#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4g h GLN 2 N 0.00 1.04 -0.96 -0.67 7.50 -2.00 -2.18 115.11 117.84 1s4g h GLN 2 Ca 0.00 -0.10 -0.20 0.00 0.50 0.00 0.00 58.65 58.85 1s4g h GLN 2 Cb 0.00 -0.21 -0.12 0.00 0.05 0.00 0.00 27.48 27.20 1s4g h GLN 2 CO 0.00 0.75 0.25 0.39 -1.50 0.00 0.00 178.83 178.72 1s4g n GLU 3 N -4.48 1.82 -3.14 1.46 4.71 -1.26 -4.91 120.64 114.84 1s4g n GLU 3 Ca 0.07 -1.43 -0.09 0.00 -0.01 0.00 0.00 57.16 55.70 1s4g n GLU 3 Cb 0.07 -1.61 0.01 0.00 -1.01 0.00 0.00 31.44 28.89 1s4g n GLU 3 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1s4g n SER 4 N -0.17 -7.24 -2.62 1.62 7.64 -0.82 -4.49 113.62 107.53 1s4g n SER 4 Ca 0.25 -0.02 -0.01 0.00 1.01 0.00 0.00 58.87 60.11 1s4g n SER 4 Cb 0.99 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g n LYS 6 N 0.57 0.00 0.00 0.00 4.76 -1.26 -4.95 118.16 117.29 1s4g n LYS 6 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1s4g n LYS 6 Cb 0.03 -0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 1s4g n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s4g n GLY 7 N 2.32 0.80 3.48 0.72 0.00 -1.26 -4.77 105.19 106.48 1s4g n GLY 7 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.86 3.32 -1.58 1.61 1.74 -1.26 -2.62 116.66 117.02 1s4g n ARG 8 Ca 0.00 -3.68 -0.41 0.00 -0.77 0.00 0.00 57.85 53.00 1s4g n ARG 8 Cb 0.00 -3.16 -0.01 0.00 -1.02 0.00 0.00 32.46 28.26 1s4g n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4g n THR 10 N 4.24 0.62 -1.65 0.00 5.66 -1.26 -4.42 114.28 117.47 1s4g n THR 10 Ca 0.64 0.09 -0.31 0.00 -3.05 0.00 0.00 64.05 61.41 1s4g n THR 10 Cb 0.31 -0.83 0.04 0.00 -1.55 0.00 0.00 70.33 68.31 1s4g n THR 10 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1s4g s GLU 11 N -3.08 2.98 0.00 1.09 8.01 -1.26 -3.03 118.70 123.40 1s4g s GLU 11 Ca 0.09 1.02 0.00 0.00 0.01 0.00 0.00 54.97 56.09 1s4g s GLU 11 Cb 0.13 -1.99 0.00 0.00 -4.31 0.00 0.00 34.13 27.95 1s4g s GLU 11 CO 0.42 -1.07 0.00 0.41 0.01 0.00 0.00 175.26 175.03 1s4g n GLY 12 N -1.73 1.92 3.24 -1.39 0.00 -1.26 -4.71 105.19 101.26 1s4g n GLY 12 Ca 0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.19 -1.27 1.61 5.36 -1.25 -5.08 117.98 117.16 1s4g s PHE 13 Ca 0.00 0.29 -0.17 0.00 -0.96 0.00 0.00 56.93 56.08 1s4g s PHE 13 Cb 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 1s4g s PHE 13 CO 0.00 -0.39 2.00 -1.71 -1.46 0.00 0.00 175.22 173.66 1s4g n ASN 14 N 1.30 3.87 -0.05 6.13 5.15 -1.17 -4.52 115.26 125.96 1s4g n ASN 14 Ca -0.21 -2.82 -0.04 0.00 -0.60 0.00 0.00 54.58 50.90 1s4g n ASN 14 Cb 0.56 -1.60 -0.04 0.00 -0.53 0.00 0.00 39.78 38.17 1s4g n ASN 14 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1s4g h VAL 15 N 4.77 0.49 -4.02 3.44 2.07 -1.81 -3.46 116.25 117.72 