#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 0.40 -4.96 -1.24 7.50 -1.99 -2.98 115.11 111.85 1s4g h GLN 2 Ca 0.00 -0.29 -0.64 0.00 0.50 0.00 0.00 58.65 58.22 1s4g h GLN 2 Cb 0.00 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.53 1s4g h GLN 2 CO 0.00 0.91 2.39 -0.85 -1.50 0.00 0.00 178.83 179.78 1s4g n GLU 3 N -4.41 2.62 -0.56 1.46 -0.00 -1.26 -4.70 120.64 113.80 1s4g n GLU 3 Ca -0.07 -2.73 0.00 0.00 -0.00 0.00 0.00 57.16 54.36 1s4g n GLU 3 Cb 0.49 -3.38 0.00 0.00 -0.00 0.00 0.00 31.44 28.55 1s4g n GLU 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1s4g n SER 4 N 8.28 -4.02 -3.66 -1.84 2.88 -1.24 -4.77 113.62 109.27 1s4g n SER 4 Ca 0.50 0.42 -0.42 0.00 -1.33 0.00 0.00 58.87 58.03 1s4g n SER 4 Cb 0.43 -0.89 -0.03 0.00 -0.75 0.00 0.00 64.21 62.97 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s4g h LYS 6 N 6.80 -0.24 0.00 0.00 1.57 -1.86 -3.43 116.57 119.41 1s4g h LYS 6 Ca 0.51 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1s4g h LYS 6 Cb 0.63 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1s4g h LYS 6 CO 1.91 -0.16 -0.02 0.78 -0.57 0.00 0.00 179.45 181.39 1s4g h GLY 7 N -0.69 0.00 -1.87 3.86 0.00 -1.83 -3.49 103.07 99.05 1s4g h GLY 7 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 1s4g h GLY 7 CO 0.04 0.00 -0.27 1.09 0.00 0.00 0.00 176.54 177.41 1s4g s ARG 8 N -1.05 1.79 -0.09 4.80 1.04 -1.26 -4.85 118.95 119.32 1s4g s ARG 8 Ca -0.01 -1.73 -0.30 0.00 -1.04 0.00 0.00 55.73 52.66 1s4g s ARG 8 Cb 0.00 0.41 0.11 0.00 -2.04 0.00 0.00 34.95 33.44 1s4g s ARG 8 CO 0.01 -0.72 0.94 0.00 -0.04 0.00 0.00 175.30 175.49 1s4g h THR 10 N 2.33 0.00 0.00 0.00 1.35 -1.85 0.17 112.91 114.91 1s4g h THR 10 Ca -0.20 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1s4g h THR 10 Cb 1.19 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1s4g h THR 10 CO 0.31 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.96 1s4g n GLU 11 N -2.47 0.00 -0.05 4.72 4.71 -1.26 -4.28 120.64 122.01 1s4g n GLU 11 Ca 0.04 0.36 -0.04 0.00 -0.01 0.00 0.00 57.16 57.51 1s4g n GLU 11 Cb 0.39 -0.86 -0.01 0.00 -1.01 0.00 0.00 31.44 29.94 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 2.10 -0.70 0.17 0.62 0.00 -1.26 -4.60 105.19 101.52 1s4g n GLY 12 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 1s4g n GLY 12 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1s4g h PHE 13 N -0.61 0.17 0.00 1.61 3.57 -1.88 -3.46 116.94 116.34 1s4g h PHE 13 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1s4g h PHE 13 Cb 0.42 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1s4g h PHE 13 CO -0.18 0.04 0.00 0.09 -2.23 0.00 0.00 178.31 176.03 1s4g n ASN 14 N -5.07 0.00 -2.33 0.41 3.02 0.59 -4.95 115.26 106.92 1s4g n ASN 14 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1s4g n ASN 14 Cb 0.17 