#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 0.00 -5.74 -0.67 4.20 -1.78 -1.83 115.11 109.29 1s4g h GLN 2 Ca 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 1s4g h GLN 2 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1s4g h GLN 2 CO 0.00 0.07 1.14 -1.21 -0.67 0.00 0.00 178.83 178.16 1s4g s GLU 3 N -3.25 2.89 -1.26 1.46 8.01 -1.26 -1.90 118.70 123.39 1s4g s GLU 3 Ca 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 54.97 54.07 1s4g s GLU 3 Cb 0.09 -5.22 0.00 0.00 -4.31 0.00 0.00 34.13 24.69 1s4g s GLU 3 CO 0.77 -3.21 1.07 0.43 0.01 0.00 0.00 175.26 174.34 1s4g n SER 4 N 12.52 -3.87 -3.33 -0.19 7.64 -1.26 -3.53 113.62 121.61 1s4g n SER 4 Ca 0.41 -0.58 -0.20 0.00 1.01 0.00 0.00 58.87 59.51 1s4g n SER 4 Cb 0.47 -5.06 0.08 0.00 -1.01 0.00 0.00 64.21 58.69 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 -4.43 4.40 0.00 0.00 5.02 -1.12 -4.32 118.16 117.71 1s4g n LYS 6 Ca -0.08 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 52.93 1s4g n LYS 6 Cb 0.59 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 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 1.84 0.68 3.70 0.72 0.00 -0.74 -0.90 105.19 110.49 1s4g n GLY 7 Ca 0.63 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1s4g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4g s ARG 8 N 0.00 4.29 0.00 1.61 0.52 -0.90 -4.97 118.95 119.49 1s4g s ARG 8 Ca 0.00 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1s4g s ARG 8 Cb 0.00 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1s4g s ARG 8 CO 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 175.30 174.79 1s4g h THR 10 N 0.00 0.30 -1.11 0.00 1.03 -1.77 -0.67 112.91 110.70 1s4g h THR 10 Ca 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 66.41 66.70 1s4g h THR 10 Cb 0.00 0.91 -0.09 0.00 -1.07 0.00 0.00 68.15 67.90 1s4g h THR 10 CO 0.00 0.00 0.73 -0.33 -0.01 0.00 0.00 175.52 175.91 1s4g h GLU 11 N 0.00 0.25 -0.65 0.00 3.07 -1.92 -2.61 114.58 112.73 1s4g h GLU 11 Ca 0.03 -0.02 -0.29 0.00 -0.50 0.00 0.00 59.36 58.58 1s4g h GLU 11 Cb 0.23 -0.06 -0.36 0.00 -0.84 0.00 0.00 28.75 27.73 1s4g h GLU 11 CO -0.00 0.17 -1.03 0.41 -1.40 0.00 0.00 179.01 177.15 1s4g n GLY 12 N -1.55 1.62 3.80 -3.84 0.00 -0.36 -5.11 105.19 99.74 1s4g n GLY 12 Ca 0.27 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.83 0.05 0.00 1.61 5.36 -0.56 -4.72 117.98 116.88 1s4g s PHE 13 Ca 0.25 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1s4g s PHE 13 Cb 0.41 0.71 0.00 0.00 -0.34 0.00 0.00 43.02 43.80 1s4g s PHE 13 CO -0.01 -1.39 0.00 -1.71 -1.46 0.00 0.00 175.22 170.65 1s4g n ASN 14 N -0.97 0.00 -4.80 6.13 2.85 -1.26 -4.43 115.26 112.78 1s4g n ASN 14 Ca -0.06 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.06 1s4g n ASN 14 Cb 0.60 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.56 