#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 0.90 0.22 1.61 -2.07 -1.26 -3.04 119.66 116.01 1tot s GLN 2 Ca 0.00 -0.62 -0.08 0.00 -1.82 0.00 0.00 55.36 52.85 1tot s GLN 2 Cb 0.00 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1tot s GLN 2 CO 0.00 -0.31 0.31 0.34 -1.32 0.00 0.00 175.29 174.31 1tot s ASP 3 N -2.40 0.03 0.59 12.60 2.15 0.38 -4.91 116.67 125.12 1tot s ASP 3 Ca -0.01 -1.10 0.36 0.00 0.43 0.00 0.00 52.55 52.23 1tot s ASP 3 Cb 0.01 0.48 1.83 0.00 -0.30 0.00 0.00 42.92 44.94 1tot s ASP 3 CO -0.07 -0.98 2.17 0.08 -0.17 0.00 0.00 175.17 176.20 1tot h ARG 4 N 2.45 0.00 0.00 4.34 -0.00 -2.03 -3.31 114.38 115.83 1tot h ARG 4 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 1tot h ARG 4 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 1tot h ARG 4 CO 0.44 0.03 0.00 1.97 -0.00 0.00 0.00 179.97 182.42 1tot n PHE 5 N -3.28 0.00 -4.28 4.08 1.16 -1.26 -5.11 117.46 108.77 1tot n PHE 5 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.39 1tot n PHE 5 Cb 0.19 0.04 -0.10 0.00 -1.61 0.00 0.00 39.48 37.99 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 1.44 0.26 1.97 1.01 -1.25 -4.64 120.40 119.19 1tot s VAL 6 Ca 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 61.98 59.89 1tot s VAL 6 Cb 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.58 1tot s VAL 6 CO 0.00 -0.59 0.46 -1.22 0.00 0.00 0.00 175.10 173.75 1tot n TYR 7 N -0.05 -1.64 -4.58 5.22 4.01 0.60 -0.47 117.16 120.25 1tot n TYR 7 Ca -0.11 -1.41 -0.27 0.00 -0.16 0.00 0.00 57.90 55.96 1tot n TYR 7 Cb 0.59 0.54 -0.10 0.00 -0.31 0.00 0.00 39.34 40.06 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 -2.51 1.66 -0.29 -0.72 -4.23 -1.17 -0.38 115.64 108.01 1tot s THR 8 Ca 0.14 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1tot s THR 8 Cb -0.02 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 71.02 1tot s THR 8 CO 0.11 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.16 1tot n ASN 10 N 4.57 0.00 -0.03 0.00 5.15 0.64 0.66 115.26 126.25 1tot n ASN 10 Ca -0.13 -0.43 -0.00 0.00 -0.60 0.00 0.00 54.58 53.41 1tot n ASN 10 Cb 0.43 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.54 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 -4.33 120.64 115.37 1tot n GLU 11 Ca 0.09 -0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.94 1tot n GLU 11 Cb 0.04 -1.61 -0.13 0.00 -0.57 0.00 0.00 31.44 29.17 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 -2.37 -2.74 -4.10 0.00 4.01 0.21 -4.96 118.16 108.20 1tot n LYS 13 Ca -0.04 0.33 -0.08 0.00 -0.51 0.00 0.00 58.31 58.01 1tot n LYS 13 Cb 0.59 -4.50 -0.10 0.00 -0.51 0.00 0.00 35.03 30.51 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 -3.85 0.58 0.38 2.13 2.46 -1.24 -4.98 115.29 110.78 1tot s HIS 14 Ca 0.22 -1.07 -0.25 0.00 0.47 0.00 0.00 55.06 54.43 1tot s HIS 14 Cb -0.12 -0.41 -0.09 0.00 -0.13 0.00 0.00 32.58 31.83 1tot s HIS 14 CO 0.92 -0.37 1.03 -1.01 -2.47 