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1s4g n ASN 14 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s4g n VAL 15 N 0.00 0.00 -3.26 2.41 0.31 -1.25 -4.48 118.33 112.05 1s4g n VAL 15 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1s4g n VAL 15 Cb 0.00 -1.42 -0.04 0.00 -0.91 0.00 0.00 33.84 31.47 1s4g n VAL 15 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1s4g s ASP 16 N -1.29 -0.28 0.29 4.52 2.15 -1.26 -4.20 116.67 116.61 1s4g s ASP 16 Ca 0.00 -0.08 -0.29 0.00 0.43 0.00 0.00 52.55 52.61 1s4g s ASP 16 Cb 0.00 1.42 -0.10 0.00 -0.30 0.00 0.00 42.92 43.95 1s4g s ASP 16 CO 0.00 -0.33 1.11 -0.54 -0.17 0.00 0.00 175.17 175.24 1s4g s LYS 17 N 2.64 4.58 -1.37 4.34 1.02 -1.26 -4.92 119.74 124.77 1s4g s LYS 17 Ca 0.11 1.82 -0.10 0.00 0.02 0.00 0.00 55.97 57.81 1s4g s LYS 17 Cb -0.12 -3.13 0.10 0.00 -0.52 0.00 0.00 37.83 34.16 1s4g s LYS 17 CO -0.27 0.15 2.16 1.63 -0.92 0.00 0.00 175.35 178.10 1s4g n LYS 18 N 1.06 3.59 -3.16 1.68 4.76 -1.26 -4.47 118.16 120.37 1s4g n LYS 18 Ca -0.01 -3.15 -0.15 0.00 -2.87 0.00 0.00 58.31 52.14 1s4g n LYS 18 Cb 0.45 -2.96 0.01 0.00 -1.84 0.00 0.00 35.03 30.69 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s4g n GLN 20 N -0.90 0.51 -3.25 0.00 3.00 -1.26 -3.59 117.38 111.89 1s4g n GLN 20 Ca -0.01 0.20 -0.05 0.00 -0.01 0.00 0.00 57.00 57.14 1s4g n GLN 20 Cb 0.55 -1.39 -0.04 0.00 0.00 0.00 0.00 30.24 29.36 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s4g s ASP 22 N 2.26 2.54 0.30 0.00 1.11 -1.26 -4.52 116.67 117.09 1s4g s ASP 22 Ca 0.12 -0.61 0.03 0.00 0.18 0.00 0.00 52.55 52.27 1s4g s ASP 22 Cb -0.10 -0.58 0.46 0.00 1.07 0.00 0.00 42.92 43.78 1s4g s ASP 22 CO -0.19 -0.27 1.77 -0.08 1.18 0.00 0.00 175.17 177.58 1s4g h GLU 23 N 8.26 0.52 -0.01 8.23 4.81 -1.90 -0.15 114.58 134.33 1s4g h GLU 23 Ca -0.18 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1s4g h GLU 23 Cb 1.12 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 1s4g h GLU 23 CO 0.32 0.66 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.82 1s4g h LEU 24 N 0.47 -1.12 -1.30 1.64 3.38 -1.91 -2.03 115.31 114.44 1s4g h LEU 24 Ca 0.08 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1s4g h LEU 24 Cb 0.55 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1s4g h LEU 24 CO 0.04 -0.42 0.23 0.00 0.09 0.00 0.00 178.44 178.38 1s4g n SER 26 N -4.37 0.00 0.10 0.00 7.64 -0.18 -1.30 113.62 115.51 1s4g n SER 26 Ca 0.04 0.48 -0.24 0.00 1.01 0.00 0.00 58.87 60.17 1s4g n SER 26 Cb 0.13 -0.49 -0.15 0.00 -1.01 0.00 0.00 64.21 62.69 1s4g n SER 26 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1s4g h TYR 27 N 0.00 0.80 0.01 1.43 0.05 -0.60 -3.40 116.97 115.26 1s4g h TYR 27 Ca 0.00 -0.59 -0.02 0.00 0.05 0.00 0.00 58.73 58.17 1s4g h TYR 27 Cb 0.15 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1s4g