#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tot s GLN 2 N 0.00 0.97 0.19 1.61 -2.07 -1.26 -3.44 119.66 115.66 1tot s GLN 2 Ca 0.00 -0.43 -0.07 0.00 -1.82 0.00 0.00 55.36 53.05 1tot s GLN 2 Cb 0.00 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.34 1tot s GLN 2 CO 0.00 -0.35 0.27 0.34 -1.32 0.00 0.00 175.29 174.23 1tot s ASP 3 N -2.19 0.07 0.56 12.60 2.15 0.51 -4.93 116.67 125.44 1tot s ASP 3 Ca -0.03 -1.06 0.24 0.00 0.43 0.00 0.00 52.55 52.13 1tot s ASP 3 Cb -0.00 0.44 1.53 0.00 -0.30 0.00 0.00 42.92 44.59 1tot s ASP 3 CO -0.05 -0.92 2.13 0.08 -0.17 0.00 0.00 175.17 176.24 1tot h ARG 4 N 2.53 0.00 0.00 4.34 -0.00 -2.01 -3.29 114.38 115.95 1tot h ARG 4 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.66 1tot h ARG 4 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 1tot h ARG 4 CO 0.48 0.00 -0.20 1.97 -0.00 0.00 0.00 179.97 182.21 1tot n PHE 5 N -4.13 0.00 -4.11 4.08 1.16 -1.26 -4.98 117.46 108.22 1tot n PHE 5 Ca 0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.45 1tot n PHE 5 Cb 0.25 0.06 -0.11 0.00 -1.61 0.00 0.00 39.48 38.06 1tot n PHE 5 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1tot s VAL 6 N 0.00 0.71 0.02 1.97 1.01 -1.24 -4.65 120.40 118.22 1tot s VAL 6 Ca 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 1tot s VAL 6 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1tot s VAL 6 CO 0.00 -0.44 0.04 -1.22 0.00 0.00 0.00 175.10 173.48 1tot n TYR 7 N 1.13 -0.78 -4.43 5.22 4.01 0.46 -0.36 117.16 122.40 1tot n TYR 7 Ca -0.20 -0.14 -0.21 0.00 -0.16 0.00 0.00 57.90 57.18 1tot n TYR 7 Cb 0.56 0.05 -0.10 0.00 -0.31 0.00 0.00 39.34 39.54 1tot n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1tot s THR 8 N -2.69 0.87 -0.28 -0.72 -4.23 -1.22 -0.82 115.64 106.55 1tot s THR 8 Ca 0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1tot s THR 8 Cb -0.00 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.26 1tot s THR 8 CO 0.01 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 174.02 1tot n ASN 10 N 4.46 0.00 -0.05 0.00 5.15 0.80 0.67 115.26 126.28 1tot n ASN 10 Ca -0.12 -0.37 -0.06 0.00 -0.60 0.00 0.00 54.58 53.43 1tot n ASN 10 Cb 0.42 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.53 1tot n ASN 10 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tot n GLU 11 N -0.97 0.66 0.01 1.20 -0.58 -1.25 -4.31 120.64 115.41 1tot n GLU 11 Ca 0.08 0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.96 1tot n GLU 11 Cb 0.04 -1.63 -0.11 0.00 -0.57 0.00 0.00 31.44 29.16 1tot n GLU 11 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tot n LYS 13 N -2.53 -3.33 -4.25 0.00 4.01 0.21 -4.97 118.16 107.30 1tot n LYS 13 Ca -0.08 0.39 -0.14 0.00 -0.51 0.00 0.00 58.31 57.98 1tot n LYS 13 Cb 0.68 -4.89 -0.10 0.00 -0.51 0.00 0.00 35.03 30.21 1tot n LYS 13 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1tot s HIS 14 N -3.55 1.25 0.59 2.13 2.46 -1.24 -4.98 115.29 111.94 1tot s HIS 14 Ca 0.46 -1.05 -0.17 0.00 0.47 0.00 0.00 55.06 54.77 1tot s HIS 14 Cb -0.25 -0.71 -0.04 0.00 -0.13 0.00 0.00 32.58 31.45 