#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4g n GLN 2 N 0.00 0.63 0.14 -1.24 3.00 -1.26 -4.52 117.38 114.13 1s4g n GLN 2 Ca 0.00 0.34 -0.01 0.00 -0.01 0.00 0.00 57.00 57.32 1s4g n GLN 2 Cb 0.00 -1.62 0.21 0.00 0.00 0.00 0.00 30.24 28.83 1s4g n GLN 2 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1s4g h GLU 3 N -0.59 0.05 0.00 -1.09 4.11 -2.02 -3.47 114.58 111.58 1s4g h GLU 3 Ca -0.52 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 58.87 1s4g h GLU 3 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1s4g h GLU 3 CO -0.19 0.58 0.07 -1.13 0.07 0.00 0.00 179.01 178.41 1s4g n SER 4 N -3.90 -0.55 -4.65 3.06 3.41 -1.26 -5.13 113.62 104.60 1s4g n SER 4 Ca -0.02 -1.38 -0.42 0.00 -0.26 0.00 0.00 58.87 56.79 1s4g n SER 4 Cb 0.56 0.92 -0.04 0.00 -0.26 0.00 0.00 64.21 65.39 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4g n LYS 6 N 6.04 0.00 0.00 0.00 5.02 -1.26 -4.72 118.16 123.23 1s4g n LYS 6 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1s4g n LYS 6 Cb 0.47 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1s4g n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s4g n GLY 7 N 1.70 0.00 2.49 0.72 0.00 -1.26 -4.04 105.19 104.80 1s4g n GLY 7 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1s4g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4g n ARG 8 N -2.92 3.26 -3.78 1.61 1.74 -1.21 -1.46 116.66 113.89 1s4g n ARG 8 Ca 0.00 -2.26 -0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1s4g n ARG 8 Cb 0.50 -2.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 1s4g n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4g h THR 10 N 2.00 0.93 -0.39 0.00 1.35 -1.97 -2.92 112.91 111.90 1s4g h THR 10 Ca -0.27 -0.02 -0.70 0.00 -0.55 0.00 0.00 66.41 64.87 1s4g h THR 10 Cb 1.21 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 1s4g h THR 10 CO 0.30 0.01 3.24 -0.62 -0.25 0.00 0.00 175.52 178.21 1s4g n GLU 11 N -5.10 3.76 -3.10 4.72 4.71 -1.26 -4.77 120.64 119.61 1s4g n GLU 11 Ca -0.04 -2.68 0.00 0.00 -0.01 0.00 0.00 57.16 54.43 1s4g n GLU 11 Cb 0.07 -2.86 0.00 0.00 -1.01 0.00 0.00 31.44 27.65 1s4g n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s4g n GLY 12 N 3.17 -1.26 2.64 0.62 0.00 -1.10 -4.52 105.19 104.73 1s4g n GLY 12 Ca 0.67 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1s4g n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s4g s PHE 13 N -2.48 0.35 0.16 1.61 5.36 -0.54 -4.79 117.98 117.64 1s4g s PHE 13 Ca 0.00 -0.40 -0.16 0.00 -0.96 0.00 0.00 56.93 55.42 1s4g s PHE 13 Cb 0.00 -0.75 0.04 0.00 -0.34 0.00 0.00 43.02 41.97 1s4g s PHE 13 CO 0.00 -0.52 1.80 -0.97 -1.46 0.00 0.00 175.22 174.07 1s4g h ASN 14 N 8.39 0.39 -0.26 6.13 -0.73 -1.62 -0.65 115.58 127.23 1s4g h ASN 14 Ca -0.15 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 57.91 1s4g h ASN 14 Cb 1.14 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.65 1s4g h ASN 14 CO 0.29 0.28 -0.28 0.58 -0.37 0.00 0.00 177.43 177.94 1s4g h VAL 15 N 0.49 1.31 0.60 2.57 2.07 -1.96 -2.78 116.25 118.56 1s4g h VAL 15 Ca 0.16 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1s4g h VAL 15 Cb 0.00 1.