h TYR 27 CO 0.00 1.60 -0.10 1.88 -1.05 0.00 0.00 178.16 180.49 1s4g h TYR 28 N 0.06 0.08 -3.62 4.88 0.05 -1.38 -3.48 116.97 113.56 1s4g h TYR 28 Ca -0.29 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.41 1s4g h TYR 28 Cb 2.07 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.80 1s4g h TYR 28 CO 0.12 0.94 -0.02 0.00 -1.05 0.00 0.00 178.16 178.16 1s4g n GLN 29 N -4.59 1.53 0.13 4.88 10.64 -0.42 -5.09 117.38 124.47 1s4g n GLN 29 Ca -0.10 -0.14 -0.10 0.00 -1.83 0.00 0.00 57.00 54.82 1s4g n GLN 29 Cb 0.48 0.05 -0.06 0.00 -0.86 0.00 0.00 30.24 29.85 1s4g n GLN 29 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1s4g h SER 30 N 0.06 -0.35 0.00 2.61 0.02 -1.81 -3.35 113.55 110.74 1s4g h SER 30 Ca -0.02 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1s4g h SER 30 Cb 0.05 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1s4g h SER 30 CO 0.02 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 1s4g n THR 33 N 6.64 0.14 -3.47 0.00 -2.24 -1.17 -4.98 114.28 109.21 1s4g n THR 33 Ca 0.48 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.91 1s4g n THR 33 Cb 0.44 0.83 0.03 0.00 -2.10 0.00 0.00 70.33 69.53 1s4g n THR 33 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s4g n ASP 34 N -0.08 -6.12 0.00 3.42 8.00 -0.18 -5.03 116.55 116.55 1s4g n ASP 34 Ca 0.00 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1s4g n ASP 34 Cb 0.52 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1s4g n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s4g n TYR 35 N -3.16 0.00 -3.81 1.24 4.11 -1.26 -5.02 117.16 109.26 1s4g n TYR 35 Ca -0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.68 1s4g n TYR 35 Cb 0.59 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.81 1s4g n TYR 35 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1s4g s THR 36 N 2.03 0.01 0.07 -3.48 2.01 -1.24 -3.98 115.64 111.07 1s4g s THR 36 Ca 0.00 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 1s4g s THR 36 Cb 0.00 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.26 1s4g s THR 36 CO 0.00 -0.05 0.48 0.00 -0.69 0.00 0.00 174.62 174.36 1s4g s ALA 37 N -0.09 -1.19 -0.62 7.40 0.00 -0.85 -5.03 121.76 121.39 1s4g s ALA 37 Ca -0.02 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 1s4g s ALA 37 Cb -0.02 0.48 -0.12 0.00 0.00 0.00 0.00 23.12 23.46 1s4g s ALA 37 CO 0.00 -0.54 3.17 -1.91 0.00 0.00 0.00 175.76 176.48 1s4g n GLU 38 N 0.24 2.76 0.09 0.00 0.00 -1.26 -4.08 120.64 118.39 1s4g n GLU 38 Ca -0.18 -1.82 -0.06 0.00 0.00 0.00 0.00 57.16 55.10 1s4g n GLU 38 Cb 0.61 -2.28 -0.03 0.00 0.00 0.00 0.00 31.44 29.74 1s4g n GLU 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s4g n LYS 40 N -3.52 -1.34 -0.30 0.00 2.85 -1.26 -4.83 118.16 109.76 1s4g n LYS 40 Ca -0.01 0.68 0.10 0.00 -1.05 0.00 0.00 58.31 