#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bus n ALA 3 N 0.00 0.00 -0.36 4.61 0.00 -1.26 -4.79 120.51 118.71 1bus n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bus n ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bus n ALA 3 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bus n GLN 4 N 0.00 0.00 -3.48 0.00 3.00 -1.26 -4.93 117.38 110.71 1bus n GLN 4 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1bus n GLN 4 Cb 0.00 -2.42 -0.13 0.00 0.00 0.00 0.00 30.24 27.69 1bus n GLN 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1bus s VAL 5 N -2.88 0.01 0.10 5.09 1.01 -1.26 -5.11 120.40 117.36 1bus s VAL 5 Ca 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1bus s VAL 5 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1bus s VAL 5 CO 0.00 -0.86 0.14 -0.90 0.00 0.00 0.00 175.10 173.48 1bus n ASP 6 N 4.52 -0.38 -2.60 3.32 5.68 -1.26 -5.04 116.55 120.79 1bus n ASP 6 Ca 0.05 -1.52 -0.33 0.00 -0.50 0.00 0.00 54.79 52.49 1bus n ASP 6 Cb 0.40 0.70 0.03 0.00 -1.14 0.00 0.00 41.12 41.11 1bus n ASP 6 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bus h ALA 8 N 2.64 0.47 0.00 0.00 0.00 -2.01 -3.12 119.26 117.24 1bus h ALA 8 Ca 0.47 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1bus h ALA 8 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bus h ALA 8 CO 1.20 1.34 0.00 1.05 0.00 0.00 0.00 179.25 182.84 1bus h GLU 9 N 0.00 0.00 -0.92 0.00 9.09 -2.00 -2.43 114.58 118.32 1bus h GLU 9 Ca -0.09 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.69 1bus h GLU 9 Cb 1.84 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 28.61 1bus h GLU 9 CO 0.12 0.00 0.37 1.19 0.05 0.00 0.00 179.01 180.74 1bus n PHE 10 N -2.93 3.06 -1.53 2.06 3.72 -1.18 -4.57 117.46 116.09 1bus n PHE 10 Ca -0.01 -2.76 -0.30 0.00 -0.05 0.00 0.00 57.45 54.33 1bus n PHE 10 Cb 0.16 -1.11 -0.01 0.00 -0.94 0.00 0.00 39.48 37.58 1bus n PHE 10 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1bus n LYS 11 N -0.87 2.46 -0.95 -1.08 2.85 -0.92 -5.00 118.16 114.65 1bus n LYS 11 Ca 0.57 -2.69 -0.36 0.00 -1.05 0.00 0.00 58.31 54.79 1bus n LYS 11 Cb 0.77 -2.13 0.06 0.00 -0.65 0.00 0.00 35.03 33.08 1bus n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1bus n ASP 12 N 0.24 -5.00 -4.81 -5.58 8.00 -1.26 -4.74 116.55 103.40 1bus n ASP 12 Ca 0.49 0.19 -0.36 0.00 0.71 0.00 0.00 54.79 55.82 1bus n ASP 12 Cb 0.47 -0.83 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1bus n ASP 12 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1bus s PRO 13 N -2.34 3.83 0.00 -0.24 0.04 -1.26 -5.05 135.00 129.98 1bus s PRO 13 Ca 0.43 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1bus s PRO 13 Cb -0.16 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1bus s PRO 13 CO 0.78 0.54 0.00 1.17 0.04 0.00 0.00 177.00 179.54 1bus n LYS 14 N 2.69 0.00 -3.56 4.56 3.00 -1.26 -5.09 118.16 118.51 1bus n LYS 14 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.73 1bus n LYS 14 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.49 1bus n LYS 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1bus s VAL 15 N 0.00 4.43 0.30 3.15 1.01 -1.26 -5.06 120.40 122.97 1bus s VAL 15 Ca 0.00 -2.53 0.06 0.00 0.00 0.00 0.00 61.98 59.51 1bus s VAL 15 Cb 0.00 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1bus s VAL 15 CO 0.00 -0.90 0.41 -0.47 0.00 0.00 0.00 175.10 174.13 1bus s TYR 16 N 0.35 3.20 -0.25 5.22 5.04 -1.26 -4.87 117.35 124.79 1bus s TYR 16 Ca 0.15 -0.16 -0.29 0.00 -2.44 0.00 0.00 57.07 54.33 1bus s TYR 16 Cb -0.18 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.32 1bus s TYR 16 CO -0.05 0.18 1.15 0.00 -1.34 0.00 0.00 175.55 175.49 1bus n THR 18 N 5.62 0.00 -2.58 0.00 -1.04 -1.26 -5.16 114.28 109.86 1bus n THR 18 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1bus n THR 18 Cb 0.46 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1bus n THR 18 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1bus n ARG 19 N -0.47 2.31 -1.60 -2.82 3.00 -1.26 -5.10 116.66 110.72 1bus n ARG 19 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.85 57.36 1bus n ARG 19 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1bus n ARG 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1bus n GLU 20 N 0.00 1.38 -2.56 -0.14 4.71 -1.26 -4.86 120.64 117.91 1bus n GLU 20 Ca 0.00 0.49 -0.15 0.00 -0.01 0.00 0.00 57.16 57.50 1bus n GLU 20 Cb 0.00 -2.07 0.02 0.00 -1.01 0.00 0.00 31.44 28.38 1bus n GLU 20 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1bus n SER 21 N 2.26 2.86 -0.97 1.62 7.64 -1.26 -5.01 113.62 120.75 1bus n SER 21 Ca 0.15 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1bus n SER 21 Cb 0.25 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1bus n SER 21 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bus n ASN 22 N -0.36 -5.83 -4.73 6.43 5.15 -1.26 -3.68 115.26 110.98 1bus n ASN 22 Ca 0.22 0.69 -0.41 0.00 -0.60 0.00 0.00 54.58 54.48 1bus n ASN 22 Cb 0.79 -2.15 -0.04 0.00 -0.53 0.00 0.00 39.78 37.84 1bus n ASN 22 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1bus s PRO 23 N -2.98 4.57 -0.10 1.20 0.05 -1.24 -4.14 135.00 132.36 1bus s PRO 23 Ca 0.00 1.26 -0.12 0.00 0.05 0.00 0.00 61.00 62.19 1bus s PRO 23 Cb 0.00 -3.40 0.03 0.00 0.05 0.00 0.00 34.50 31.18 1bus s PRO 23 CO 0.00 0.16 0.33 -3.38 0.05 0.00 0.00 177.00 174.16 1bus s HIS 24 N 0.28 -0.33 0.48 0.56 -3.43 -0.55 -3.43 115.29 108.87 1bus s HIS 24 Ca 0.44 0.77 -0.19 0.00 -0.80 0.00 0.00 55.06 55.28 1bus s HIS 24 Cb -0.21 0.12 -0.09 0.00 -1.43 0.00 0.00 32.58 30.97 1bus s HIS 24 CO 0.26 -0.21 1.00 0.00 -2.00 0.00 0.00 174.74 173.78 1bus n GLY 26 N -0.67 0.29 0.00 0.00 0.00 -0.42 -3.64 105.19 100.75 1bus n GLY 26 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1bus n GLY 26 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bus n SER 27 N 0.00 1.49 0.12 1.61 2.88 0.48 -2.01 113.62 118.19 1bus n SER 27 Ca -0.19 -0.34 -0.02 0.00 -1.33 0.00 0.00 58.87 57.00 1bus n SER 27 Cb 0.56 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.10 1bus n SER 27 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1bus h ASN 28 N 0.00 0.00 0.00 -3.46 -0.26 -1.89 0.36 115.58 110.33 1bus h ASN 28 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1bus h ASN 28 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 37.15 1bus h ASN 28 CO 0.00 0.69 0.13 0.61 -1.06 0.00 0.00 177.43 177.80 1bus n GLY 29 N 0.73 -1.89 3.44 2.83 0.00 -1.26 -4.92 105.19 104.13 1bus n GLY 29 Ca -0.00 1.