#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 n GLU 2 N 0.00 0.00 -0.21 -1.24 4.71 -1.26 -4.33 120.64 118.32 1ss3 n GLU 2 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1ss3 n GLU 2 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 31.44 30.53 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ss3 h ALA 3 N 0.00 0.62 -1.30 0.62 0.00 -2.04 0.18 119.26 117.34 1ss3 h ALA 3 Ca 0.00 0.19 0.38 0.00 0.00 0.00 0.00 54.91 55.48 1ss3 h ALA 3 Cb 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1ss3 h ALA 3 CO 0.00 -0.39 0.91 1.96 0.00 0.00 0.00 179.25 181.73 1ss3 h GLN 4 N 0.13 0.09 0.10 0.00 1.08 -2.00 0.31 115.11 114.81 1ss3 h GLN 4 Ca 0.33 -0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 57.22 1ss3 h GLN 4 Cb 0.53 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1ss3 h GLN 4 CO -0.53 0.06 -1.58 0.35 -0.95 0.00 0.00 178.83 176.18 1ss3 h PHE 5 N 0.09 0.37 -0.40 2.96 3.04 -1.22 -3.22 116.94 118.55 1ss3 h PHE 5 Ca 0.67 -0.27 0.12 0.00 3.98 0.00 0.00 57.97 62.47 1ss3 h PHE 5 Cb 2.41 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 40.89 1ss3 h PHE 5 CO -0.00 1.62 0.30 -0.22 -2.02 0.00 0.00 178.31 177.99 1ss3 h LYS 6 N -0.32 0.00 0.03 1.11 3.64 0.15 0.34 116.57 121.52 1ss3 h LYS 6 Ca -0.35 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.77 1ss3 h LYS 6 Cb 1.76 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.59 1ss3 h LYS 6 CO 0.01 0.00 -1.06 0.93 -2.27 0.00 0.00 179.45 177.07 1ss3 h GLU 7 N 0.00 0.54 -0.25 1.90 5.08 -0.65 -1.84 114.58 119.36 1ss3 h GLU 7 Ca 0.19 -0.63 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 1ss3 h GLU 7 Cb 0.79 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ss3 h GLU 7 CO -0.00 1.24 -0.27 0.00 -1.00 0.00 0.00 179.01 178.98 1ss3 h TYR 9 N 0.34 -0.21 0.26 0.00 5.03 -0.50 0.63 116.97 122.52 1ss3 h TYR 9 Ca 0.04 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1ss3 h TYR 9 Cb 0.83 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1ss3 h TYR 9 CO 0.08 -0.06 -0.12 0.22 -1.32 0.00 0.00 178.16 176.95 1ss3 h ASP 10 N -0.32 -0.29 -0.40 -2.11 1.82 -1.37 0.96 116.42 114.71 1ss3 h ASP 10 Ca -0.02 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.53 1ss3 h ASP 10 Cb 0.25 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1ss3 h ASP 10 CO 0.04 -0.14 0.10 0.74 -1.61 0.00 0.00 179.24 178.38 1ss3 h THR 11 N -0.44 1.23 -0.41 2.25 2.02 -1.06 -1.67 112.91 114.82 1ss3 h THR 11 Ca -0.04 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.42 1ss3 h THR 11 Cb 0.33 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1ss3 h THR 11 CO 0.06 0.27 0.18 0.00 0.37 0.00 0.00 175.52 176.39 1ss3 h HIS 13 N 0.37 1.06 0.16 0.00 6.17 -0.13 0.42 115.15 123.20 1ss3 h HIS 13 Ca 0.18 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.29 1ss3 h HIS 13 Cb 0.13 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.72 1ss3 h HIS 13 CO -0.12 0.33 -0.22 -0.22 0.71 0.00 0.00 177.93 