1s4g n ASN 14 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1s4g s VAL 15 N 0.00 4.15 -1.53 3.44 0.11 -1.26 -4.69 120.40 120.62 1s4g s VAL 15 Ca 0.00 1.55 -0.09 0.00 -2.93 0.00 0.00 61.98 60.51 1s4g s VAL 15 Cb 0.00 -3.76 -0.02 0.00 -1.53 0.00 0.00 36.38 31.08 1s4g s VAL 15 CO 0.00 -0.08 2.72 -0.67 -3.33 0.00 0.00 175.10 173.74 1s4g n ASP 16 N -0.11 7.95 -4.56 3.54 2.03 -1.26 -4.38 116.55 119.75 1s4g n ASP 16 Ca 0.05 -2.75 -0.38 0.00 0.52 0.00 0.00 54.79 52.23 1s4g n ASP 16 Cb 0.52 -1.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.36 1s4g n ASP 16 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1s4g s LYS 17 N 1.47 3.30 0.03 -0.67 -2.85 -1.26 -4.80 119.74 114.95 1s4g s LYS 17 Ca 0.63 -0.82 -0.16 0.00 -1.00 0.00 0.00 55.97 54.62 1s4g s LYS 17 Cb 0.17 -5.17 -0.35 0.00 -2.06 0.00 0.00 37.83 30.42 1s4g s LYS 17 CO -0.07 -2.48 1.00 0.87 0.10 0.00 0.00 175.35 174.77 1s4g h LYS 18 N 10.29 0.55 -1.77 1.78 1.57 -1.94 -3.43 116.57 123.62 1s4g h LYS 18 Ca 0.13 -0.91 -0.37 0.00 -1.87 0.00 0.00 60.65 57.63 1s4g h LYS 18 Cb 1.02 0.34 -0.29 0.00 0.08 0.00 0.00 32.23 33.38 1s4g h LYS 18 CO 1.36 1.44 -0.71 0.00 -0.57 0.00 0.00 179.45 180.96 1s4g h GLN 20 N 6.03 0.00 0.00 0.00 4.15 -1.92 -3.43 115.11 119.94 1s4g h GLN 20 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1s4g h GLN 20 Cb 1.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1s4g h GLN 20 CO 0.20 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 177.10 1s4g h ASP 22 N 0.00 0.00 -3.30 0.00 2.03 -1.96 -3.39 116.42 109.80 1s4g h ASP 22 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 1s4g h ASP 22 Cb 0.00 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 38.62 1s4g h ASP 22 CO 0.00 0.00 0.36 -0.62 -1.03 0.00 0.00 179.24 177.95 1s4g n GLU 23 N -3.46 1.70 0.00 4.15 4.71 -1.26 -4.84 120.64 121.64 1s4g n GLU 23 Ca -0.03 0.61 0.00 0.00 -0.01 0.00 0.00 57.16 57.73 1s4g n GLU 23 Cb 0.10 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 1s4g n GLU 23 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1s4g n LEU 24 N 0.40 0.00 -0.31 -4.62 -0.00 -1.26 -1.36 117.00 109.84 1s4g n LEU 24 Ca 0.08 0.50 0.16 0.00 -0.00 0.00 0.00 56.01 56.75 1s4g n LEU 24 Cb 0.39 -0.50 0.35 0.00 -0.00 0.00 0.00 43.42 43.65 1s4g n LEU 24 CO 0.58 -0.50 1.02 0.00 -0.00 0.00 0.00 177.39 178.49 1s4g h SER 26 N 0.30 -1.43 -0.37 0.00 4.64 -1.10 -0.50 113.55 115.09 1s4g h SER 26 Ca 0.61 0.24 -0.15 0.00 -0.47 0.00 0.00 61.79 62.01 1s4g h SER 26 Cb 1.25 0.65 -0.01 0.00 -0.31 0.00 0.00 62.40 63.99 1s4g h SER 26 CO -0.61 -0.33 -0.37 1.88 -0.87 0.00 0.00 176.83 176.53 1s4g h TYR 27 N -0.23 1.08 -0.26 4.77 0.05 -1.55 -3.27 116.97 117.55 1s4g h TYR 27 Ca 0.18 -0.33 -0.61 0.00 0.05 0.00 0.00 58.73 58.03 1s4g h TYR 27 Cb 0.56 