#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 3.34 -2.22 -0.67 7.27 -1.26 -4.84 117.38 119.00 1s4g n GLN 2 Ca 0.00 -1.95 -0.43 0.00 0.07 0.00 0.00 57.00 54.69 1s4g n GLN 2 Cb 0.00 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.03 1s4g n GLN 2 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1s4g n GLU 3 N 3.31 3.12 -2.31 3.69 -0.58 -1.26 -4.24 120.64 122.38 1s4g n GLU 3 Ca 0.71 -3.08 -0.42 0.00 -0.42 0.00 0.00 57.16 53.95 1s4g n GLU 3 Cb 0.38 -3.28 -0.03 0.00 -0.57 0.00 0.00 31.44 27.94 1s4g n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1s4g s SER 4 N 3.18 6.98 -1.42 1.62 0.01 -1.26 -3.26 113.70 119.55 1s4g s SER 4 Ca 0.48 2.22 -0.11 0.00 1.31 0.00 0.00 55.95 59.86 1s4g s SER 4 Cb 0.08 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1s4g s SER 4 CO -0.01 -0.50 1.12 0.00 0.41 0.00 0.00 173.24 174.25 1s4g n LYS 6 N -4.90 1.47 -2.96 0.00 5.02 -1.20 -2.67 118.16 112.91 1s4g n LYS 6 Ca 0.02 -3.81 -0.12 0.00 -2.02 0.00 0.00 58.31 52.38 1s4g n LYS 6 Cb 0.55 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.07 -0.35 2.05 0.72 0.00 0.05 -4.93 105.19 103.80 1s4g n GLY 7 Ca 0.25 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1s4g n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s4g n ARG 8 N -3.11 0.00 -1.63 1.61 0.63 -1.26 -5.12 116.66 107.78 1s4g n ARG 8 Ca -0.15 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.49 1s4g n ARG 8 Cb 0.61 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.66 1s4g n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s4g n THR 10 N -3.71 1.80 -0.03 0.00 -2.24 -1.26 -4.82 114.28 104.02 1s4g n THR 10 Ca 0.08 -4.34 -0.02 0.00 -2.27 0.00 0.00 64.05 57.50 1s4g n THR 10 Cb 0.60 -0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 1s4g n THR 10 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s4g n GLU 11 N -0.26 0.18 0.00 -0.78 1.02 -1.26 -5.11 120.64 114.43 1s4g n GLU 11 Ca 0.27 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1s4g n GLU 11 Cb 0.69 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 1s4g n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s4g n GLY 12 N 1.62 0.16 3.34 0.62 0.00 -1.26 -5.01 105.19 104.67 1s4g n GLY 12 Ca -0.04 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 1s4g n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s4g n PHE 13 N 0.00 4.37 -1.60 1.61 7.35 -1.26 -4.84 117.46 123.09 1s4g n PHE 13 Ca 0.00 -2.92 -0.33 0.00 -0.76 0.00 0.00 57.45 53.43 1s4g n PHE 13 Cb 0.00 -2.55 -0.04 0.00 0.35 0.00 0.00 39.48 37.24 1s4g n PHE 13 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1s4g n ASN 14 N 7.42 7.52 0.06 -2.13 3.02 -1.26 -4.06 115.26 125.83 1s4g n ASN 14 Ca 0.48 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1s4g n ASN 14 Cb 0.44 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 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 2.06 0.46 0.00 2.41 0.31 -1.09 -0.77 118.33 121.70 1s4g n VAL 15 Ca 0.61 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 1s4g n VAL 15 Cb 0.40 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1s4g n VAL 15 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1s4g n ASP 16 N -3.17 0.00 -3.86 4.52 2.03 -1.26 -4.45 116.55 110.36 1s4g n ASP 16 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1s4g n ASP 16 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1s4g n ASP 16 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s4g n LYS 17 N -0.04 -1.13 -0.28 -0.67 3.00 -0.54 -4.64 118.16 113.86 1s4g n LYS 17 Ca 0.00 0.56 0.05 0.00 -0.00 0.00 0.00 58.31 58.91 1s4g n LYS 17 Cb 0.00 -2.47 0.19 0.00 0.00 0.00 0.00 35.03 32.75 1s4g n LYS 17 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1s4g h LYS 18 N -1.03 0.59 -6.72 1.64 1.57 -0.99 -3.39 116.57 108.25 1s4g h LYS 18 Ca -0.65 -0.04 -0.68 0.00 -1.87 0.00 0.00 60.65 57.41 1s4g h LYS 18 Cb 1.39 -0.13 -0.22 0.00 0.08 0.00 0.00 32.23 33.35 1s4g h LYS 18 CO 0.42 0.39 -0.83 0.00 -0.57 0.00 0.00 179.45 178.86 1s4g n GLN 20 N 1.20 0.00 -2.94 0.00 -0.06 -1.26 -0.59 117.38 113.74 1s4g n GLN 20 Ca -0.16 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.82 1s4g n GLN 20 Cb 0.52 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.71 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1s4g s ASP 22 N 1.34 0.61 0.17 0.00 1.11 -1.26 -4.22 116.67 114.43 1s4g s ASP 22 Ca 0.23 -0.22 -0.14 0.00 0.18 0.00 0.00 52.55 52.59 1s4g s ASP 22 Cb -0.01 -0.03 0.09 0.00 1.07 0.00 0.00 42.92 44.04 1s4g s ASP 22 CO -0.07 -0.03 1.79 -0.33 1.18 0.00 0.00 175.17 177.71 1s4g h GLU 23 N 5.57 0.46 -0.88 8.23 5.08 -1.96 0.15 114.58 131.24 1s4g h GLU 23 Ca -0.30 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1s4g h GLU 23 Cb 1.20 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1s4g h GLU 23 CO 0.47 0.30 0.57 1.37 -1.00 0.00 0.00 179.01 180.73 1s4g h LEU 24 N 0.47 0.82 0.00 1.33 8.10 -1.94 -2.74 115.31 121.35 1s4g h LEU 24 Ca 0.19 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.20 1s4g h LEU 24 Cb 0.08 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.14 1s4g h LEU 24 CO -0.12 0.50 -1.71 0.00 -4.11 0.00 0.00 178.44 173.00 1s4g h SER 26 N 0.00 0.00 -0.13 0.00 4.64 -0.65 0.01 113.55 117.42 1s4g h SER 26 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1s4g h SER 26 Cb 0.99 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1s4g h SER 26 CO 0.00 0.02 -0.66 1.88 -0.87 0.00 0.00 176.83 177.20 1s4g h TYR 27 N 0.00 0.90 0.19 4.77 0.05 -1.67 -3.37 116.97 117.85 1s4g h TYR 27 Ca -0.00 -0.40 -0.01 0.00 0.05 0.00 0.00 58.73 58.37 1s4g h TYR 27 Cb 0.06 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1s4g h TYR 27 CO 0.00 1.21 -0.09 -0.92 -1.05 0.00 0.00 178.16 177.31 1s4g h TYR 28 N 0.34 -0.24 -1.40 4.88 5.03 -1.27 -3.48 116.97 120.83 1s4g h TYR 28 Ca -0.05 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1s4g h TYR 28 Cb 1.30 0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.65 1s4g h TYR 28 CO 0.10 0.15 0.00 0.00 -1.32 0.00 0.00 178.16 177.09 1s4g n GLN 29 N -5.00 0.00 0.28 1.82 10.64 -0.17 -5.08 117.38 119.87 1s4g n GLN 29 Ca -0.09 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.93 1s4g n GLN 29 Cb 0.26 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.56 1s4g n GLN 29 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1s4g h SER 30 N 0.00 -0.58 0.00 2.61 4.64 -1.81 -3.32 113.55 115.09 1s4g h SER 30 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1s4g h SER 30 Cb 0.00 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1s4g h SER 30 CO 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 1s4g n THR 33 N 5.42 -1.74 0.13 0.00 -2.24 -1.24 -4.78 114.28 109.83 1s4g n THR 33 Ca 0.19 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1s4g n THR 33 Cb 0.41 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 1s4g n THR 33 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1s4g n ASP 34 N -2.84 -0.16 -3.89 3.42 2.03 -0.57 -5.16 116.55 109.38 1s4g n ASP 34 Ca -0.19 0.44 -0.13 0.00 0.52 0.00 0.00 54.79 55.42 1s4g n ASP 34 Cb 0.62 0.37 -0.08 0.00 -0.72 0.00 0.00 41.12 41.31 1s4g n ASP 34 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1s4g s TYR 35 N -2.00 1.12 0.30 -0.67 5.04 -0.55 -4.95 117.35 115.64 1s4g s TYR 35 Ca 0.00 -1.31 -0.19 0.00 -2.44 0.00 0.00 57.07 53.13 1s4g s TYR 35 Cb 0.00 -0.40 0.03 0.00 0.35 0.00 0.00 41.96 41.94 1s4g s TYR 35 CO 0.00 -0.81 0.72 -0.08 -1.34 0.00 0.00 175.55 174.04 1s4g s THR 36 N -3.87 0.00 0.00 4.34 -1.32 -1.26 -4.31 115.64 