1s4g h VAL 15 Ca 0.47 -1.35 -0.49 0.00 0.82 0.00 0.00 66.70 66.15 1s4g h VAL 15 Cb 0.74 0.92 0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1s4g h VAL 15 CO 1.71 0.16 0.43 -1.81 0.02 0.00 0.00 177.57 178.08 1s4g s ASP 16 N -5.72 6.38 0.24 0.57 1.11 -1.26 -4.76 116.67 113.23 1s4g s ASP 16 Ca -0.05 2.09 0.00 0.00 0.18 0.00 0.00 52.55 54.77 1s4g s ASP 16 Cb -0.01 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1s4g s ASP 16 CO 0.19 -0.76 0.00 0.29 1.18 0.00 0.00 175.17 176.07 1s4g n LYS 17 N -0.56 0.00 0.00 8.23 5.02 -1.26 -4.59 118.16 125.00 1s4g n LYS 17 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1s4g n LYS 17 Cb 0.50 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1s4g n LYS 17 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1s4g n LYS 18 N -3.40 0.00 0.00 1.97 2.85 -1.26 -4.90 118.16 113.41 1s4g n LYS 18 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1s4g n LYS 18 Cb 0.01 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s4g s GLN 20 N 0.00 0.89 0.37 0.00 -0.21 -1.25 -1.02 119.66 118.44 1s4g s GLN 20 Ca 0.00 -1.07 0.05 0.00 0.02 0.00 0.00 55.36 54.36 1s4g s GLN 20 Cb 0.00 0.33 0.72 0.00 1.00 0.00 0.00 33.01 35.06 1s4g s GLN 20 CO 0.00 -0.28 2.00 0.00 -2.12 0.00 0.00 175.29 174.89 1s4g h ASP 22 N 0.65 0.00 -4.12 0.00 2.03 -1.97 -3.43 116.42 109.58 1s4g h ASP 22 Ca 0.17 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.98 1s4g h ASP 22 Cb 0.01 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 38.57 1s4g h ASP 22 CO -0.03 0.24 0.40 -1.61 -1.03 0.00 0.00 179.24 177.22 1s4g s GLU 23 N -3.69 3.41 0.34 4.15 2.02 -0.85 -4.93 118.70 119.14 1s4g s GLU 23 Ca 0.00 1.44 0.04 0.00 0.02 0.00 0.00 54.97 56.47 1s4g s GLU 23 Cb 0.11 -2.03 0.68 0.00 0.10 0.00 0.00 34.13 32.99 1s4g s GLU 23 CO 0.64 -0.77 1.95 -0.07 0.02 0.00 0.00 175.26 177.03 1s4g h LEU 24 N 1.02 0.73 -0.52 1.80 3.38 -1.87 -1.44 115.31 118.40 1s4g h LEU 24 Ca -0.49 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.55 1s4g h LEU 24 Cb 1.24 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1s4g h LEU 24 CO 0.57 0.47 -0.25 0.00 0.09 0.00 0.00 178.44 179.32 1s4g h SER 26 N 0.00 0.00 0.49 0.00 0.87 -1.35 0.61 113.55 114.17 1s4g h SER 26 Ca 0.13 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.40 1s4g h SER 26 Cb 0.26 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 1s4g h SER 26 CO -0.50 0.00 -1.70 1.88 -0.53 0.00 0.00 176.83 175.97 1s4g h TYR 27 N 0.00 0.01 0.37 2.24 0.05 -1.34 -3.15 116.97 115.16 1s4g h TYR 27 Ca 0.06 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1s4g h TYR 27 Cb 0.33 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1s4g h TYR 27 CO 0.00 1.02 -0.18 -0.92 -1.05 0.00 0.00 178.16 177.03 1s4g h TYR 28 N 