0.00 0.00 174.74 172.84 1tot s HIS 15 N -3.91 3.35 0.07 3.88 3.76 -1.26 -1.18 115.29 120.01 1tot s HIS 15 Ca 0.09 1.67 -0.04 0.00 -0.15 0.00 0.00 55.06 56.63 1tot s HIS 15 Cb 0.08 -3.10 -0.03 0.00 1.11 0.00 0.00 32.58 30.64 1tot s HIS 15 CO -0.09 -0.48 0.06 0.14 -0.85 0.00 0.00 174.74 173.53 1tot s VAL 16 N -1.64 0.18 -0.09 -0.90 -7.23 0.49 -4.86 120.40 106.35 1tot s VAL 16 Ca 0.56 -1.58 0.22 0.00 -1.81 0.00 0.00 61.98 59.37 1tot s VAL 16 Cb -0.22 -1.50 -0.27 0.00 0.56 0.00 0.00 36.38 34.95 1tot s VAL 16 CO 0.27 -0.82 0.61 -1.84 -0.31 0.00 0.00 175.10 173.01 1tot n GLU 17 N 0.03 0.64 -4.05 4.82 -0.00 -1.26 -0.30 120.64 120.51 1tot n GLU 17 Ca -0.14 -0.13 -0.18 0.00 -0.00 0.00 0.00 57.16 56.72 1tot n GLU 17 Cb 0.62 -1.58 -0.16 0.00 -0.00 0.00 0.00 31.44 30.32 1tot n GLU 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1tot s THR 18 N -3.48 0.33 0.18 3.84 2.01 -1.26 -3.23 115.64 114.04 1tot s THR 18 Ca -0.06 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1tot s THR 18 Cb 0.13 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1tot s THR 18 CO 0.88 0.16 0.22 0.00 -0.69 0.00 0.00 174.62 175.19 1tot s ARG 19 N 0.73 1.20 -0.07 4.92 1.70 -0.10 -4.48 118.95 122.85 1tot s ARG 19 Ca -0.08 -1.40 -0.03 0.00 -0.47 0.00 0.00 55.73 53.74 1tot s ARG 19 Cb -0.11 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1tot s ARG 19 CO -0.01 -0.42 0.08 -1.58 -1.08 0.00 0.00 175.30 172.29 1tot s TRP 20 N -4.06 3.36 -0.04 5.89 0.52 0.50 -1.62 118.94 123.48 1tot s TRP 20 Ca 0.27 0.32 -0.01 0.00 0.02 0.00 0.00 56.10 56.70 1tot s TRP 20 Cb 0.05 -1.83 0.03 0.00 -1.15 0.00 0.00 33.47 30.57 1tot s TRP 20 CO 0.06 0.59 0.03 -1.58 0.02 0.00 0.00 176.95 176.07 1tot s HIS 21 N -1.03 0.26 -0.10 -1.98 5.65 -0.16 -0.62 115.29 117.32 1tot s HIS 21 Ca 0.17 0.09 -0.30 0.00 0.25 0.00 0.00 55.06 55.28 1tot s HIS 21 Cb -0.12 -0.53 -0.03 0.00 -1.18 0.00 0.00 32.58 30.72 1tot s HIS 21 CO 0.06 -0.20 1.41 0.00 -0.65 0.00 0.00 174.74 175.36 1tot n THR 23 N 5.25 1.83 -0.06 0.00 -2.24 -0.94 -4.01 114.28 114.11 1tot n THR 23 Ca 0.15 -1.21 -0.07 0.00 -2.27 0.00 0.00 64.05 60.65 1tot n THR 23 Cb 0.44 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.11 1.31 -1.47 2.28 3.14 -1.26 -5.02 118.33 118.42 1tot n VAL 24 Ca 0.26 0.20 -0.29 0.00 -2.96 0.00 0.00 64.34 61.55 1tot n VAL 24 Cb 0.89 -2.16 0.17 0.00 -1.06 0.00 0.00 33.84 31.67 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 -5.38 3.52 -1.07 0.00 2.02 -1.26 -4.38 118.70 112.14 1tot s GLU 26 Ca 0.67 -1.10 -0.10 0.00 0.02 0.00 0.00 54.97 54.46 1tot s GLU 26 Cb -0.12 -5.34 0.09 0.00 0.10 0.00 0.00 34.13 28.86 1tot s GLU 26 CO 0.54 -2.32 0.36 -3.47 0.02 0.00 0.00 175.26 170.39 1tot n ASP 27 N 9.34 -2.47 -4.77 -0.19 2.03 -1.26 -4.88 116.55 114.35 1tot n ASP 27 Ca 0.35 -0.34 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1tot n ASP 27 Cb 0.50 -2.12 -0.01 0.00 -0.72 0.00 0.00 41.12 38.77 