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1s4g h VAL 15 CO -0.07 0.46 -0.29 -0.78 0.02 0.00 0.00 177.57 176.91 1s4g h ASP 16 N 0.37 -0.69 -3.80 0.57 3.58 -1.96 -3.41 116.42 111.08 1s4g h ASP 16 Ca 0.04 0.02 -0.71 0.00 0.42 0.00 0.00 57.03 56.80 1s4g h ASP 16 Cb 0.85 0.18 -0.33 0.00 1.72 0.00 0.00 39.33 41.74 1s4g h ASP 16 CO 0.07 -0.40 -0.35 -0.75 -2.88 0.00 0.00 179.24 174.93 1s4g s LYS 17 N -4.39 2.56 -0.83 0.28 2.20 -0.25 -4.75 119.74 114.56 1s4g s LYS 17 Ca -0.12 -2.23 0.02 0.00 -0.36 0.00 0.00 55.97 53.28 1s4g s LYS 17 Cb 0.01 -3.83 0.33 0.00 -1.51 0.00 0.00 37.83 32.83 1s4g s LYS 17 CO 0.35 -1.17 1.42 0.36 -0.36 0.00 0.00 175.35 175.95 1s4g n LYS 18 N 4.05 4.41 -2.71 4.03 0.00 -1.05 -3.30 118.16 123.59 1s4g n LYS 18 Ca 0.03 -4.76 -0.02 0.00 -0.00 0.00 0.00 58.31 53.57 1s4g n LYS 18 Cb 0.40 -2.37 -0.02 0.00 -0.00 0.00 0.00 35.03 33.05 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s4g h GLN 20 N 3.53 0.00 0.00 0.00 4.15 -1.85 -3.25 115.11 117.69 1s4g h GLN 20 Ca -0.21 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.04 1s4g h GLN 20 Cb 0.52 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.08 1s4g h GLN 20 CO 0.06 0.28 -0.29 0.00 -1.93 0.00 0.00 178.83 176.95 1s4g n ASP 22 N 1.10 2.63 -4.73 0.00 8.00 -1.26 -5.00 116.55 117.30 1s4g n ASP 22 Ca 0.04 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.28 1s4g n ASP 22 Cb 0.69 0.07 0.10 0.00 -0.02 0.00 0.00 41.12 41.96 1s4g n ASP 22 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1s4g s GLU 23 N -1.62 1.81 0.19 -1.24 0.41 -1.26 -4.90 118.70 112.10 1s4g s GLU 23 Ca 0.00 -0.51 -0.16 0.00 -0.41 0.00 0.00 54.97 53.89 1s4g s GLU 23 Cb 0.00 -2.17 0.18 0.00 -1.78 0.00 0.00 34.13 30.36 1s4g s GLU 23 CO 0.00 -1.47 1.63 -0.07 -0.49 0.00 0.00 175.26 174.86 1s4g h LEU 24 N -0.73 -0.66 -0.70 1.80 3.38 -2.00 -1.85 115.31 114.55 1s4g h LEU 24 Ca -0.42 0.18 0.15 0.00 0.09 0.00 0.00 57.88 57.88 1s4g h LEU 24 Cb 1.29 0.39 -0.12 0.00 0.09 0.00 0.00 40.66 42.32 1s4g h LEU 24 CO 0.51 -0.22 0.05 0.00 0.09 0.00 0.00 178.44 178.87 1s4g h SER 26 N 0.15 0.80 0.23 0.00 0.02 -1.52 0.14 113.55 113.37 1s4g h SER 26 Ca 0.38 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.28 1s4g h SER 26 Cb 0.66 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1s4g h SER 26 CO -0.58 0.49 -0.28 1.88 -1.14 0.00 0.00 176.83 177.19 1s4g h TYR 27 N 0.89 0.09 -0.84 3.45 0.05 -1.08 -0.43 116.97 119.10 1s4g h TYR 27 Ca 0.39 -0.02 -0.57 0.00 0.05 0.00 0.00 58.73 58.58 1s4g h TYR 27 Cb 0.34 -0.02 -0.32 0.00 1.01 