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.91 1bus n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bus s GLU 30 N 0.01 1.17 0.19 1.61 2.02 -1.26 -5.05 118.70 117.37 1bus s GLU 30 Ca 0.21 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 1bus s GLU 30 Cb 0.27 0.54 -0.08 0.00 0.10 0.00 0.00 34.13 34.96 1bus s GLU 30 CO -0.18 -0.45 0.98 0.99 0.02 0.00 0.00 175.26 176.61 1bus s THR 31 N -2.76 4.16 -0.02 3.63 2.01 -1.26 -1.30 115.64 120.10 1bus s THR 31 Ca -0.04 1.99 0.07 0.00 0.31 0.00 0.00 61.69 64.02 1bus s THR 31 Cb -0.01 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1bus s THR 31 CO -0.04 0.40 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.76 1bus s TYR 32 N -0.65 2.00 0.00 4.92 2.02 0.95 -4.81 117.35 121.77 1bus s TYR 32 Ca 0.44 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1bus s TYR 32 Cb -0.26 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 1bus s TYR 32 CO 0.32 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 1bus n GLY 33 N 2.57 -1.07 2.11 0.71 0.00 -1.26 -1.49 105.19 106.77 1bus n GLY 33 Ca -0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1bus n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bus n ASN 34 N 0.00 1.08 0.21 1.61 5.03 -1.26 -3.59 115.26 118.34 1bus n ASN 34 Ca 0.00 -1.80 0.06 0.00 0.87 0.00 0.00 54.58 53.71 1bus n ASN 34 Cb 0.00 -0.25 0.46 0.00 -1.02 0.00 0.00 39.78 38.97 1bus n ASN 34 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1bus h LYS 35 N 0.00 0.00 0.00 3.52 -0.00 -1.80 -0.71 116.57 117.59 1bus h LYS 35 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 1bus h LYS 35 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.90 1bus h LYS 35 CO 0.21 0.28 0.00 0.00 -0.00 0.00 0.00 179.45 179.94 1bus h ALA 37 N -2.00 2.11 0.36 0.00 0.00 -1.94 0.33 119.26 118.11 1bus h ALA 37 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1bus h ALA 37 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bus h ALA 37 CO 0.00 -0.47 -0.17 0.35 0.00 0.00 0.00 179.25 178.95 1bus h PHE 38 N 0.47 -0.44 0.00 0.00 3.57 -0.98 -0.83 116.94 118.72 1bus h PHE 38 Ca 0.55 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.97 1bus h PHE 38 Cb 1.28 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 1bus h PHE 38 CO -0.00 -0.28 -0.35 0.00 -2.23 0.00 0.00 178.31 175.46 1bus h LYS 40 N 0.00 0.27 0.51 0.00 3.64 -0.42 0.33 116.57 120.90 1bus h LYS 40 Ca -0.00 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1bus h LYS 40 Cb 0.79 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1bus h LYS 40 CO 0.04 0.59 -0.27 0.00 -2.27 0.00 0.00 179.45 177.54 1bus h ALA 41 N 0.68 -0.72 -1.04 5.00 0.00 -0.96 -1.83 119.26 120.39 1bus h ALA 41 Ca 0.03 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.06 1bus h ALA 41 Cb 0.50 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 1bus h ALA 41 CO 0.02 -0.91 0.65 0.28 0.00 0.00 0.00 179.25 179.28 1bus h VAL 42 N -0.72 0.51 0.00 0.00 2.07 -1.21 0.89 116.25 117.79 1bus h VAL 42 Ca -0.07 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1bus h VAL 42 Cb 0.57 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1bus h VAL 42 CO 0.09 0.08 0.00 0.80 0.02 0.00 0.00 177.57 178.57 1bus n MET 43 N -4.74 0.00 -1.71 1.57 0.00 0.10 -2.91 117.12 109.43 1bus n MET 43 Ca 0.27 0.20 -0.32 0.00 0.00 0.00 0.00 57.70 57.84 1bus n MET 43 Cb 0.85 -1.09 -0.03 0.00 0.00 0.00 0.00 33.22 32.95 1bus n MET 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1bus n LYS 44 N -0.90 3.20 0.00 2.12 4.81 -0.97 -4.67 118.16 121.75 