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1s4g h TYR 27 CO -0.69 1.14 2.84 0.98 -1.05 0.00 0.00 178.16 181.38 1s4g n TYR 28 N -4.10 2.07 -3.37 4.88 9.36 -0.35 -4.79 117.16 120.87 1s4g n TYR 28 Ca -0.03 -2.77 -0.14 0.00 3.32 0.00 0.00 57.90 58.28 1s4g n TYR 28 Cb 0.54 -2.20 -0.04 0.00 -0.63 0.00 0.00 39.34 37.01 1s4g n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s4g n GLN 29 N 2.96 -0.93 -4.00 2.98 0.00 -1.19 -4.83 117.38 112.37 1s4g n GLN 29 Ca 0.69 -0.01 -0.12 0.00 0.00 0.00 0.00 57.00 57.56 1s4g n GLN 29 Cb 0.35 -1.38 -0.02 0.00 0.00 0.00 0.00 30.24 29.18 1s4g n GLN 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1s4g s SER 30 N -3.71 0.53 0.86 2.61 0.01 -0.26 -4.95 113.70 108.79 1s4g s SER 30 Ca 0.03 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1s4g s SER 30 Cb -0.02 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1s4g s SER 30 CO 0.43 -1.39 0.00 0.00 0.41 0.00 0.00 173.24 172.68 1s4g n THR 33 N 4.69 0.00 0.30 0.00 -1.04 -1.26 -4.65 114.28 112.32 1s4g n THR 33 Ca 0.15 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.99 1s4g n THR 33 Cb 0.42 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.85 1s4g n THR 33 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1s4g h ASP 34 N 0.00 -0.88 -1.39 8.00 3.58 -1.75 -3.39 116.42 120.59 1s4g h ASP 34 Ca 0.00 0.06 -0.24 0.00 0.42 0.00 0.00 57.03 57.26 1s4g h ASP 34 Cb 0.00 0.27 -0.23 0.00 1.72 0.00 0.00 39.33 41.09 1s4g h ASP 34 CO 0.00 -0.53 -0.60 -0.72 -2.88 0.00 0.00 179.24 174.52 1s4g s TYR 35 N -6.03 -0.96 -1.21 0.28 1.13 -0.06 -4.94 117.35 105.56 1s4g s TYR 35 Ca -0.17 -0.72 -0.20 0.00 -1.41 0.00 0.00 57.07 54.56 1s4g s TYR 35 Cb 0.05 -0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 1s4g s TYR 35 CO 0.63 -1.13 1.87 -2.37 -2.51 0.00 0.00 175.55 172.04 1s4g n THR 36 N 3.49 2.74 0.00 -3.49 5.66 -0.49 -3.47 114.28 118.72 1s4g n THR 36 Ca 0.17 -2.81 0.00 0.00 -3.05 0.00 0.00 64.05 58.36 1s4g n THR 36 Cb 0.53 -2.27 0.00 0.00 -1.55 0.00 0.00 70.33 67.04 1s4g n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s4g n ALA 37 N 11.33 0.34 -3.66 1.79 0.00 -1.26 -5.03 120.51 124.01 1s4g n ALA 37 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 1s4g n ALA 37 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1s4g n ALA 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1s4g s GLU 38 N -1.47 2.04 -0.44 0.00 -1.05 -1.23 -4.59 118.70 111.97 1s4g s GLU 38 Ca 0.00 -1.36 0.05 0.00 -0.15 0.00 0.00 54.97 53.51 1s4g s GLU 38 Cb 0.00 0.59 0.17 0.00 -0.44 0.00 0.00 34.13 34.45 1s4g s GLU 38 CO 0.00 -0.94 0.48 0.00 0.95 0.00 0.00 175.26 175.76 1s4g n LYS 40 N 3.11 0.36 -1.91 0.00 2.85 -1.26 -5.00 118.16 116.31 1s4g n LYS 40 Ca 0.23 -1.05 -0.23 0.00 -1.05 0.00 0.00 58.31 56.21 1s4g n LYS 40 Cb 0.50 -0.58 -0.06 0.00 -0.65 0.00 0.00 35.03 34.25 1s4g n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1s4g s PRO 41 N 0.25 2.28 -0.16 -1.58 0.04 -1.26 -4.73 135.00 129.84 1s4g s PRO 41 Ca 0.26 -0.