178.41 1ss3 h LYS 14 N 0.85 -0.39 0.00 5.26 3.11 -0.30 0.36 116.57 125.46 1ss3 h LYS 14 Ca 0.53 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.40 1ss3 h LYS 14 Cb 0.72 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 1ss3 h LYS 14 CO -0.31 -0.26 0.00 -1.91 -2.81 0.00 0.00 179.45 174.17 1ss3 n GLU 15 N -3.69 0.09 -0.05 1.90 0.00 -0.89 -2.54 120.64 115.46 1ss3 n GLU 15 Ca -0.05 0.52 -0.01 0.00 0.00 0.00 0.00 57.16 57.62 1ss3 n GLU 15 Cb 0.19 -1.76 -0.00 0.00 0.00 0.00 0.00 31.44 29.86 1ss3 n GLU 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ss3 h SER 17 N -0.90 0.00 -0.95 0.00 0.87 -0.28 0.11 113.55 112.39 1ss3 h SER 17 Ca 0.00 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.81 1ss3 h SER 17 Cb 0.14 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 1ss3 h SER 17 CO 0.00 0.00 0.65 -0.78 -0.53 0.00 0.00 176.83 176.17 1ss3 h ASP 18 N 0.00 0.22 0.01 6.23 1.82 -1.57 0.14 116.42 123.28 1ss3 h ASP 18 Ca 0.23 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1ss3 h ASP 18 Cb 1.31 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.32 1ss3 h ASP 18 CO -0.00 0.07 0.00 0.29 -1.61 0.00 0.00 179.24 177.99 1ss3 n LYS 19 N -4.41 0.05 -0.91 0.28 4.76 0.38 -4.79 118.16 113.52 1ss3 n LYS 19 Ca 0.21 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1ss3 n LYS 19 Cb 0.88 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 1ss3 n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ss3 n GLY 20 N -1.40 0.66 3.72 0.72 0.00 0.50 -5.04 105.19 104.34 1ss3 n GLY 20 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1ss3 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ss3 s ASN 21 N -2.27 1.54 0.47 1.61 2.20 -1.25 -5.06 114.94 112.17 1ss3 s ASN 21 Ca 0.00 0.41 -0.13 0.00 -0.94 0.00 0.00 52.86 52.20 1ss3 s ASN 21 Cb 0.00 -0.52 -0.07 0.00 -2.00 0.00 0.00 41.25 38.67 1ss3 s ASN 21 CO 0.00 -3.72 0.88 -0.83 -2.94 0.00 0.00 177.10 170.49 1ss3 s GLY 22 N -4.34 1.97 0.14 0.45 0.00 -1.26 -4.80 107.32 99.48 1ss3 s GLY 22 Ca 0.73 -0.03 -0.18 0.00 0.00 0.00 0.00 44.72 45.24 1ss3 s GLY 22 CO 0.55 0.20 1.74 0.27 0.00 0.00 0.00 173.10 175.86 1ss3 h PHE 23 N 1.00 0.13 0.48 1.90 -5.15 -1.97 -1.15 116.94 112.18 1ss3 h PHE 23 Ca -0.47 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.30 1ss3 h PHE 23 Cb 1.19 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 37.34 1ss3 h PHE 23 CO 0.62 0.05 -0.26 1.15 -2.00 0.00 0.00 178.31 177.87 1ss3 h THR 24 N 0.18 0.46 -0.43 0.88 2.02 -1.98 0.69 112.91 114.74 1ss3 h THR 24 Ca 0.12 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.36 1ss3 h THR 24 Cb 0.10 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1ss3 h THR 24 CO -0.14 0.00 0.12 0.15 0.37 0.00 0.00 175.52 176.02 1ss3 h PHE 25 N -0.69 0.21 -0.24 3.16 3.57 -1.96 0.10 116.94 121.09 1ss3 h PHE 25 Ca -0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1ss3 h PHE 25 Cb 0.55 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1ss3 