0.00 0.00 36.73 37.73 1s4g h TYR 27 CO -0.00 0.37 0.15 2.48 -1.05 0.00 0.00 178.16 180.11 1s4g n TYR 28 N -4.17 2.84 -3.73 4.88 4.11 -0.93 -4.98 117.16 115.17 1s4g n TYR 28 Ca -0.02 -2.54 -0.22 0.00 -0.00 0.00 0.00 57.90 55.12 1s4g n TYR 28 Cb 0.35 -0.93 -0.03 0.00 -0.00 0.00 0.00 39.34 38.73 1s4g n TYR 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1s4g n GLN 29 N -0.88 -0.78 0.02 -3.48 10.64 -0.17 -4.83 117.38 117.91 1s4g n GLN 29 Ca 0.53 -0.06 0.11 0.00 -1.83 0.00 0.00 57.00 55.75 1s4g n GLN 29 Cb 0.86 -1.59 -0.10 0.00 -0.86 0.00 0.00 30.24 28.56 1s4g n GLN 29 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1s4g n SER 30 N -1.23 0.40 -2.99 2.61 7.64 -0.03 -4.30 113.62 115.73 1s4g n SER 30 Ca -0.13 -0.14 -0.16 0.00 1.01 0.00 0.00 58.87 59.45 1s4g n SER 30 Cb 0.37 1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 64.92 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g h THR 33 N 0.00 1.24 0.62 0.00 2.02 -1.86 -3.04 112.91 111.89 1s4g h THR 33 Ca 0.00 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1s4g h THR 33 Cb 0.00 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1s4g h THR 33 CO 0.00 0.32 -0.30 -2.24 0.37 0.00 0.00 175.52 173.67 1s4g h ASP 34 N 1.02 -0.70 -1.45 4.18 2.03 -1.94 -3.50 116.42 116.07 1s4g h ASP 34 Ca 0.23 -0.02 0.21 0.00 -0.73 0.00 0.00 57.03 56.71 1s4g h ASP 34 Cb 0.23 0.18 -0.04 0.00 -0.83 0.00 0.00 39.33 38.87 1s4g h ASP 34 CO -0.02 -0.36 0.55 0.00 -1.03 0.00 0.00 179.24 178.38 1s4g n TYR 35 N -5.37 -0.38 -3.98 4.15 0.18 -1.15 -5.11 117.16 105.50 1s4g n TYR 35 Ca -0.12 -0.49 -0.32 0.00 1.88 0.00 0.00 57.90 58.86 1s4g n TYR 35 Cb 0.36 0.22 -0.14 0.00 -0.38 0.00 0.00 39.34 39.39 1s4g n TYR 35 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1s4g s THR 36 N -2.09 2.43 0.38 -3.48 -1.32 -1.26 -1.36 115.64 108.95 1s4g s THR 36 Ca 0.18 -2.32 -0.11 0.00 -1.21 0.00 0.00 61.69 58.23 1s4g s THR 36 Cb -0.01 -2.77 0.04 0.00 -1.51 0.00 0.00 72.50 68.25 1s4g s THR 36 CO 0.00 -0.62 0.71 0.00 -2.21 0.00 0.00 174.62 172.51 1s4g s ALA 37 N 0.92 -0.28 -1.09 11.08 0.00 -1.10 -4.85 121.76 126.45 1s4g s ALA 37 Ca 0.11 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 1s4g s ALA 37 Cb -0.20 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 1s4g s ALA 37 CO -0.07 -0.93 1.91 -1.21 0.00 0.00 0.00 175.76 175.46 1s4g s GLU 38 N -2.38 2.62 2.97 0.00 2.02 -0.71 -4.48 118.70 118.74 1s4g s GLU 38 Ca 0.20 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1s4g s GLU 38 Cb -0.04 -5.20 0.00 0.00 0.10 0.00 0.00 34.13 28.99 1s4g s GLU 38 CO 0.15 -3.65 0.00 0.00 0.02 0.00 0.00 175.26 171.77 1s4g s LYS 40 N 0.00 4.27 0.24 0.00 -0.14 -1.14 -4.56 119.74 118.42 1s4g s LYS 40 Ca 0.00 2.11 -0.30 0.00 -1.36 0.00 0.00 55.97 56.41 1s4g s LYS 40 Cb 0.00 -3.47 -0.10 0.00 -1.68 0.00 0.00 37.83 32.58 1s4g s LYS 