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 -2.74 2.99 0.18 -0.67 6.14 -1.26 -0.98 117.35 121.02 1tot s TYR 28 Ca 0.39 1.53 0.03 0.00 0.64 0.00 0.00 57.07 59.66 1tot s TYR 28 Cb -0.22 -3.44 -0.05 0.00 0.42 0.00 0.00 41.96 38.68 1tot s TYR 28 CO 0.47 -1.49 -0.04 -0.51 0.64 0.00 0.00 175.55 174.62 1tot s ASP 29 N -1.11 1.67 -0.14 4.32 1.01 -1.26 -0.74 116.67 120.42 1tot s ASP 29 Ca 0.58 -1.12 -0.08 0.00 0.71 0.00 0.00 52.55 52.64 1tot s ASP 29 Cb -0.32 0.03 0.05 0.00 1.01 0.00 0.00 42.92 43.69 1tot s ASP 29 CO 0.40 -0.45 0.34 -0.76 0.21 0.00 0.00 175.17 174.91 1tot s LEU 30 N -3.22 0.19 1.03 1.23 1.43 0.21 -0.26 118.68 119.29 1tot s LEU 30 Ca 0.23 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 1tot s LEU 30 Cb 0.05 1.11 0.21 0.00 0.03 0.00 0.00 46.19 47.58 1tot s LEU 30 CO 0.04 -0.17 1.07 0.00 0.23 0.00 0.00 176.35 177.52 1tot h ILE 32 N -2.09 0.79 -0.49 0.00 1.08 -1.94 0.15 117.51 115.02 1tot h ILE 32 Ca -0.55 -0.10 -0.05 0.00 -0.39 0.00 0.00 64.86 63.77 1tot h ILE 32 Cb 1.32 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1tot h ILE 32 CO 0.53 0.05 0.12 -1.13 -0.69 0.00 0.00 178.15 177.03 1tot h ASN 33 N 0.29 0.75 -0.34 1.72 -1.24 -1.97 -0.52 115.58 114.28 1tot h ASN 33 Ca 0.23 -0.23 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 1tot h ASN 33 Cb 0.27 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.12 1tot h ASN 33 CO -0.27 0.79 -0.46 0.00 -1.29 0.00 0.00 177.43 176.20 1tot h TYR 35 N 0.72 0.02 0.00 0.00 3.20 -0.59 0.40 116.97 120.73 1tot h TYR 35 Ca 0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1tot h TYR 35 Cb 1.07 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1tot h TYR 35 CO 0.07 -0.01 0.00 0.09 -1.64 0.00 0.00 178.16 176.67 1tot n ASN 36 N -5.12 0.59 0.00 -2.11 3.02 -0.21 -1.90 115.26 109.53 1tot n ASN 36 Ca -0.02 0.74 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 1tot n ASN 36 Cb 0.11 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 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 -2.25 0.00 0.50 3.41 -2.24 -0.51 -4.72 114.28 108.47 1tot n THR 37 Ca -0.00 -0.22 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1tot n THR 37 Cb 0.09 0.73 0.07 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.93 1.11 -3.65 -0.78 4.01 0.14 -5.02 118.16 113.03 1tot n LYS 38 Ca 0.00 -1.41 -0.20 0.00 -0.51 0.00 0.00 58.31 56.19 1tot n LYS 38 Cb 0.00 -1.27 -0.04 0.00 -0.51 0.00 0.00 35.03 33.21 1tot n LYS 38 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1tot n SER 39 N 0.78 -0.15 -4.65 4.39 7.64 -0.80 -4.83 113.62 116.00 1tot n SER 39 Ca 0.09 -0.75 -0.42 0.00 1.01 0.00 0.00 58.87 58.80 1tot n SER 39 Cb 0.36 -0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 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 -3.89 1.57 -2.90 1.43 2.46 -1.26 -4.87 115.29 107.82 1tot s HIS 40 Ca 0.07 -0.03 0.24 0.00 0.47 0.00 0.00 55.06 55.81 1tot s HIS 40 Cb -0.04 -4.08 0.30 