#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 1.06 0.00 1.61 0.00 -1.26 -3.27 119.66 117.80 1tot s GLN 2 Ca 0.00 -1.06 0.00 0.00 -0.00 0.00 0.00 55.36 54.30 1tot s GLN 2 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 33.01 33.39 1tot s GLN 2 CO 0.00 -0.38 0.00 -3.47 0.00 0.00 0.00 175.29 171.44 1tot n ASP 3 N -0.17 0.00 -0.21 12.60 2.03 0.46 -4.85 116.55 126.40 1tot n ASP 3 Ca -0.10 -0.28 -0.08 0.00 0.52 0.00 0.00 54.79 54.85 1tot n ASP 3 Cb 0.63 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.09 1tot n ASP 3 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1tot h ARG 4 N 0.00 1.06 0.00 -0.67 -0.00 -2.03 -3.39 114.38 109.36 1tot h ARG 4 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 1tot h ARG 4 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 29.85 1tot h ARG 4 CO 0.00 1.00 -0.08 1.97 0.00 0.00 0.00 179.97 182.86 1tot n PHE 5 N -4.20 0.00 -4.30 3.04 1.16 -1.26 -5.11 117.46 106.78 1tot n PHE 5 Ca 0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.43 1tot n PHE 5 Cb 0.31 0.20 -0.11 0.00 -1.61 0.00 0.00 39.48 38.27 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 1.58 0.14 1.97 1.01 -1.26 -4.65 120.40 119.20 1tot s VAL 6 Ca 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 61.98 59.98 1tot s VAL 6 Cb 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1tot s VAL 6 CO 0.00 -0.48 0.25 -1.22 0.00 0.00 0.00 175.10 173.65 1tot n TYR 7 N 0.10 -1.20 -4.50 5.22 4.01 0.10 -0.40 117.16 120.48 1tot n TYR 7 Ca -0.12 -0.80 -0.24 0.00 -0.16 0.00 0.00 57.90 56.59 1tot n TYR 7 Cb 0.58 0.29 -0.11 0.00 -0.31 0.00 0.00 39.34 39.79 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 -2.62 1.49 -0.36 -0.72 -4.23 -1.20 -0.93 115.64 107.06 1tot s THR 8 Ca 0.08 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1tot s THR 8 Cb -0.01 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.07 1tot s THR 8 CO 0.06 -0.02 0.10 0.00 -0.54 0.00 0.00 174.62 174.23 1tot n ASN 10 N 4.54 0.00 -0.01 0.00 2.04 0.24 0.87 115.26 122.94 1tot n ASN 10 Ca -0.05 -0.75 -0.01 0.00 -0.44 0.00 0.00 54.58 53.33 1tot n ASN 10 Cb 0.42 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.56 1tot n ASN 10 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1tot n GLU 11 N -0.75 0.64 0.01 -3.83 -0.58 -1.24 -4.13 120.64 110.76 1tot n GLU 11 Ca 0.06 0.13 0.05 0.00 -0.42 0.00 0.00 57.16 56.98 1tot n GLU 11 Cb 0.03 -1.71 -0.11 0.00 -0.57 0.00 0.00 31.44 29.07 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 -2.57 -4.85 -4.18 0.00 4.01 0.25 -4.97 118.16 105.84 1tot n LYS 13 Ca -0.09 0.55 -0.11 0.00 -0.51 0.00 0.00 58.31 58.15 1tot n LYS 13 Cb 0.73 -5.27 -0.10 0.00 -0.51 0.00 0.00 35.03 29.87 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 -3.44 0.95 0.37 2.13 2.46 -1.20 -4.97 115.29 111.59 1tot s HIS 14 Ca 0.48 -0.93 -0.25 0.00 0.47 0.00 0.00 55.06 54.83 1tot s HIS 14 Cb -0.24 -0.54 -0.09 0.00 -0.13 0.00 0.00 32.58 31.57 1tot s HIS 14 CO 0.85 -0.15 1.03 -1.01 -2.47 0.00 0.00 174.74 172.99 1tot s HIS 15 N -3.62 3.38 0.10 3.88 3.76 -1.26 -1.08 115.29 120.44 1tot s HIS 15 Ca 0.14 1.67 -0.02 0.00 -0.15 0.00 0.00 55.06 56.71 1tot s HIS 15 Cb 0.05 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 1tot s HIS 15 CO -0.03 -0.44 0.04 0.14 -0.85 0.00 0.00 174.74 173.59 1tot s VAL 16 N -1.62 0.15 -0.07 -0.90 -7.23 -0.11 -4.85 120.40 105.77 1tot s VAL 16 Ca 0.55 -1.81 0.21 0.00 -1.81 0.00 0.00 61.98 59.13 1tot s VAL 16 Cb -0.22 -1.78 -0.32 0.00 0.56 0.00 0.00 36.38 34.62 1tot s VAL 16 CO 0.28 -0.69 0.48 -1.84 -0.31 0.00 0.00 175.10 173.01 1tot n GLU 17 N -0.01 0.62 -4.07 4.82 -0.00 -1.26 -0.72 120.64 120.01 1tot n GLU 17 Ca -0.10 -0.18 -0.17 0.00 -0.00 0.00 0.00 57.16 56.71 1tot n GLU 17 Cb 0.62 -1.50 -0.15 0.00 -0.00 0.00 0.00 31.44 30.41 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 -3.44 0.34 0.22 3.84 2.01 -1.26 -3.56 115.64 113.78 1tot s THR 18 Ca -0.07 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1tot s THR 18 Cb 0.14 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1tot s THR 18 CO 0.88 0.14 0.22 0.00 -0.69 0.00 0.00 174.62 175.17 1tot s ARG 19 N 0.47 1.30 -0.04 4.92 1.70 -0.34 -4.52 118.95 122.44 1tot s ARG 19 Ca -0.05 -1.55 -0.00 0.00 -0.47 0.00 0.00 55.73 53.65 1tot s ARG 19 Cb -0.08 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1tot s ARG 19 CO -0.01 -0.46 0.02 -1.58 -1.08 0.00 0.00 175.30 172.19 1tot s TRP 20 N -4.10 3.16 -0.05 5.89 0.52 0.58 -1.72 118.94 123.22 1tot s TRP 20 Ca 0.35 0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.62 1tot s TRP 20 Cb 0.05 -1.74 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1tot s TRP 20 CO 0.12 0.49 0.02 -1.58 0.02 0.00 0.00 176.95 176.01 1tot s HIS 21 N -1.02 0.43 -0.08 -1.98 5.65 -0.17 -0.69 115.29 117.42 1tot s HIS 21 Ca 0.17 -0.01 -0.30 0.00 0.25 0.00 0.00 55.06 55.18 1tot s HIS 21 Cb -0.12 -0.64 -0.05 0.00 -1.18 0.00 0.00 32.58 30.59 1tot s HIS 21 CO 0.07 -0.25 1.66 0.00 -0.65 0.00 0.00 174.74 175.57 1tot n THR 23 N 5.68 1.73 -0.05 0.00 -2.24 -0.27 -3.94 114.28 115.20 1tot n THR 23 Ca 0.18 -1.13 -0.05 0.00 -2.27 0.00 0.00 64.05 60.78 1tot n THR 23 Cb 0.43 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.12 0.81 -1.48 2.28 3.14 -1.23 -5.00 118.33 117.98 1tot n VAL 24 Ca 0.25 0.31 -0.30 0.00 -2.96 0.00 0.00 64.34 61.64 1tot n VAL 24 Cb 0.86 -1.96 0.19 0.00 -1.06 0.00 0.00 33.84 31.87 1tot n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tot n GLU 26 N -4.17 3.04 -2.91 0.00 2.13 -1.26 -4.40 120.64 113.07 1tot n GLU 26 Ca 0.12 -2.98 -0.19 0.00 0.66 0.00 0.00 57.16 54.78 1tot n GLU 26 Cb 0.59 -3.41 0.00 0.00 0.27 0.00 0.00 31.44 28.90 1tot n GLU 26 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1tot n ASP 27 N 7.37 -4.27 -4.77 4.31 2.03 -1.25 -4.90 116.55 115.07 1tot n ASP 27 Ca 0.50 -0.13 -0.41 0.00 0.52 0.00 0.00 54.79 55.27 1tot n ASP 27 Cb 0.43 -3.55 -0.01 0.00 -0.72 0.00 0.00 41.12 37.26 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 -2.85 2.84 0.22 -0.67 6.14 -1.26 -2.23 117.35 119.53 1tot s TYR 28 Ca 0.21 1.17 0.09 0.00 0.64 0.00 0.00 57.07 59.18 1tot s TYR 28 Cb -0.11 -3.88 -0.05 0.00 0.42 0.00 0.00 41.96 38.34 1tot s TYR 28 CO 0.26 -2.65 -0.16 -0.51 0.64 0.00 0.00 175.55 173.13 1tot s ASP 29 N -0.07 2.80 -0.08 4.32 1.01 -1.26 -0.76 116.67 122.63 1tot s ASP 29 Ca 0.54 -1.01 -0.06 0.00 0.71 0.00 0.00 52.55 52.73 1tot s ASP 29 Cb -0.44 -0.17 0.03 0.00 1.01 0.00 0.00 42.92 43.35 1tot s ASP 29 CO 0.54 -0.12 0.21 -0.76 0.21 0.00 0.00 175.17 175.25 1tot s LEU 30 N -3.31 1.01 1.02 1.23 1.43 0.13 -0.59 118.68 119.60 1tot s LEU 30 Ca 0.24 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.64 1tot s LEU 30 Cb -0.02 0.67 0.20 0.00 0.03 0.00 0.00 46.19 47.07 1tot s LEU 30 CO 0.09 -0.10 1.08 0.00 0.23 0.00 0.00 176.35 177.64 1tot h ILE 32 N -2.02 0.82 -0.36 0.00 1.08 -1.93 0.31 117.51 115.40 1tot h ILE 32 Ca -0.55 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 63.60 1tot h ILE 32 Cb 1.32 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 1tot h ILE 32 CO 0.54 0.14 -0.01 -1.13 -0.69 0.00 0.00 178.15 176.99 1tot h ASN 33 N 0.75 0.64 -0.15 1.72 -1.24 -1.98 -1.50 115.58 113.82 1tot h ASN 33 Ca 0.45 -0.32 -0.20 0.00 0.71 0.00 0.00 56.30 56.95 1tot h ASN 33 Cb 0.55 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1tot h ASN 33 CO -0.31 0.80 -0.67 0.00 -1.29 0.00 0.00 177.43 175.97 1tot h TYR 35 N 0.56 0.66 0.61 0.00 3.20 -0.94 0.33 116.97 121.39 1tot h TYR 35 Ca -0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1tot h TYR 35 Cb 1.28 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 39.35 1tot h TYR 35 CO 0.07 0.31 -0.29 -0.91 -1.64 0.00 0.00 178.16 175.70 1tot h ASN 36 N 0.67 -0.69 0.29 -2.11 2.35 -1.05 -2.99 115.58 112.05 1tot h ASN 36 Ca 0.30 0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.73 1tot h ASN 36 Cb 0.20 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1tot h ASN 36 CO -0.19 -0.48 -1.88 0.35 -1.65 0.00 0.00 177.43 173.59 1tot n THR 37 N -5.43 1.69 1.37 2.81 -2.24 0.08 -3.90 114.28 108.66 1tot n THR 37 Ca -0.13 -0.73 0.15 0.00 -2.27 0.00 0.00 64.05 61.07 1tot n THR 37 Cb 0.34 -1.38 0.70 0.00 -2.10 0.00 0.00 70.33 67.88 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 -3.26 0.44 -3.66 -0.78 4.76 0.11 -4.93 118.16 110.84 1tot n LYS 38 Ca -0.25 -0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 54.84 1tot n LYS 38 Cb 1.05 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.68 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 -1.23 -1.10 -4.55 4.39 7.64 -1.13 -4.80 113.62 112.83 1tot n SER 39 Ca 0.13 -0.88 -0.29 0.00 1.01 0.00 0.00 58.87 58.85 1tot n SER 39 Cb 0.26 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 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 -2.71 1.35 -1.99 1.43 2.46 -1.26 -4.83 115.29 109.73 1tot s HIS 40 Ca 0.54 1.35 0.00 0.00 0.47 0.00 0.00 55.06 57.41 1tot s HIS 40 Cb -0.31 