40 CO 0.00 -0.58 1.49 -1.25 -0.76 0.00 0.00 175.35 174.25 1s4g s PRO 41 N 2.05 4.23 -0.01 -1.68 0.04 -1.24 -4.92 135.00 133.48 1s4g s PRO 41 Ca 0.67 2.36 -0.25 0.00 0.04 0.00 0.00 61.00 63.82 1s4g s PRO 41 Cb -0.36 -3.10 -0.18 0.00 0.04 0.00 0.00 34.50 30.90 1s4g s PRO 41 CO 0.29 -0.49 1.26 1.96 0.04 0.00 0.00 177.00 180.06 1s4g h GLN 42 N 5.31 -0.15 -4.12 4.56 7.50 -1.92 -3.43 115.11 122.86 1s4g h GLN 42 Ca -0.46 0.01 -0.38 0.00 0.50 0.00 0.00 58.65 58.32 1s4g h GLN 42 Cb 1.22 0.03 -0.32 0.00 0.05 0.00 0.00 27.48 28.46 1s4g h GLN 42 CO 0.80 0.24 -0.77 0.08 -1.50 0.00 0.00 178.83 177.69 1s4g s VAL 43 N -4.47 0.49 -1.39 -0.54 1.01 -1.26 -5.07 120.40 109.17 1s4g s VAL 43 Ca -0.15 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1s4g s VAL 43 Cb 0.02 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.96 1s4g s VAL 43 CO 0.61 0.19 2.01 0.35 0.00 0.00 0.00 175.10 178.26 1s4g n THR 44 N 3.70 3.68 -0.05 3.92 -2.24 -1.26 -3.74 114.28 118.29 1s4g n THR 44 Ca -0.22 -3.51 -0.05 0.00 -2.27 0.00 0.00 64.05 58.00 1s4g n THR 44 Cb 0.53 -2.49 -0.02 0.00 -2.10 0.00 0.00 70.33 66.25 1s4g n THR 44 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s4g n ARG 45 N 7.07 0.33 0.00 -0.78 1.74 -1.26 -5.04 116.66 118.71 1s4g n ARG 45 Ca 0.50 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1s4g n ARG 45 Cb 0.42 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 1s4g n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4g n GLY 46 N 1.54 2.52 3.82 -0.13 0.00 -1.17 -5.05 105.19 106.72 1s4g n GLY 46 Ca -0.08 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1s4g n GLY 46 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s4g s ASP 47 N 0.00 7.00 0.00 1.61 -4.77 -1.26 -2.95 116.67 116.30 1s4g s ASP 47 Ca 0.00 1.51 0.00 0.00 -3.30 0.00 0.00 52.55 50.76 1s4g s ASP 47 Cb 0.00 -2.46 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 1s4g s ASP 47 CO 0.00 -0.13 0.00 0.52 0.70 0.00 0.00 175.17 176.26 1s4g n VAL 48 N 0.10 0.00 -2.47 2.11 0.31 -1.26 -4.69 118.33 112.43 1s4g n VAL 48 Ca 0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.12 1s4g n VAL 48 Cb 0.52 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.50 1s4g n VAL 48 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1s4g s PHE 49 N 0.00 2.88 0.00 3.52 0.08 -1.26 -4.47 117.98 118.73 1s4g s PHE 49 Ca 0.00 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.21 1s4g s PHE 49 Cb 0.00 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 1s4g s PHE 49 CO 0.00 -1.08 0.00 2.41 -0.10 0.00 0.00 175.22 176.45 1s4g n THR 50 N -2.57 0.00 -1.26 0.64 -1.04 -1.25 -3.06 114.28 105.75 1s4g n THR 50 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1s4g n THR 50 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1s4g n THR 50 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58