#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 0.56 -0.44 0.11 -0.21 -1.26 -5.14 119.66 113.28 1ssu s GLN 2 Ca 0.00 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 54.35 1ssu s GLN 2 Cb 0.00 0.20 0.18 0.00 1.00 0.00 0.00 33.01 34.38 1ssu s GLN 2 CO 0.00 -0.11 0.52 -2.00 -2.12 0.00 0.00 175.29 171.59 1ssu s GLU 3 N -3.42 0.91 0.25 2.91 2.56 -1.26 -5.15 118.70 115.50 1ssu s GLU 3 Ca 0.02 -1.30 0.02 0.00 0.00 0.00 0.00 54.97 53.71 1ssu s GLU 3 Cb 0.04 -0.62 -0.04 0.00 2.00 0.00 0.00 34.13 35.52 1ssu s GLU 3 CO -0.08 -1.31 0.17 -1.54 -0.56 0.00 0.00 175.26 171.94 1ssu s SER 4 N 0.80 0.73 0.00 -1.70 1.04 -1.26 -4.94 113.70 108.37 1ssu s SER 4 Ca 0.27 -1.51 0.19 0.00 0.48 0.00 0.00 55.95 55.39 1ssu s SER 4 Cb -0.02 0.42 0.89 0.00 0.10 0.00 0.00 66.02 67.41 1ssu s SER 4 CO -0.09 -0.90 1.62 0.00 0.98 0.00 0.00 173.24 174.84 1ssu s LYS 6 N -2.83 2.57 0.00 0.00 1.02 -1.26 -0.55 119.74 118.68 1ssu s LYS 6 Ca 0.13 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1ssu s LYS 6 Cb 0.13 -4.69 0.00 0.00 -0.52 0.00 0.00 37.83 32.75 1ssu s LYS 6 CO 0.33 -3.05 0.00 0.41 -0.92 0.00 0.00 175.35 172.13 1ssu n GLY 7 N 6.21 0.99 0.00 -3.33 0.00 -1.26 -5.01 105.19 102.79 1ssu n GLY 7 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.07 3.42 -1.62 1.61 1.74 0.28 -5.01 116.66 117.01 1ssu n ARG 8 Ca 0.00 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.57 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 2.93 -0.34 0.28 0.00 -1.04 0.41 -4.91 114.28 111.60 1ssu n THR 10 Ca 0.19 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.34 1ssu n THR 10 Cb 0.21 -2.10 0.82 0.00 -1.82 0.00 0.00 70.33 67.44 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 0.00 0.00 0.00 -2.82 4.11 -1.43 -3.49 114.58 110.95 1ssu h GLU 11 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1ssu h GLU 11 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ssu h GLU 11 CO 0.54 0.07 0.00 0.41 0.07 0.00 0.00 179.01 180.10 1ssu n GLY 12 N -0.88 2.98 3.69 1.06 0.00 -1.26 -5.06 105.19 105.71 1ssu n GLY 12 Ca -0.02 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.89 2.80 -0.46 1.61 5.36 -1.26 -4.71 117.98 118.44 1ssu s PHE 13 Ca 0.00 0.76 0.05 0.00 -0.96 0.00 0.00 56.93 56.78 1ssu s PHE 13 Cb 0.00 -3.70 0.18 0.00 -0.34 0.00 0.00 43.02 39.16 1ssu s PHE 13 CO 0.00 -2.61 0.50 0.09 -1.46 0.00 0.00 175.22 171.74 1ssu n ASN 14 N 5.41 -1.73 0.17 6.13 4.13 -1.26 -5.01 115.26 123.11 1ssu n ASN 14 Ca 0.13 -2.60 0.12 0.00 1.68 0.00 0.00 54.58 53.92 1ssu n ASN 14 Cb 0.43 0.41 0.62 0.00 -1.54 0.00 0.00 39.78 39.70 1ssu n ASN 14 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1ssu h VAL 15 N 4.77 0.00 0.00 2.41 3.04 -1.93 -2.38 116.25 122.16 1ssu h VAL 15 Ca 0.18 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1ssu h VAL 15 Cb 0.99 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1ssu h VAL 15 CO 0.22 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 175.88 1ssu n ASP 16 N -2.35 0.00 -4.81 3.17 5.75 -1.26 -4.90 116.55 112.15 1ssu n ASP 16 Ca -0.01 0.03 -0.23 0.00 -0.01 0.00 0.00 54.79 54.57 1ssu n ASP 16 Cb 0.09 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 39.81 1ssu n ASP 16 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ssu s LYS 17 N -2.64 2.34 0.03 0.11 1.02 -0.90 -5.05 119.74 114.65 1ssu s LYS 17 Ca 0.21 -1.75 0.23 0.00 0.02 0.00 0.00 55.97 54.68 1ssu s LYS 17 Cb 0.16 -2.14 0.98 0.00 -0.52 0.00 0.00 37.83 36.31 1ssu s LYS 17 CO 0.38 -0.21 1.74 1.63 -0.92 0.00 0.00 175.35 