1tot s HIS 14 CO 0.91 -0.24 1.11 -1.58 -2.47 0.00 0.00 174.74 172.47 1tot s HIS 15 N -3.68 2.69 0.02 3.88 5.65 -1.26 -1.27 115.29 121.32 1tot s HIS 15 Ca 0.26 1.55 -0.09 0.00 0.25 0.00 0.00 55.06 57.02 1tot s HIS 15 Cb 0.06 -3.21 0.01 0.00 -1.18 0.00 0.00 32.58 28.26 1tot s HIS 15 CO 0.05 -1.54 0.19 0.14 -0.65 0.00 0.00 174.74 172.93 1tot s VAL 16 N -2.06 0.10 -0.11 0.89 -7.23 -0.00 -4.77 120.40 107.21 1tot s VAL 16 Ca 0.69 -0.79 0.15 0.00 -1.81 0.00 0.00 61.98 60.23 1tot s VAL 16 Cb -0.21 -0.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.91 1tot s VAL 16 CO 0.33 -0.43 1.08 1.05 -0.31 0.00 0.00 175.10 176.82 1tot h GLU 17 N 3.74 0.00 -4.52 4.82 9.09 -1.84 0.13 114.58 126.00 1tot h GLU 17 Ca -0.31 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.65 1tot h GLU 17 Cb 1.19 0.00 -0.32 0.00 -1.65 0.00 0.00 28.75 27.97 1tot h GLU 17 CO 0.45 0.43 -0.79 0.99 0.05 0.00 0.00 179.01 180.14 1tot s THR 18 N -2.91 0.84 0.19 -1.06 2.01 -1.26 -4.21 115.64 109.24 1tot s THR 18 Ca -0.00 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1tot s THR 18 Cb 0.08 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1tot s THR 18 CO 0.79 0.27 0.09 0.00 -0.69 0.00 0.00 174.62 175.08 1tot s ARG 19 N 0.40 1.16 -0.11 4.92 1.70 0.58 -4.34 118.95 123.26 1tot s ARG 19 Ca -0.07 -1.60 -0.03 0.00 -0.47 0.00 0.00 55.73 53.56 1tot s ARG 19 Cb -0.11 0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.31 1tot s ARG 19 CO 0.01 -0.30 0.02 -1.58 -1.08 0.00 0.00 175.30 172.37 1tot s TRP 20 N -3.97 3.19 -0.08 5.89 0.52 0.57 -1.17 118.94 123.89 1tot s TRP 20 Ca 0.33 0.14 -0.01 0.00 0.02 0.00 0.00 56.10 56.58 1tot s TRP 20 Cb 0.07 -1.86 0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1tot s TRP 20 CO 0.09 0.38 -0.02 -1.58 0.02 0.00 0.00 176.95 175.84 1tot s HIS 21 N -0.56 0.83 -0.04 -1.98 5.65 0.26 -0.49 115.29 118.96 1tot s HIS 21 Ca 0.10 -0.28 -0.30 0.00 0.25 0.00 0.00 55.06 54.83 1tot s HIS 21 Cb -0.12 -0.88 -0.05 0.00 -1.18 0.00 0.00 32.58 30.35 1tot s HIS 21 CO 0.02 -0.36 1.45 0.00 -0.65 0.00 0.00 174.74 175.21 1tot n THR 23 N 5.01 1.98 -0.06 0.00 -2.24 -1.11 -4.02 114.28 113.85 1tot n THR 23 Ca 0.14 -1.37 -0.07 0.00 -2.27 0.00 0.00 64.05 60.49 1tot n THR 23 Cb 0.43 0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1tot n THR 23 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1tot n VAL 24 N 0.57 1.27 -1.53 2.28 3.14 -1.26 -5.02 118.33 117.78 1tot n VAL 24 Ca 0.23 0.21 -0.29 0.00 -2.96 0.00 0.00 64.34 61.54 1tot n VAL 24 Cb 0.88 -2.12 0.15 0.00 -1.06 0.00 0.00 33.84 31.69 1tot n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tot s GLU 26 N -5.35 3.42 -0.88 0.00 2.02 -1.26 -4.39 118.70 112.25 1tot s GLU 26 Ca 0.66 -0.95 -0.08 0.00 0.02 0.00 0.00 54.97 54.61 1tot s GLU 26 Cb -0.13 -4.81 0.08 0.00 0.10 0.00 0.00 34.13 29.37 1tot s GLU 26 CO 0.54 -2.06 0.27 -3.47 0.02 0.00 0.00 175.26 170.55 1tot n ASP 27 N 8.45 -2.18 -4.77 -0.19 2.03 -1.26 -4.92 116.55 113.73 1tot n ASP 27 Ca 0.18 -0.17 -0.39 0.00 0.52 0.00 0.00 54.79 54.93 1tot n ASP 27 Cb 0.49 -1.90 -0.00 