1.46 0.00 0.41 0.51 0.00 0.00 175.35 175.14 1ssu n GLY 7 N 4.90 0.49 0.00 -3.33 0.00 -1.26 -4.93 105.19 101.05 1ssu n GLY 7 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.90 2.92 -1.64 1.61 1.74 -0.21 -5.04 116.66 113.13 1ssu n ARG 8 Ca 0.00 0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 56.55 1ssu n ARG 8 Cb 0.00 -0.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 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 3.41 -0.78 0.28 0.00 -1.04 -0.05 -4.96 114.28 111.14 1ssu n THR 10 Ca 0.21 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.35 1ssu n THR 10 Cb 0.18 -2.22 0.62 0.00 -1.82 0.00 0.00 70.33 67.09 1ssu n THR 10 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1ssu h GLU 11 N -0.18 0.00 -0.09 -2.82 4.11 -1.39 -3.49 114.58 110.72 1ssu h GLU 11 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1ssu h GLU 11 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ssu h GLU 11 CO 0.38 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.87 1ssu n GLY 12 N -0.66 0.13 3.77 1.06 0.00 -1.26 -5.08 105.19 103.15 1ssu n GLY 12 Ca -0.00 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.20 2.70 -0.30 1.61 2.19 -1.26 -4.95 117.98 117.77 1ssu s PHE 13 Ca 0.00 1.54 -0.07 0.00 0.33 0.00 0.00 56.93 58.73 1ssu s PHE 13 Cb 0.00 -3.31 0.17 0.00 -1.31 0.00 0.00 43.02 38.57 1ssu s PHE 13 CO 0.00 -1.57 0.74 1.21 1.83 0.00 0.00 175.22 177.42 1ssu s ASN 14 N -1.69 -1.07 0.25 6.13 2.47 -1.26 -5.07 114.94 114.69 1ssu s ASN 14 Ca 0.71 0.97 0.20 0.00 0.42 0.00 0.00 52.86 55.16 1ssu s ASN 14 Cb -0.25 2.02 0.96 0.00 -1.45 0.00 0.00 41.25 42.53 1ssu s ASN 14 CO 0.28 -0.20 1.61 0.55 -3.72 0.00 0.00 177.10 175.62 1ssu n VAL 15 N 5.38 1.04 0.41 -5.21 3.14 -1.26 -1.69 118.33 120.13 1ssu n VAL 15 Ca -0.06 0.48 0.13 0.00 -2.96 0.00 0.00 64.34 61.94 1ssu n VAL 15 Cb 0.51 -1.44 0.43 0.00 -1.06 0.00 0.00 33.84 32.28 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 -4.23 6.55 3.58 -1.97 -3.46 116.42 116.88 1ssu h ASP 16 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 1ssu h ASP 16 Cb 0.16 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.32 1ssu h ASP 16 CO 0.00 0.00 0.36 -0.54 -2.88 0.00 0.00 179.24 176.18 1ssu s LYS 17 N -3.29 2.60 0.00 0.28 1.02 -0.68 -4.96 119.74 114.70 1ssu s LYS 17 Ca 0.06 1.33 0.25 0.00 0.02 0.00 0.00 55.97 57.64 1ssu s LYS 17 Cb 0.09 -1.93 1.10 0.00 -0.52 0.00 0.00 37.83 36.58 1ssu s LYS 17 CO 0.55 -1.40 1.81 1.63 -0.92 0.00 0.00 175.35 177.02 1ssu n LYS 18 N -2.78 0.04 -3.89 1.68 4.01 -1.26 -4.67 118.16 111.29 1ssu n LYS 18 Ca 0.10 0.06 -0.11 0.00 -0.51 0.00 0.00 58.31 57.86 1ssu n LYS 18 Cb 0.52 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.44 1ssu n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ssu n GLN 20 N 1.55 4.03 -0.29 0.00 3.00 -1.26 -4.90 117.38 119.51 1ssu n GLN 20 Ca -0.23 -4.69 -0.01 0.00 -0.01 0.00 0.00 57.00 52.06 1ssu n GLN 20 Cb 0.56 -2.38 -0.02 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 2.13 -0.04 0.37 0.00 2.15 -1.26 -0.87 116.67 119.14 1ssu s ASP 22 Ca 0.07 -0.99 0.10 0.00 0.43 0.00 0.00 52.55 52.17 1ssu s ASP 22 Cb 0.04 0.53 0.86 0.00 -0.30 0.00 0.00 42.92 44.05 1ssu s ASP 22 CO 0.00 -1.06 1.87 -0.33 -0.17 0.00 0.00 175.17 175.48 1ssu h GLU 23 N 2.35 0.62 -0.01 4.34 5.08 -1.94 -2.91 114.58 122.13 1ssu h GLU 23 Ca -0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1ssu h GLU 23 Cb 1.