177.98 1ssu n LYS 18 N -1.42 0.03 -3.98 1.68 4.01 -1.26 -4.65 118.16 112.57 1ssu n LYS 18 Ca 0.00 0.13 -0.09 0.00 -0.51 0.00 0.00 58.31 57.84 1ssu n LYS 18 Cb 0.63 -1.54 -0.11 0.00 -0.51 0.00 0.00 35.03 33.50 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 1.65 4.43 -0.30 0.00 3.00 -1.26 -4.85 117.38 120.05 1ssu n GLN 20 Ca -0.24 -4.69 -0.02 0.00 -0.01 0.00 0.00 57.00 52.05 1ssu n GLN 20 Cb 0.55 -2.41 -0.03 0.00 0.00 0.00 0.00 30.24 28.36 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 2.22 1.07 0.54 0.00 1.47 -1.26 -0.44 116.67 120.27 1ssu s ASP 22 Ca 0.11 -1.55 0.36 0.00 1.18 0.00 0.00 52.55 52.65 1ssu s ASP 22 Cb 0.05 0.61 1.92 0.00 -0.34 0.00 0.00 42.92 45.16 1ssu s ASP 22 CO 0.00 -1.19 2.10 -0.33 0.68 0.00 0.00 175.17 176.43 1ssu h GLU 23 N 2.16 0.00 -0.00 2.11 5.08 -1.88 -3.20 114.58 118.84 1ssu h GLU 23 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ssu h GLU 23 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ssu h GLU 23 CO 0.39 0.00 -0.14 1.28 -1.00 0.00 0.00 179.01 179.54 1ssu n LEU 24 N -2.80 1.02 0.26 1.33 4.77 -1.26 -4.70 117.00 115.62 1ssu n LEU 24 Ca -0.02 -0.77 0.08 0.00 -0.03 0.00 0.00 56.01 55.27 1ssu n LEU 24 Cb 0.09 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.83 1ssu n LEU 24 CO 0.18 0.21 1.07 0.00 -1.33 0.00 0.00 177.39 177.52 1ssu n SER 26 N -4.49 0.00 -0.09 0.00 7.64 -1.26 -0.67 113.62 114.75 1ssu n SER 26 Ca -0.03 0.38 -0.21 0.00 1.01 0.00 0.00 58.87 60.02 1ssu n SER 26 Cb 0.09 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 1ssu n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssu n TYR 27 N -1.43 0.42 0.21 1.43 9.36 -0.94 -4.52 117.16 121.69 1ssu n TYR 27 Ca 0.03 0.10 0.09 0.00 3.32 0.00 0.00 57.90 61.44 1ssu n TYR 27 Cb 0.11 -1.05 0.34 0.00 -0.63 0.00 0.00 39.34 38.10 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 -0.15 0.00 0.00 2.98 0.05 -1.47 -3.47 116.97 114.91 1ssu h TYR 28 Ca -0.54 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.24 1ssu h TYR 28 Cb 1.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.62 1ssu h TYR 28 CO 0.03 0.26 0.00 1.04 -1.05 0.00 0.00 178.16 178.44 1ssu n GLN 29 N -3.31 -0.19 0.00 4.88 1.13 0.15 -4.89 117.38 115.15 1ssu n GLN 29 Ca 0.01 0.05 0.15 0.00 -1.94 0.00 0.00 57.00 55.27 1ssu n GLN 29 Cb 0.51 -4.00 0.90 0.00 0.11 0.00 0.00 30.24 27.76 1ssu n GLN 29 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ssu n SER 30 N -0.10 0.00 -4.34 1.08 7.64 -1.25 -4.99 113.62 111.66 1ssu n SER 30 Ca 0.00 -0.88 -0.33 0.00 1.01 0.00 0.00 58.87 58.67 1ssu n SER 30 Cb 0.05 -0.03 0.13 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.25 1.30 -2.27 0.00 -2.24 -1.26 -1.95 114.28 108.10 1ssu n THR 33 Ca 0.07 0.50 0.04 0.00 -2.27 0.00 0.00 64.05 62.40 1ssu n THR 33 Cb 0.34 -1.45 0.04 0.00 -2.10 0.00 0.00 70.33 67.16 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 -1.91 0.98 -0.31 3.42 2.03 -1.26 -5.00 116.55 114.50 1ssu n ASP 34 Ca 0.00 -2.28 0.05 0.00 0.52 0.00 0.00 54.79 53.09 1ssu n ASP 34 Cb 0.08 -0.32 0.12 0.00 -0.72 0.00 0.00 41.12 40.28 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 0.17 0.31 0.33 -0.67 9.36 -0.82 -0.83 117.16 125.00 1ssu n TYR 35 Ca 0.07 1.06 0.06 0.00 3.32 0.00 0.00 57.90 62.41 1ssu n TYR 35 Cb 1.01 -1.00 0.25 0.00 -0.63 0.00 0.00 39.34 38.96 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 -5.42 1.29 0.00 2.97 -1.04 -1.26 -0.60 114.28 110.22 1ssu n THR 36 Ca 0.14 0.35 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1ssu n