58.02 1s4g n LYS 40 Cb 0.84 -2.46 0.23 0.00 -0.65 0.00 0.00 35.03 32.99 1s4g n LYS 40 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1s4g h PRO 41 N -0.63 0.09 0.20 -1.58 0.11 -1.93 -1.51 132.00 126.76 1s4g h PRO 41 Ca -0.63 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.47 1s4g h PRO 41 Cb 1.39 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 1s4g h PRO 41 CO 0.39 0.06 -0.16 0.37 -0.21 0.00 0.00 178.00 178.45 1s4g h GLN 42 N 0.09 -0.34 -6.45 1.05 4.15 -1.90 -3.42 115.11 108.29 1s4g h GLN 42 Ca 0.51 0.02 -0.53 0.00 0.77 0.00 0.00 58.65 59.42 1s4g h GLN 42 Cb 0.98 0.08 0.02 0.00 0.21 0.00 0.00 27.48 28.76 1s4g h GLN 42 CO -0.76 -0.23 0.96 0.08 -1.93 0.00 0.00 178.83 176.96 1s4g s VAL 43 N -3.93 3.12 0.34 2.39 1.01 -0.57 -4.67 120.40 118.09 1s4g s VAL 43 Ca -0.06 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1s4g s VAL 43 Cb 0.01 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.91 1s4g s VAL 43 CO 0.19 0.00 1.53 1.07 0.00 0.00 0.00 175.10 177.89 1s4g n THR 44 N 4.66 1.59 -0.07 3.92 5.66 -1.26 -4.83 114.28 123.95 1s4g n THR 44 Ca 0.15 -0.40 -0.10 0.00 -3.05 0.00 0.00 64.05 60.65 1s4g n THR 44 Cb 0.41 -1.96 -0.09 0.00 -1.55 0.00 0.00 70.33 67.14 1s4g n THR 44 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1s4g h ARG 45 N 3.71 0.00 0.00 1.09 -0.00 -1.89 -3.46 114.38 113.82 1s4g h ARG 45 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 1s4g h ARG 45 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1s4g h ARG 45 CO 0.70 0.69 0.00 0.41 0.00 0.00 0.00 179.97 181.77 1s4g n GLY 46 N 1.65 -0.25 3.58 0.04 0.00 -1.26 -5.18 105.19 103.77 1s4g n GLY 46 Ca -0.08 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 3.18 0.32 1.61 1.47 -1.26 -5.06 116.67 116.93 1s4g s ASP 47 Ca 0.00 -1.72 0.00 0.00 1.18 0.00 0.00 52.55 52.01 1s4g s ASP 47 Cb 0.00 0.61 0.55 0.00 -0.34 0.00 0.00 42.92 43.73 1s4g s ASP 47 CO 0.00 -0.97 1.98 1.62 0.68 0.00 0.00 175.17 178.48 1s4g h VAL 48 N 1.63 1.16 -1.09 2.11 3.04 -2.03 -3.20 116.25 117.88 1s4g h VAL 48 Ca -0.36 -0.34 -0.70 0.00 -1.01 0.00 0.00 66.70 64.29 1s4g h VAL 48 Cb 1.29 0.09 -0.10 0.00 -2.01 0.00 0.00 31.29 30.55 1s4g h VAL 48 CO 0.58 0.18 2.11 0.33 -1.01 0.00 0.00 177.57 179.77 1s4g n PHE 49 N -4.43 4.53 0.33 3.17 7.35 -1.26 -4.79 117.46 122.36 1s4g n PHE 49 Ca 0.09 -2.97 0.22 0.00 -0.76 0.00 0.00 57.45 54.03 1s4g n PHE 49 Cb 0.07 -2.50 1.16 0.00 0.35 0.00 0.00 39.48 38.56 1s4g n PHE 49 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1s4g h THR 50 N 5.10 0.04 -0.01 -2.13 1.35 -1.91 -3.37 112.91 111.98 1s4g h THR 50 Ca 0.43 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 1s4g h THR 50 Cb 0.83 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1s4g h THR 50 CO 1.47 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 176.97