1bus n LYS 44 Ca 0.00 -2.84 0.00 0.00 -0.87 0.00 0.00 58.31 54.60 1bus n LYS 44 Cb 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1bus n LYS 44 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1bus n SER 45 N 1.00 0.00 0.00 3.14 2.88 0.31 -4.90 113.62 116.05 1bus n SER 45 Ca 0.53 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1bus n SER 45 Cb 0.43 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1bus n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bus n GLY 46 N 1.46 1.47 0.00 0.46 0.00 -1.26 -4.94 105.19 102.38 1bus n GLY 46 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1bus n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bus n GLY 47 N 0.00 0.30 3.48 -0.02 0.00 -1.26 -5.14 105.19 102.55 1bus n GLY 47 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1bus n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bus s LYS 48 N 0.00 0.23 -0.22 1.61 0.00 -1.26 -5.12 119.74 114.99 1bus s LYS 48 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 55.97 56.45 1bus s LYS 48 Cb 0.00 0.20 0.06 0.00 0.00 0.00 0.00 37.83 38.09 1bus s LYS 48 CO 0.00 -0.06 0.01 0.42 0.00 0.00 0.00 175.35 175.72 1bus s ILE 49 N 1.83 0.86 0.05 3.79 1.01 -1.26 -4.85 121.20 122.63 1bus s ILE 49 Ca -0.05 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1bus s ILE 49 Cb -0.04 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1bus s ILE 49 CO -0.15 -0.21 0.34 0.20 0.00 0.00 0.00 174.94 175.11 1bus s ASN 50 N 1.70 6.56 -0.25 3.58 0.01 0.13 -4.31 114.94 122.36 1bus s ASN 50 Ca -0.02 0.67 -0.29 0.00 -0.71 0.00 0.00 52.86 52.51 1bus s ASN 50 Cb -0.18 -2.13 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 1bus s ASN 50 CO -0.09 0.20 1.73 -0.76 -1.51 0.00 0.00 177.10 176.67 1bus s LEU 51 N -1.91 3.76 0.00 0.60 2.01 -1.26 0.18 118.68 122.06 1bus s LEU 51 Ca 0.31 1.57 0.00 0.00 0.01 0.00 0.00 54.13 56.02 1bus s LEU 51 Cb -0.13 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.54 1bus s LEU 51 CO 0.18 -1.44 0.00 1.17 1.01 0.00 0.00 176.35 177.27 1bus n LYS 52 N 7.98 0.00 -3.14 1.70 3.00 -1.24 -4.88 118.16 121.59 1bus n LYS 52 Ca 0.21 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.23 1bus n LYS 52 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.46 1bus n LYS 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1bus s HIS 53 N 0.60 3.49 -1.25 5.64 3.76 -1.26 -4.91 115.29 121.35 1bus s HIS 53 Ca 0.00 0.73 -0.09 0.00 -0.15 0.00 0.00 55.06 55.55 1bus s HIS 53 Cb 0.00 -2.19 0.18 0.00 1.11 0.00 0.00 32.58 31.69 1bus s HIS 53 CO 0.00 0.05 1.78 -2.13 -0.85 0.00 0.00 174.74 173.59 1bus n ARG 54 N -1.27 3.70 0.00 1.40 3.00 -1.26 -1.26 116.66 120.97 1bus n ARG 54 Ca -0.01 -3.68 0.00 0.00 -0.00 0.00 0.00 57.85 54.16 1bus n ARG 54 Cb 0.54 -2.88 0.00 0.00 0.00 0.00 0.00 32.46 30.12 1bus n ARG 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bus n GLY 55 N 2.75 0.31 3.76 5.14 0.00 -1.22 -4.96 105.19 110.97 1bus n GLY 55 Ca 0.38 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1bus n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bus s LYS 56 N -0.32 3.40 0.00 1.61 -0.14 -1.26 -4.00 119.74 119.03 1bus s LYS 56 Ca 0.00 2.33 0.17 0.00 -1.36 0.00 0.00 55.97 57.11 1bus s LYS 56 Cb 0.00 -2.45 0.13 0.00 -1.68 0.00 0.00 37.83 33.83 1bus s LYS 56 CO 0.00 -1.02 1.03 0.00 -0.76 0.00 0.00 175.35 174.61