THR 36 Cb 0.44 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 -1.54 2.00 0.09 2.41 0.00 -0.37 -4.65 120.51 118.46 1ssu n ALA 37 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 1ssu n ALA 37 Cb 0.12 0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1ssu n ALA 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ssu h GLU 38 N 0.00 0.26 0.00 0.00 4.39 -0.95 -3.41 114.58 114.86 1ssu h GLU 38 Ca 0.00 -0.44 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 1ssu h GLU 38 Cb 0.96 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1ssu h GLU 38 CO 0.00 1.19 -1.06 0.00 -1.16 0.00 0.00 179.01 177.98 1ssu n LYS 40 N -1.61 0.00 -0.08 0.00 4.81 0.23 -4.34 118.16 117.17 1ssu n LYS 40 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ssu n LYS 40 Cb 0.10 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ssu n LYS 40 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ssu n PRO 41 N 0.56 0.96 -1.67 1.64 -0.04 -1.26 -4.98 135.00 130.21 1ssu n PRO 41 Ca 0.07 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 63.06 1ssu n PRO 41 Cb 0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.43 1ssu n PRO 41 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ssu n GLN 42 N -0.38 2.17 -4.21 0.54 -0.06 -1.26 -4.97 117.38 109.20 1ssu n GLN 42 Ca 0.00 0.79 -0.14 0.00 -2.00 0.00 0.00 57.00 55.65 1ssu n GLN 42 Cb 0.00 -2.58 -0.09 0.00 -4.06 0.00 0.00 30.24 23.51 1ssu n GLN 42 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1ssu s VAL 43 N 1.84 0.00 0.30 1.69 0.11 -1.26 -4.61 120.40 118.47 1ssu s VAL 43 Ca 0.83 -1.98 -0.29 0.00 -2.93 0.00 0.00 61.98 57.61 1ssu s VAL 43 Cb -0.68 -2.49 -0.13 0.00 -1.53 0.00 0.00 36.38 31.55 1ssu s VAL 43 CO 0.42 0.00 1.31 0.35 -3.33 0.00 0.00 175.10 173.85 1ssu n THR 44 N -0.37 1.60 -0.03 5.04 -2.24 -1.26 -4.66 114.28 112.35 1ssu n THR 44 Ca 0.03 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1ssu n THR 44 Cb 0.65 -1.49 -0.14 0.00 -2.10 0.00 0.00 70.33 67.25 1ssu n THR 44 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ssu n ARG 45 N 1.14 0.64 0.00 -0.78 0.63 0.06 -4.97 116.66 113.38 1ssu n ARG 45 Ca 0.08 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1ssu n ARG 45 Cb 0.34 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.50 1ssu n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ssu n GLY 46 N 1.59 1.58 0.00 5.14 0.00 -1.26 -4.95 105.19 107.29 1ssu n GLY 46 Ca -0.20 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.00 -3.96 1.61 2.03 -1.26 -5.10 116.55 109.86 1ssu n ASP 47 Ca 0.00 -1.00 -0.09 0.00 0.52 0.00 0.00 54.79 54.22 1ssu n ASP 47 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.03 0.00 5.18 -7.23 -1.26 -5.10 120.40 112.01 1ssu s VAL 48 Ca 0.00 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1ssu s VAL 48 Cb 0.00 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1ssu s VAL 48 CO 0.00 -0.12 0.00 2.22 -0.31 0.00 0.00 175.10 176.89 1ssu n PHE 49 N -0.31 0.00 -1.55 2.82 -1.74 -1.26 -0.76 117.46 114.65 1ssu n PHE 49 Ca -0.05 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.52 1ssu n PHE 49 Cb 0.63 0.00 0.06 0.00 1.52 0.00 0.00 39.48 41.69 1ssu n PHE 49 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1ssu s THR 50 N -0.22 3.35 0.00 1.97 -4.23 -1.26 -4.39 115.64 110.86 1ssu s THR 50 Ca 0.00 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1ssu s THR 50 Cb 0.00 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1ssu s THR 50 CO 0.00 -0.48 0.00 0.80 -0.54 0.00 0.00 174.62 174.40