0.00 -0.46 -3.39 4.88 3.20 -0.96 -3.45 116.97 116.78 1s4g h TYR 28 Ca -0.28 -0.01 -0.36 0.00 3.14 0.00 0.00 58.73 61.21 1s4g h TYR 28 Cb 2.01 0.15 -0.36 0.00 1.54 0.00 0.00 36.73 40.07 1s4g h TYR 28 CO 0.00 -0.29 -0.75 -0.65 -1.64 0.00 0.00 178.16 174.84 1s4g s GLN 29 N -3.41 0.17 -1.11 1.82 -1.52 0.07 -5.08 119.66 110.60 1s4g s GLN 29 Ca -0.07 0.20 -0.20 0.00 -1.95 0.00 0.00 55.36 53.35 1s4g s GLN 29 Cb 0.01 -0.54 -0.06 0.00 -0.22 0.00 0.00 33.01 32.20 1s4g s GLN 29 CO 0.22 -0.24 1.98 0.43 -0.25 0.00 0.00 175.29 177.43 1s4g n SER 30 N 4.72 3.33 -4.73 5.90 7.64 -1.19 -3.78 113.62 125.51 1s4g n SER 30 Ca -0.15 -2.76 -0.37 0.00 1.01 0.00 0.00 58.87 56.60 1s4g n SER 30 Cb 0.50 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.16 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g n THR 33 N 4.77 -6.31 0.08 0.00 -1.04 -0.19 -4.81 114.28 106.77 1s4g n THR 33 Ca 0.05 -0.92 0.00 0.00 -2.04 0.00 0.00 64.05 61.14 1s4g n THR 33 Cb 0.47 -4.75 0.00 0.00 -1.82 0.00 0.00 70.33 64.23 1s4g n THR 33 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1s4g n ASP 34 N -2.94 0.24 -4.79 8.00 5.75 -1.26 -5.08 116.55 116.46 1s4g n ASP 34 Ca -0.15 0.25 -0.33 0.00 -0.01 0.00 0.00 54.79 54.55 1s4g n ASP 34 Cb 0.63 0.08 0.01 0.00 -1.03 0.00 0.00 41.12 40.81 1s4g n ASP 34 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1s4g s TYR 35 N -1.70 2.85 -0.02 2.11 2.02 -1.26 -5.01 117.35 116.34 1s4g s TYR 35 Ca 0.00 1.54 -0.09 0.00 -0.37 0.00 0.00 57.07 58.14 1s4g s TYR 35 Cb 0.00 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1s4g s TYR 35 CO 0.00 -1.28 0.54 1.79 -1.57 0.00 0.00 175.55 175.02 1s4g h THR 36 N 0.62 0.00 -0.14 -0.71 1.35 -1.89 -3.43 112.91 108.72 1s4g h THR 36 Ca -0.48 -0.37 -0.20 0.00 -0.55 0.00 0.00 66.41 64.82 1s4g h THR 36 Cb 1.23 0.00 -0.38 0.00 -1.73 0.00 0.00 68.15 67.27 1s4g h THR 36 CO 0.57 0.00 -1.04 0.00 -0.25 0.00 0.00 175.52 174.80 1s4g n ALA 37 N -2.45 2.51 -3.51 6.62 0.00 -1.26 -4.77 120.51 117.65 1s4g n ALA 37 Ca -0.04 -2.52 -0.17 0.00 0.00 0.00 0.00 53.44 50.71 1s4g n ALA 37 Cb 0.13 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 1s4g n ALA 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s4g s GLU 38 N -1.28 0.97 -0.06 0.00 2.56 -0.72 -4.11 118.70 116.06 1s4g s GLU 38 Ca 0.32 0.36 -0.26 0.00 0.00 0.00 0.00 54.97 55.39 1s4g s GLU 38 Cb 0.37 0.46 -0.22 0.00 2.00 0.00 0.00 34.13 36.74 1s4g s GLU 38 CO -0.13 -0.27 1.09 0.00 -0.56 0.00 0.00 175.26 175.39 1s4g s LYS 40 N -3.48 1.22 0.13 0.00 1.02 -1.26 -4.64 119.74 112.73 1s4g s LYS 40 Ca -0.17 1.35 -0.32 0.00 0.02 0.00 0.00 55.97 56.85 1s4g s LYS 40 Cb 0.00 -1.77 -0.18 0.00 -0.52 0.00 0.00 37.83 35.37 1s4g s LYS 40 CO 0.69 -2.43 0.72 -2.30 -0.92 0.00 0.00 175.35 171.12 