0.00 -0.72 0.00 0.00 41.12 38.99 1tot n ASP 27 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1tot s TYR 28 N -2.60 2.82 0.16 -0.67 6.14 -1.26 -1.53 117.35 120.42 1tot s TYR 28 Ca 0.30 1.46 0.03 0.00 0.64 0.00 0.00 57.07 59.51 1tot s TYR 28 Cb -0.17 -3.57 -0.05 0.00 0.42 0.00 0.00 41.96 38.60 1tot s TYR 28 CO 0.37 -1.90 -0.06 -0.51 0.64 0.00 0.00 175.55 174.10 1tot s ASP 29 N -0.98 1.57 -0.10 4.32 1.01 -1.26 -0.76 116.67 120.48 1tot s ASP 29 Ca 0.60 -1.08 -0.07 0.00 0.71 0.00 0.00 52.55 52.71 1tot s ASP 29 Cb -0.35 0.04 0.04 0.00 1.01 0.00 0.00 42.92 43.66 1tot s ASP 29 CO 0.44 -0.43 0.25 -0.76 0.21 0.00 0.00 175.17 174.87 1tot s LEU 30 N -3.17 0.66 1.15 1.23 1.43 0.35 -0.14 118.68 120.19 1tot s LEU 30 Ca 0.19 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 1tot s LEU 30 Cb 0.04 0.79 0.27 0.00 0.03 0.00 0.00 46.19 47.32 1tot s LEU 30 CO 0.02 -0.13 1.04 0.00 0.23 0.00 0.00 176.35 177.50 1tot h ILE 32 N -2.51 0.89 -0.52 0.00 1.08 -1.96 0.15 117.51 114.65 1tot h ILE 32 Ca -0.59 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1tot h ILE 32 Cb 1.34 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 1tot h ILE 32 CO 0.51 0.02 0.23 -1.13 -0.69 0.00 0.00 178.15 177.09 1tot h ASN 33 N 0.10 0.69 -0.36 1.72 -1.24 -1.97 -0.93 115.58 113.59 1tot h ASN 33 Ca 0.09 -0.15 -0.08 0.00 0.71 0.00 0.00 56.30 56.88 1tot h ASN 33 Cb 0.10 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1tot h ASN 33 CO -0.13 0.65 -0.07 0.00 -1.29 0.00 0.00 177.43 176.59 1tot h TYR 35 N 0.49 0.79 0.00 0.00 3.20 -0.72 0.27 116.97 120.99 1tot h TYR 35 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1tot h TYR 35 Cb 0.57 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1tot h TYR 35 CO 0.05 0.39 0.00 0.09 -1.64 0.00 0.00 178.16 177.05 1tot n ASN 36 N -4.72 0.22 0.00 -2.11 3.02 -0.38 -3.60 115.26 107.69 1tot n ASN 36 Ca 0.10 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1tot n ASN 36 Cb 0.17 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1tot n ASN 36 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1tot n THR 37 N -1.77 0.00 0.86 3.41 -2.24 -0.69 -4.80 114.28 109.06 1tot n THR 37 Ca 0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1tot n THR 37 Cb 0.10 -0.65 0.39 0.00 -2.10 0.00 0.00 70.33 68.06 1tot n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tot n LYS 38 N -2.40 0.43 -4.32 -0.78 4.76 0.85 -4.89 118.16 111.81 1tot n LYS 38 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 1tot n LYS 38 Cb 0.27 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1tot n LYS 38 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1tot n SER 39 N -0.98 0.23 -4.59 4.39 7.64 -1.24 -4.85 113.62 114.22 1tot n SER 39 Ca 0.10 -1.24 -0.42 0.00 1.01 0.00 0.00 58.87 58.32 1tot n SER 39 Cb 0.05 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 61.67 1tot n SER 39 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1tot s HIS 40 N -4.05 1.79 -2.53 1.43 2.46 -1.26 -4.85 115.29 108.29 1tot s HIS 40 Ca 0.21 0.66 0.28 0.00 0.47 0.00 0.00 55.06 56.68 1tot