0.00 -0.13 0.00 0.00 32.58 28.63 1tot s HIS 40 CO 0.58 -4.59 1.32 2.41 -2.47 0.00 0.00 174.74 171.99 1tot n THR 41 N 5.90 0.04 -1.83 0.89 -1.04 -1.26 -5.01 114.28 111.97 1tot n THR 41 Ca 0.20 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 1tot n THR 41 Cb 0.43 1.35 0.11 0.00 -1.82 0.00 0.00 70.33 70.39 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 -1.96 2.74 -0.82 -1.42 3.76 -1.26 -4.92 115.29 111.42 1tot s HIS 42 Ca 0.30 0.73 -0.25 0.00 -0.15 0.00 0.00 55.06 55.69 1tot s HIS 42 Cb 0.20 -3.53 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 1tot s HIS 42 CO 0.30 -1.97 1.85 0.21 -0.85 0.00 0.00 174.74 174.28 1tot s LYS 43 N -5.55 2.69 0.38 1.40 2.20 -1.26 -4.93 119.74 114.67 1tot s LYS 43 Ca 0.63 -0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.11 1tot s LYS 43 Cb -0.11 -4.86 0.08 0.00 -1.51 0.00 0.00 37.83 31.43 1tot s LYS 43 CO 0.50 -3.04 0.52 -1.33 -0.36 0.00 0.00 175.35 171.64 1tot n MET 44 N 8.98 -0.11 -4.35 4.03 2.81 -1.26 -2.21 117.12 125.01 1tot n MET 44 Ca 0.32 -1.09 -0.20 0.00 -1.81 0.00 0.00 57.70 54.92 1tot n MET 44 Cb 0.49 -0.44 -0.09 0.00 -0.71 0.00 0.00 33.22 32.47 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 -1.74 0.28 -0.05 2.03 -7.23 0.45 -4.76 120.40 109.38 1tot s VAL 45 Ca 0.32 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 1tot s VAL 45 Cb -0.01 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1tot s VAL 45 CO 0.22 0.00 0.15 -0.75 -0.31 0.00 0.00 175.10 174.40 1tot s LYS 46 N -3.71 0.21 -0.05 4.82 2.36 -1.26 -0.99 119.74 121.13 1tot s LYS 46 Ca 0.35 0.14 0.02 0.00 -2.55 0.00 0.00 55.97 53.93 1tot s LYS 46 Cb 0.04 0.10 0.01 0.00 -1.05 0.00 0.00 37.83 36.93 1tot s LYS 46 CO 0.19 -0.03 -0.09 -1.58 1.55 0.00 0.00 175.35 175.40 1tot s TRP 47 N -0.08 1.09 -0.03 4.03 0.52 -0.64 -5.00 118.94 118.83 1tot s TRP 47 Ca -0.02 -0.35 -0.07 0.00 0.02 0.00 0.00 56.10 55.69 1tot s TRP 47 Cb -0.02 -0.84 0.01 0.00 -1.15 0.00 0.00 33.47 31.48 1tot s TRP 47 CO 0.00 -0.20 0.16 0.20 0.02 0.00 0.00 176.95 177.13 1tot s GLY 48 N 0.64 -0.05 0.00 0.98 0.00 -1.26 -0.92 107.32 106.70 1tot s GLY 48 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1tot s GLY 48 CO 0.02 0.10 0.00 -0.10 0.00 0.00 0.00 173.10 173.12 1tot n LEU 49 N 2.25 0.00 0.00 0.66 -0.00 -1.20 -4.98 117.00 113.74 1tot n LEU 49 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1tot n LEU 49 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1tot n LEU 49 CO 0.21 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.23 1tot n GLY 50 N 0.00 0.16 2.28 -3.96 0.00 -1.26 -5.00 105.19 97.41 1tot n GLY 50 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.22 1.17 0.00 0.99 4.77 -1.26 -5.11 117.00 116.34 1tot n LEU 51 Ca 0.00 -5.00 0.03 0.00 -0.03 0.00 0.00 56.01 51.01 1tot n LEU 51 Cb 0.00 0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.73 1tot n LEU 51 CO 0.00 2.20 0.41 -0.67 -1.33 0.00 0.00 177.39 178.00