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.40 1tot s HIS 40 CO 0.72 -2.07 0.81 2.41 -2.47 0.00 0.00 174.74 174.14 1tot n THR 41 N 8.02 0.00 -1.71 0.89 -1.04 -1.26 -4.96 114.28 114.22 1tot n THR 41 Ca 0.37 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.08 1tot n THR 41 Cb 0.50 -0.10 0.15 0.00 -1.82 0.00 0.00 70.33 69.06 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 -1.99 2.12 -0.59 -1.42 3.76 -1.26 -4.93 115.29 110.98 1tot s HIS 42 Ca 0.00 0.61 -0.27 0.00 -0.15 0.00 0.00 55.06 55.26 1tot s HIS 42 Cb 0.00 -3.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.00 1tot s HIS 42 CO 0.00 -2.46 1.92 0.21 -0.85 0.00 0.00 174.74 173.56 1tot s LYS 43 N -5.57 2.59 0.54 1.40 2.36 -1.26 -4.93 119.74 114.87 1tot s LYS 43 Ca 0.67 0.74 0.05 0.00 -2.55 0.00 0.00 55.97 54.88 1tot s LYS 43 Cb -0.10 -4.40 0.03 0.00 -1.05 0.00 0.00 37.83 32.31 1tot s LYS 43 CO 0.52 -2.76 0.35 -1.64 1.55 0.00 0.00 175.35 173.38 1tot s MET 44 N 7.13 2.25 0.36 4.03 -1.94 -1.26 -1.12 119.30 128.75 1tot s MET 44 Ca 0.71 -2.07 0.03 0.00 -1.71 0.00 0.00 55.69 52.66 1tot s MET 44 Cb -0.14 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 1tot s MET 44 CO 0.22 -0.59 0.11 0.14 -0.01 0.00 0.00 175.02 174.89 1tot s VAL 45 N -2.78 0.76 -0.07 -6.03 -7.23 0.37 -4.81 120.40 100.61 1tot s VAL 45 Ca 0.30 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1tot s VAL 45 Cb -0.02 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.42 1tot s VAL 45 CO 0.19 0.00 0.17 -0.75 -0.31 0.00 0.00 175.10 174.39 1tot s LYS 46 N -3.81 0.15 -0.16 4.82 2.36 -1.26 -1.00 119.74 120.83 1tot s LYS 46 Ca 0.30 0.33 -0.01 0.00 -2.55 0.00 0.00 55.97 54.04 1tot s LYS 46 Cb 0.05 -0.05 0.05 0.00 -1.05 0.00 0.00 37.83 36.82 1tot s LYS 46 CO 0.15 -0.10 -0.03 -1.58 1.55 0.00 0.00 175.35 175.34 1tot s TRP 47 N 0.71 1.47 0.01 4.03 0.52 -0.70 -5.01 118.94 119.96 1tot s TRP 47 Ca -0.05 -0.96 0.04 0.00 0.02 0.00 0.00 56.10 55.14 1tot s TRP 47 Cb -0.07 -1.20 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 1tot s TRP 47 CO -0.04 -0.59 -0.11 0.20 0.02 0.00 0.00 176.95 176.43 1tot s GLY 48 N 1.71 0.57 0.00 0.98 0.00 -1.26 -1.20 107.32 108.12 1tot s GLY 48 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1tot s GLY 48 CO -0.07 -0.49 0.39 1.04 0.00 0.00 0.00 173.10 173.96 1tot n LEU 49 N 2.54 0.00 0.05 0.66 4.77 -1.23 -4.97 117.00 118.83 1tot n LEU 49 Ca -0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1tot n LEU 49 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1tot n LEU 49 CO 0.24 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1tot n GLY 50 N 0.00 -1.84 2.61 -0.72 0.00 -1.26 -4.97 105.19 99.01 1tot n GLY 50 Ca 0.00 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.66 7.55 0.00 0.99 4.32 -1.26 -5.10 117.00 120.84 1tot n LEU 51 Ca 0.00 -5.12 0.05 0.00 -0.02 0.00 0.00 56.01 50.92 1tot n LEU 51 Cb 0.00 -1.28 0.31 0.00 -1.62 0.00 0.00 43.42 40.83 1tot n LEU 51 CO 0.00 1.99 0.53 -0.67 -1.22 0.00 0.00 177.39 178.02