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 1s4g s PRO 41 Cb 0.24 -4.98 -0.08 0.00 0.04 0.00 0.00 34.50 29.72 1s4g s PRO 41 CO -0.14 -3.69 -0.03 0.37 0.04 0.00 0.00 177.00 173.55 1s4g h GLN 42 N 11.71 0.00 -7.13 4.56 4.15 -1.93 -3.46 115.11 123.00 1s4g h GLN 42 Ca 0.07 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.99 1s4g h GLN 42 Cb 1.00 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.74 1s4g h GLN 42 CO 1.15 0.31 0.26 0.08 -1.93 0.00 0.00 178.83 178.70 1s4g s VAL 43 N -2.22 4.80 0.17 2.39 1.01 -1.26 -4.91 120.40 120.38 1s4g s VAL 43 Ca -0.18 0.58 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 1s4g s VAL 43 Cb 0.03 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 32.39 1s4g s VAL 43 CO 0.32 -0.95 0.86 0.41 0.00 0.00 0.00 175.10 175.74 1s4g n THR 44 N -2.37 1.37 0.00 3.92 -1.04 -1.26 -1.97 114.28 112.93 1s4g n THR 44 Ca 0.03 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1s4g n THR 44 Cb 0.54 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1s4g n THR 44 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1s4g n ARG 45 N 1.24 0.00 -2.80 -2.82 0.00 -1.26 -3.73 116.66 107.29 1s4g n ARG 45 Ca 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.92 1s4g n ARG 45 Cb 0.23 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.72 1s4g n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s4g n GLY 46 N 0.00 0.13 7.00 5.14 0.00 -0.19 -4.81 105.19 112.47 1s4g n GLY 46 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.97 -2.93 0.09 1.61 8.00 -0.83 -1.58 116.55 122.88 1s4g n ASP 47 Ca 0.13 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.60 1s4g n ASP 47 Cb 0.60 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.90 1s4g n ASP 47 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1s4g h VAL 48 N 0.00 1.33 -0.11 2.53 -1.51 -1.90 -2.41 116.25 114.18 1s4g h VAL 48 Ca 0.00 -1.63 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1s4g h VAL 48 Cb 0.00 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1s4g h VAL 48 CO 0.00 0.49 0.05 0.15 -1.23 0.00 0.00 177.57 177.02 1s4g h PHE 49 N 0.20 0.17 -2.97 5.19 3.57 -1.98 -3.27 116.94 117.86 1s4g h PHE 49 Ca 0.01 -0.01 -0.62 0.00 3.53 0.00 0.00 57.97 60.89 1s4g h PHE 49 Cb 0.89 -0.05 -0.41 0.00 2.79 0.00 0.00 35.95 39.16 1s4g h PHE 49 CO 0.02 0.26 -0.64 0.95 -2.23 0.00 0.00 178.31 176.66 1s4g s THR 50 N -5.58 2.44 -2.06 4.41 -4.23 -0.61 -5.09 115.64 104.92 1s4g s THR 50 Ca -0.14 -3.95 0.32 0.00 -1.18 0.00 0.00 61.69 56.73 1s4g s THR 50 Cb 0.06 -2.61 0.87 0.00 1.34 0.00 0.00 72.50 72.15 1s4g s THR 50 CO 0.69 -1.03 2.17 0.80 -0.54 0.00 0.00 174.62 176.71