s HIS 40 Cb -0.12 -4.12 0.98 0.00 -0.13 0.00 0.00 32.58 29.19 1tot s HIS 40 CO 0.98 -2.83 1.71 2.41 -2.47 0.00 0.00 174.74 174.53 1tot n THR 41 N 7.39 0.00 -1.96 0.89 -1.04 -1.26 -4.98 114.28 113.32 1tot n THR 41 Ca 0.23 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.68 1tot n THR 41 Cb 0.48 0.57 0.11 0.00 -1.82 0.00 0.00 70.33 69.67 1tot n THR 41 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tot s HIS 42 N -2.01 2.65 -1.09 -1.42 3.76 -1.26 -4.95 115.29 110.97 1tot s HIS 42 Ca 0.37 0.61 -0.22 0.00 -0.15 0.00 0.00 55.06 55.67 1tot s HIS 42 Cb 0.21 -3.58 0.01 0.00 1.11 0.00 0.00 32.58 30.33 1tot s HIS 42 CO 0.34 -1.90 1.72 0.21 -0.85 0.00 0.00 174.74 174.25 1tot s LYS 43 N -5.59 3.28 0.18 1.40 2.20 -1.26 -4.93 119.74 115.02 1tot s LYS 43 Ca 0.64 -1.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1tot s LYS 43 Cb -0.09 -5.32 0.04 0.00 -1.51 0.00 0.00 37.83 30.95 1tot s LYS 43 CO 0.49 -2.78 0.25 -1.33 -0.36 0.00 0.00 175.35 171.61 1tot n MET 44 N 8.65 -0.14 -4.28 4.03 2.81 -1.26 -2.73 117.12 124.20 1tot n MET 44 Ca 0.41 -0.41 -0.17 0.00 -1.81 0.00 0.00 57.70 55.71 1tot n MET 44 Cb 0.48 -0.24 -0.09 0.00 -0.71 0.00 0.00 33.22 32.66 1tot n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1tot s VAL 45 N -1.38 0.12 -0.12 2.03 -7.23 0.54 -4.76 120.40 109.61 1tot s VAL 45 Ca 0.14 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.21 1tot s VAL 45 Cb -0.00 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1tot s VAL 45 CO 0.10 0.00 0.30 -0.75 -0.31 0.00 0.00 175.10 174.44 1tot s LYS 46 N -3.79 0.34 0.24 4.82 2.36 -1.26 -0.57 119.74 121.88 1tot s LYS 46 Ca 0.38 0.45 -0.12 0.00 -2.55 0.00 0.00 55.97 54.13 1tot s LYS 46 Cb 0.05 0.14 -0.01 0.00 -1.05 0.00 0.00 37.83 36.96 1tot s LYS 46 CO 0.19 -0.06 0.45 -1.58 1.55 0.00 0.00 175.35 175.91 1tot s TRP 47 N 0.32 0.42 0.00 4.03 0.52 -0.32 -5.00 118.94 118.91 1tot s TRP 47 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 56.10 55.34 1tot s TRP 47 Cb -0.03 0.14 0.00 0.00 -1.15 0.00 0.00 33.47 32.42 1tot s TRP 47 CO -0.01 -0.97 0.00 0.41 0.02 0.00 0.00 176.95 176.40 1tot n GLY 48 N -0.37 -0.69 1.70 0.98 0.00 -1.26 -0.31 105.19 105.24 1tot n GLY 48 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1tot n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tot n LEU 49 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.67 117.00 116.83 1tot n LEU 49 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1tot n LEU 49 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1tot n LEU 49 CO 0.00 0.00 -0.45 0.61 -1.33 0.00 0.00 177.39 176.22 1tot n GLY 50 N -2.68 0.00 2.65 -0.72 0.00 -1.26 -4.84 105.19 98.34 1tot n GLY 50 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1tot n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tot n LEU 51 N -2.75 2.26 0.00 0.99 4.77 -1.26 -5.08 117.00 115.93 1tot n LEU 51 Ca 0.00 -3.53 0.04 0.00 -0.03 0.00 0.00 56.01 52.49 1tot n LEU 51 Cb 0.45 0.29 0.23 0.00 -2.33 0.00 0.00 43.42 42.07 1tot n LEU 51 CO 0.00 1.36 0.46 -0.67 -1.33 0.00 0.00 177.39 177.21