h PHE 25 CO -0.07 0.05 0.02 0.00 -2.23 0.00 0.00 178.31 176.08 1ss3 h GLU 27 N 0.35 -1.15 0.00 0.00 5.08 0.23 0.48 114.58 119.56 1ss3 h GLU 27 Ca 0.08 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ss3 h GLU 27 Cb 0.21 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ss3 h GLU 27 CO 0.00 -0.77 0.00 -1.33 -1.00 0.00 0.00 179.01 175.92 1ss3 n MET 28 N -5.59 0.06 -0.05 2.33 2.81 -0.42 -1.56 117.12 114.69 1ss3 n MET 28 Ca -0.15 0.49 -0.04 0.00 -1.81 0.00 0.00 57.70 56.19 1ss3 n MET 28 Cb 0.48 -1.66 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 1ss3 n MET 28 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ss3 n LYS 29 N -1.78 0.28 -0.49 0.03 0.00 -0.75 -3.97 118.16 111.48 1ss3 n LYS 29 Ca 0.00 0.29 0.43 0.00 0.00 0.00 0.00 58.31 59.04 1ss3 n LYS 29 Cb 0.06 -1.19 0.78 0.00 0.00 0.00 0.00 35.03 34.68 1ss3 n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ss3 h ASP 31 N 0.00 -0.96 0.52 0.00 1.82 -1.48 -2.37 116.42 113.96 1ss3 h ASP 31 Ca 0.73 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 57.35 1ss3 h ASP 31 Cb 2.94 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 43.20 1ss3 h ASP 31 CO -0.01 -0.64 -0.31 0.74 -1.61 0.00 0.00 179.24 177.42 1ss3 h THR 32 N -1.03 0.96 0.00 2.25 2.02 -1.17 -3.31 112.91 112.63 1ss3 h THR 32 Ca -0.10 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1ss3 h THR 32 Cb 0.81 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1ss3 h THR 32 CO 0.14 0.30 0.00 -0.67 0.37 0.00 0.00 175.52 175.66 1ss3 n ASP 33 N -3.80 0.00 -4.42 4.18 -0.08 0.81 -4.14 116.55 109.10 1ss3 n ASP 33 Ca -0.01 0.74 -0.44 0.00 -1.51 0.00 0.00 54.79 53.56 1ss3 n ASP 33 Cb 0.40 -0.24 -0.03 0.00 2.34 0.00 0.00 41.12 43.59 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ss3 s SER 35 N 3.39 -0.12 1.04 0.00 0.15 -1.26 -4.80 113.70 112.09 1ss3 s SER 35 Ca 0.26 0.22 -0.10 0.00 0.70 0.00 0.00 55.95 57.03 1ss3 s SER 35 Cb -0.10 0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.57 1ss3 s SER 35 CO -0.05 -0.05 0.73 0.52 1.20 0.00 0.00 173.24 175.59 1ss3 n VAL 36 N 1.50 0.00 -1.10 4.45 0.31 -1.26 -5.03 118.33 117.20 1ss3 n VAL 36 Ca -0.09 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1ss3 n VAL 36 Cb 0.57 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1ss3 n VAL 36 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ss3 n LYS 37 N -2.82 0.00 -4.31 5.55 4.81 -1.26 -5.13 118.16 115.00 1ss3 n LYS 37 Ca 0.09 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.22 1ss3 n LYS 37 Cb 0.33 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.22 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ss3 s ASP 38 N 1.45 2.92 -0.63 3.14 2.15 -1.26 -5.04 116.67 119.40 1ss3 s ASP 38 Ca 0.00 -0.56 0.05 0.00 0.43 0.00 0.00 52.55 52.46 1ss3 s ASP 38 Cb 0.00 -1.34 0.32 0.00 -0.30 0.00 0.00 42.92 41.60 1ss3 s ASP 38 CO 0.00 0.01 0.98 0.55 -0.17 0.00 0.00 175.17 176.55 1ss3 n VAL 39 N 4.43 3.21 -1.60 1.11 