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ssu h GLU 23 CO 0.40 0.41 -0.04 1.28 -1.00 0.00 0.00 179.01 180.06 1ssu n LEU 24 N -4.56 0.67 -0.04 1.33 4.77 -1.26 -4.48 117.00 113.43 1ssu n LEU 24 Ca 0.18 -0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 1ssu n LEU 24 Cb 0.51 -0.06 0.32 0.00 -2.33 0.00 0.00 43.42 41.85 1ssu n LEU 24 CO 0.29 0.12 1.05 0.00 -1.33 0.00 0.00 177.39 177.51 1ssu h SER 26 N 0.61 0.00 0.71 0.00 0.02 -1.86 0.84 113.55 113.88 1ssu h SER 26 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ssu h SER 26 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ssu h SER 26 CO -0.01 0.16 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 1ssu n TYR 27 N -4.08 0.79 0.02 3.45 9.36 -1.10 -3.41 117.16 122.19 1ssu n TYR 27 Ca -0.02 0.31 0.01 0.00 3.32 0.00 0.00 57.90 61.53 1ssu n TYR 27 Cb 0.24 -1.01 -0.02 0.00 -0.63 0.00 0.00 39.34 37.92 1ssu n TYR 27 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ssu n TYR 28 N -2.23 0.00 -0.80 2.98 4.01 -0.43 -5.03 117.16 115.66 1ssu n TYR 28 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1ssu n TYR 28 Cb 0.22 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1ssu n TYR 28 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ssu n GLN 29 N -1.51 -1.18 0.00 -0.72 3.00 0.16 -4.87 117.38 112.26 1ssu n GLN 29 Ca -0.00 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.40 1ssu n GLN 29 Cb 0.07 -4.78 0.72 0.00 0.00 0.00 0.00 30.24 26.25 1ssu n GLN 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ssu n SER 30 N -0.59 0.00 -4.33 1.08 7.64 -1.25 -4.98 113.62 111.19 1ssu n SER 30 Ca 0.00 -0.69 -0.33 0.00 1.01 0.00 0.00 58.87 58.86 1ssu n SER 30 Cb 0.30 -0.03 0.12 0.00 -1.01 0.00 0.00 64.21 63.58 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssu n THR 33 N 1.07 1.45 -2.17 0.00 -2.24 -1.26 -1.75 114.28 109.38 1ssu n THR 33 Ca 0.12 0.36 0.03 0.00 -2.27 0.00 0.00 64.05 62.29 1ssu n THR 33 Cb 0.29 -1.30 0.03 0.00 -2.10 0.00 0.00 70.33 67.24 1ssu n THR 33 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ssu n ASP 34 N -1.41 0.66 -0.24 3.42 2.03 -1.26 -5.00 116.55 114.74 1ssu n ASP 34 Ca 0.01 -2.15 0.04 0.00 0.52 0.00 0.00 54.79 53.21 1ssu n ASP 34 Cb 0.04 -0.27 0.09 0.00 -0.72 0.00 0.00 41.12 40.25 1ssu n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssu n TYR 35 N 0.11 0.23 0.22 -0.67 9.36 -0.72 -0.94 117.16 124.75 1ssu n TYR 35 Ca 0.04 0.82 0.08 0.00 3.32 0.00 0.00 57.90 62.16 1ssu n TYR 35 Cb 0.90 -0.88 0.36 0.00 -0.63 0.00 0.00 39.34 39.10 1ssu n TYR 35 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1ssu n THR 36 N -5.09 1.25 0.00 2.97 -2.24 -1.26 -0.47 114.28 109.44 1ssu n THR 36 Ca 0.11 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 1ssu n THR 36 Cb 0.33 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1ssu n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssu n ALA 37 N -1.66 1.97 -0.05 6.98 0.00 -0.29 -4.72 120.51 122.73 1ssu n ALA 37 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1ssu n ALA 37 Cb 0.09 0.19 -0.13 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.85 0.67 0.00 0.00 -0.58 -0.11 -4.77 120.64 114.00 1ssu n GLU 38 Ca 0.00 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1ssu n GLU 38 Cb 0.37 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1ssu n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ssu n LYS 40 N -0.88 0.32 -1.45 0.00 4.81 0.38 -4.53 118.16 116.80 1ssu n LYS 40 Ca 0.00 0.10 -0.29 0.00 -0.87 0.00 0.00 58.31 57.24 1ssu n LYS 40 Cb 0.00 -1.74 0.12 0.00 0.02 0.00 0.00 35.03 33.43 1ssu n LYS 40 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ssu s PRO 41 N 5.26 1.56 0.50 1.64 0.04 -1.26 -5.03 135.00 137.71 1ssu s PRO 41 Ca 1.13 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 1ssu s PRO 41 Cb -1.34 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 1ssu s PRO 41 CO 0.66 -1.97 1.24 -0.65 0.04 0.00 0.00 177.00 176.32 1ssu s GLN 42 N -5.13 3.47 -0.06 4.56 -0.21 -1.26 -5.06 119.66 115.96 1ssu s GLN 42 Ca 0.62 1.96 -0.04 0.00 0.02 0.00 0.00 55.36 57.92 1ssu s GLN 42 Cb -0.15 -2.32 0.03 0.00 1.00 0.00 0.00 33.01 31.56 1ssu s GLN 42 CO 0.55 -0.84 0.15 0.08 -2.12 0.00 0.00 175.29 173.10 1ssu s VAL 43 N -1.45 -0.02 0.45 1.09 1.01 -1.26 -5.17 120.40 115.04 1ssu s VAL 43 Ca 0.68 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 1ssu s VAL 43 Cb -0.33 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.74 1ssu s VAL 43 CO 0.40 0.03 0.89 0.28 0.00 0.00 0.00 175.10 176.71 1ssu s THR 44 N 0.60 4.60 0.34 3.92 -1.32 -1.26 -4.99 115.64 117.53 1ssu s THR 44 Ca -0.04 1.05 0.18 0.00 -1.21 0.00 0.00 61.69 61.67 1ssu s THR 44 Cb -0.06 -3.70 0.16 0.00 -1.51 0.00 0.00 72.50 67.40 1ssu s THR 44 CO -0.03 -0.54 1.88 -0.09 -2.21 0.00 0.00 174.62 173.63 1ssu h ARG 45 N 1.27 0.00 0.00 7.08 2.43 -2.02 -3.47 114.38 119.67 1ssu h ARG 45 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1ssu h ARG 45 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1ssu h ARG 45 CO 0.62 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.79 1ssu n GLY 46 N -0.39 1.79 3.20 2.80 0.00 -1.26 -5.04 105.19 106.29 1ssu n GLY 46 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1ssu n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ssu s ASP 47 N -1.20 -0.22 -0.06 1.61 2.15 -1.26 -5.17 116.67 112.53 1ssu s ASP 47 Ca 0.00 0.84 -0.25 0.00 0.43 0.00 0.00 52.55 53.57 1ssu s ASP 47 Cb 0.00 0.96 0.06 0.00 -0.30 0.00 0.00 42.92 43.64 1ssu s ASP 47 CO 0.00 -0.22 0.57 0.54 -0.17 0.00 0.00 175.17 175.89 1ssu s VAL 48 N 2.08 0.02 0.38 1.11 0.11 -1.26 -5.08 120.40 117.76 1ssu s VAL 48 Ca -0.04 -0.13 0.22 0.00 -2.93 0.00 0.00 61.98 59.10 1ssu s VAL 48 Cb -0.11 -0.87 0.23 0.00 -1.53 0.00 0.00 36.38 34.10 1ssu s VAL 48 CO -0.12 -0.07 1.98 2.19 -3.33 0.00 0.00 175.10 175.75 1ssu h PHE 49 N 3.48 0.00 -2.55 1.54 -0.00 -2.08 -3.44 116.94 113.90 1ssu h PHE 49 Ca -0.28 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.64 1ssu h PHE 49 Cb 1.15 0.00 -0.16 0.00 -0.00 0.00 0.00 35.95 36.94 1ssu h PHE 49 CO 0.42 0.19 0.15 -0.08 -0.00 0.00 0.00 178.31 178.99 1ssu s THR 50 N -4.18 0.01 0.00 0.88 -1.32 -1.26 -5.34 115.64 104.43 1ssu s THR 50 Ca -0.03 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1ssu s THR 50 Cb 0.13 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1ssu s THR 50 CO 0.63 -0.04 0.00 0.80 -2.21 0.00 0.00 174.62 173.80