1s4g n PRO 41 N -4.07 0.02 -0.23 -1.68 -0.02 -1.26 -4.83 135.00 122.92 1s4g n PRO 41 Ca 0.10 0.01 -0.01 0.00 -2.02 0.00 0.00 63.50 61.57 1s4g n PRO 41 Cb 0.53 -1.19 0.05 0.00 -0.02 0.00 0.00 33.50 32.87 1s4g n PRO 41 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1s4g h GLN 42 N 1.72 -0.06 -4.11 -0.52 4.15 -1.92 -1.24 115.11 113.14 1s4g h GLN 42 Ca -0.36 0.00 -0.72 0.00 0.77 0.00 0.00 58.65 58.34 1s4g h GLN 42 Cb 1.44 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 29.05 1s4g h GLN 42 CO 0.60 -0.04 2.54 0.28 -1.93 0.00 0.00 178.83 180.28 1s4g n VAL 43 N -5.46 3.86 0.23 2.39 0.31 -1.26 -3.44 118.33 114.96 1s4g n VAL 43 Ca 0.07 -3.72 0.11 0.00 -0.01 0.00 0.00 64.34 60.79 1s4g n VAL 43 Cb 0.36 -2.49 0.49 0.00 -0.91 0.00 0.00 33.84 31.29 1s4g n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s4g h THR 44 N 4.14 0.50 0.00 2.52 1.03 -1.54 -3.42 112.91 116.14 1s4g h THR 44 Ca 0.48 -1.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1s4g h THR 44 Cb 0.68 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 1s4g h THR 44 CO 1.71 0.19 0.00 -2.11 -0.01 0.00 0.00 175.52 175.30 1s4g n ARG 45 N -3.37 0.00 0.00 0.00 1.85 -1.26 -5.00 116.66 108.87 1s4g n ARG 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1s4g n ARG 45 Cb 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.82 1s4g n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s4g n GLY 46 N -0.53 0.00 0.11 2.89 0.00 -1.26 -5.06 105.19 101.34 1s4g n GLY 46 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1s4g n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s4g n ASP 47 N 0.00 1.89 0.00 1.61 8.00 -1.26 -4.98 116.55 121.81 1s4g n ASP 47 Ca 0.00 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1s4g n ASP 47 Cb 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1s4g n ASP 47 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1s4g n VAL 48 N -4.42 0.00 -4.15 2.53 0.31 -1.22 -4.79 118.33 106.59 1s4g n VAL 48 Ca -0.30 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 63.93 1s4g n VAL 48 Cb 0.63 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.46 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 0.82 0.00 3.52 0.08 -1.26 -4.68 117.98 116.45 1s4g s PHE 49 Ca 0.00 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.07 1s4g s PHE 49 Cb 0.00 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1s4g s PHE 49 CO 0.00 -0.23 0.00 2.41 -0.10 0.00 0.00 175.22 177.30 1s4g n THR 50 N -0.02 0.00 0.31 0.64 -1.04 -1.26 -5.05 114.28 107.86 1s4g n THR 50 Ca -0.12 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.93 1s4g n THR 50 Cb 0.61 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.15 1s4g n THR 50 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66