109.22 1s4g s THR 36 Ca 0.35 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 1s4g s THR 36 Cb 0.04 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.85 1s4g s THR 36 CO 0.15 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.56 1s4g n ALA 37 N -0.47 0.00 0.42 11.08 0.00 0.24 -4.34 120.51 127.44 1s4g n ALA 37 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1s4g n ALA 37 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 1s4g n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s4g n GLU 38 N 0.00 3.66 0.00 0.00 -0.58 -1.26 -0.45 120.64 122.01 1s4g n GLU 38 Ca 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1s4g n GLU 38 Cb 0.00 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1s4g n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s4g n LYS 40 N 0.00 1.91 -1.88 0.00 2.85 -1.26 -4.89 118.16 114.89 1s4g n LYS 40 Ca 0.00 0.68 -0.42 0.00 -1.05 0.00 0.00 58.31 57.52 1s4g n LYS 40 Cb 0.00 -2.48 -0.03 0.00 -0.65 0.00 0.00 35.03 31.87 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 -2.45 3.99 0.03 -1.58 0.04 -1.26 -4.95 135.00 128.82 1s4g s PRO 41 Ca 0.64 2.21 -0.14 0.00 0.04 0.00 0.00 61.00 63.75 1s4g s PRO 41 Cb -0.47 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.00 1s4g s PRO 41 CO 0.55 -1.09 0.31 -1.14 0.04 0.00 0.00 177.00 175.67 1s4g s GLN 42 N 4.53 0.78 -0.99 4.56 -0.44 -1.26 -5.08 119.66 121.75 1s4g s GLN 42 Ca 0.81 -0.42 -0.24 0.00 -2.50 0.00 0.00 55.36 53.01 1s4g s GLN 42 Cb -0.35 0.34 -0.03 0.00 -1.64 0.00 0.00 33.01 31.33 1s4g s GLN 42 CO 0.34 -0.24 1.84 0.08 0.50 0.00 0.00 175.29 177.81 1s4g s VAL 43 N -2.22 3.59 0.34 1.34 1.01 -1.26 -4.94 120.40 118.26 1s4g s VAL 43 Ca -0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1s4g s VAL 43 Cb -0.02 -4.36 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 1s4g s VAL 43 CO -0.01 -1.20 1.49 0.41 0.00 0.00 0.00 175.10 175.80 1s4g n THR 44 N 7.60 1.62 -3.63 3.92 -1.04 -1.26 -5.02 114.28 116.47 1s4g n THR 44 Ca 0.40 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 1s4g n THR 44 Cb 0.48 -1.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.03 1s4g n THR 44 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1s4g s ARG 45 N -1.46 0.92 -0.24 -2.82 3.52 -1.26 -5.10 118.95 112.52 1s4g s ARG 45 Ca 0.58 -0.14 -0.16 0.00 -0.13 0.00 0.00 55.73 55.88 1s4g s ARG 45 Cb -0.50 0.42 -0.11 0.00 -1.56 0.00 0.00 34.95 33.20 1s4g s ARG 45 CO 0.58 -0.30 -0.27 0.41 -0.81 0.00 0.00 175.30 174.90 1s4g n GLY 46 N 0.76 -0.56 3.81 8.12 0.00 -1.23 -2.77 105.19 113.32 1s4g n GLY 46 Ca -0.19 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -6.90 7.05 0.00 1.61 -4.77 -1.26 -3.86 116.67 108.55 1s4g s ASP 47 Ca -0.34 1.55 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 1s4g s ASP 47 Cb 0.10 -2.47 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 1s4g s ASP 47 CO 0.47 -0.11 0.00 0.52 0.70 0.00 0.00 175.17 176.75 1s4g n VAL 48 N 0.22 0.00 -2.34 2.11 0.31 -1.26 -4.63 118.33 112.75 1s4g n VAL 48 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 1s4g n VAL 48 Cb 0.52 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.42 1s4g n VAL 48 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1s4g s PHE 49 N 0.00 2.55 0.28 3.52 2.19 -1.26 -5.00 117.98 120.26 1s4g s PHE 49 Ca 0.00 0.79 -0.29 0.00 0.33 0.00 0.00 56.93 57.76 1s4g s PHE 49 Cb 0.00 -3.87 -0.10 0.00 -1.31 0.00 0.00 43.02 37.74 1s4g s PHE 49 CO 0.00 -2.07 1.25 0.99 1.83 0.00 0.00 175.22 177.23 1s4g s THR 50 N 4.45 3.06 -2.00 0.12 2.01 -1.26 -3.56 115.64 118.46 1s4g s THR 50 Ca 0.60 1.00 0.19 0.00 0.31 0.00 0.00 61.69 63.80 1s4g s THR 50 Cb -0.20 -3.64 0.54 0.00 0.01 0.00 0.00 72.50 69.21 1s4g s THR 50 CO 0.24 0.21 1.53 1.15 -0.69 0.00 0.00 174.62 177.06