3.14 -1.26 -5.07 118.33 122.29 1ss3 n VAL 39 Ca -0.19 -5.56 -0.60 0.00 -2.96 0.00 0.00 64.34 55.03 1ss3 n VAL 39 Cb 0.51 -1.54 -0.09 0.00 -1.06 0.00 0.00 33.84 31.66 1ss3 n VAL 39 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ss3 n LYS 40 N -0.03 0.63 -2.32 1.45 5.02 -1.26 -4.80 118.16 116.85 1ss3 n LYS 40 Ca 0.32 0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 56.40 1ss3 n LYS 40 Cb 0.38 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ss3 s GLU 41 N 4.24 3.68 -0.51 1.97 0.41 -1.26 -4.89 118.70 122.35 1ss3 s GLU 41 Ca 1.06 1.13 -0.34 0.00 -0.41 0.00 0.00 54.97 56.41 1ss3 s GLU 41 Cb -1.23 -4.00 -0.14 0.00 -1.78 0.00 0.00 34.13 26.98 1ss3 s GLU 41 CO 0.68 -1.43 2.31 1.17 -0.49 0.00 0.00 175.26 177.49 1ss3 n LYS 42 N 7.85 0.74 -3.64 1.61 4.81 -1.26 -4.88 118.16 123.39 1ss3 n LYS 42 Ca 0.17 0.16 -0.08 0.00 -0.87 0.00 0.00 58.31 57.68 1ss3 n LYS 42 Cb 0.47 -2.31 -0.07 0.00 0.02 0.00 0.00 35.03 33.14 1ss3 n LYS 42 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ss3 s LEU 43 N 8.19 -0.85 0.26 3.14 1.43 -1.26 -5.18 118.68 124.41 1ss3 s LEU 43 Ca 1.14 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 55.69 1ss3 s LEU 43 Cb -0.91 2.31 -0.03 0.00 0.03 0.00 0.00 46.19 47.59 1ss3 s LEU 43 CO 0.48 -0.24 0.27 -1.61 0.23 0.00 0.00 176.35 175.48 1ss3 s GLU 44 N 1.49 1.49 1.18 1.70 2.02 -1.26 -5.17 118.70 120.15 1ss3 s GLU 44 Ca -0.09 -1.68 -0.17 0.00 0.02 0.00 0.00 54.97 53.05 1ss3 s GLU 44 Cb -0.05 0.34 0.25 0.00 0.10 0.00 0.00 34.13 34.77 1ss3 s GLU 44 CO -0.17 -0.55 0.56 0.27 0.02 0.00 0.00 175.26 175.39 1ss3 n ASN 45 N -0.75 -3.40 -2.61 -0.19 0.23 -1.26 -5.07 115.26 102.21 1ss3 n ASN 45 Ca 0.03 -0.56 -0.06 0.00 -0.53 0.00 0.00 54.58 53.46 1ss3 n ASN 45 Cb 0.64 -0.87 -0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1ss3 n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ss3 n TYR 46 N -4.94 -0.89 -3.55 -2.53 9.36 -1.26 -5.08 117.16 108.27 1ss3 n TYR 46 Ca 0.09 -0.52 -0.31 0.00 3.32 0.00 0.00 57.90 60.48 1ss3 n TYR 46 Cb 0.44 -0.09 -0.08 0.00 -0.63 0.00 0.00 39.34 38.98 1ss3 n TYR 46 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1ss3 n LYS 47 N -0.65 2.57 -1.97 2.98 -0.00 -1.26 -5.08 118.16 114.75 1ss3 n LYS 47 Ca -0.02 -4.58 -0.35 0.00 -0.00 0.00 0.00 58.31 53.36 1ss3 n LYS 47 Cb 0.14 -2.32 0.03 0.00 -0.00 0.00 0.00 35.03 32.88 1ss3 n LYS 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ss3 s PRO 48 N -2.03 2.94 1.04 -1.58 0.04 -1.26 -5.00 135.00 129.16 1ss3 s PRO 48 Ca 0.33 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 1ss3 s PRO 48 Cb 0.04 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.72 1ss3 s PRO 48 CO -0.06 -1.20 0.17 1.17 0.04 0.00 0.00 177.00 177.12 1ss3 n LYS 49 N -1.75 -1.00 0.00 4.56 4.81 -1.26 -5.34 118.16 118.18 1ss3 n LYS 49 Ca 0.13 -0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1ss3 n LYS 49 Cb 0.50 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86