#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 1.43 0.29 1.61 0.00 -1.26 -3.85 119.66 117.89 1tot s GLN 2 Ca 0.00 -0.74 -0.16 0.00 -0.00 0.00 0.00 55.36 54.46 1tot s GLN 2 Cb 0.00 0.57 0.02 0.00 0.00 0.00 0.00 33.01 33.59 1tot s GLN 2 CO 0.00 -0.63 0.64 0.34 0.00 0.00 0.00 175.29 175.64 1tot s ASP 3 N -2.84 -0.07 0.58 12.60 2.15 0.91 -4.85 116.67 125.16 1tot s ASP 3 Ca 0.06 -0.87 0.31 0.00 0.43 0.00 0.00 52.55 52.48 1tot s ASP 3 Cb -0.02 0.70 1.79 0.00 -0.30 0.00 0.00 42.92 45.09 1tot s ASP 3 CO -0.05 -1.34 2.22 0.08 -0.17 0.00 0.00 175.17 175.91 1tot h ARG 4 N 2.09 0.00 0.00 4.34 -0.00 -2.01 -3.32 114.38 115.48 1tot h ARG 4 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.74 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 0.31 0.03 -0.22 1.97 -0.00 0.00 0.00 179.97 182.06 1tot n PHE 5 N -3.69 0.00 -4.08 4.08 1.16 -1.26 -5.10 117.46 108.57 1tot n PHE 5 Ca -0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.43 1tot n PHE 5 Cb 0.12 0.07 -0.11 0.00 -1.61 0.00 0.00 39.48 37.95 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 0.54 0.00 1.97 1.01 -1.25 -4.51 120.40 118.17 1tot s VAL 6 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1tot s VAL 6 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1tot s VAL 6 CO 0.00 -0.50 0.00 -1.22 0.00 0.00 0.00 175.10 173.38 1tot n TYR 7 N 1.13 -0.79 -4.41 5.22 4.01 0.61 -0.06 117.16 122.86 1tot n TYR 7 Ca -0.20 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.33 1tot n TYR 7 Cb 0.56 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.49 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 -2.91 0.85 -0.29 -0.72 -4.23 -1.25 -1.11 115.64 105.98 1tot s THR 8 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1tot s THR 8 Cb 0.00 -2.66 0.07 0.00 1.34 0.00 0.00 72.50 71.25 1tot s THR 8 CO 0.00 0.00 -0.06 0.00 -0.54 0.00 0.00 174.62 174.02 1tot n ASN 10 N 4.38 0.00 -0.04 0.00 5.15 0.77 0.74 115.26 126.26 1tot n ASN 10 Ca -0.08 -0.23 -0.01 0.00 -0.60 0.00 0.00 54.58 53.66 1tot n ASN 10 Cb 0.42 -0.05 -0.14 0.00 -0.53 0.00 0.00 39.78 39.48 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 -1.05 0.66 -0.00 1.20 -0.58 -1.25 -4.30 120.64 115.32 1tot n GLU 11 Ca 0.07 -0.01 0.04 0.00 -0.42 0.00 0.00 57.16 56.84 1tot n GLU 11 Cb 0.04 -1.60 -0.12 0.00 -0.57 0.00 0.00 31.44 29.19 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 -3.82 -4.26 0.00 4.01 0.23 -4.98 118.16 106.77 1tot n LYS 13 Ca -0.11 0.45 -0.14 0.00 -0.51 0.00 0.00 58.31 58.00 1tot n LYS 13 Cb 0.75 -4.94 -0.10 0.00 -0.51 0.00 0.00 35.03 30.22 1tot n LYS 13 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1tot s HIS 14 N -3.60 1.29 0.60 2.13 3.76 -1.23 -4.99 115.29 113.25 1tot s HIS 14 Ca 0.36 -0.97 -0.16 0.00 -0.15 0.00 0.00 55.06 54.14 1tot s HIS 14 Cb -0.19 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 32.74 1tot s HIS 14 CO 0.88 -0.14 1.07 -1.58 -0.85 0.00 0.00 174.74 174.12 1tot s HIS 15 N -3.57 2.90 0.12 1.40 5.65 -1.26 -1.10 115.29 119.43 1tot s HIS 15 Ca 0.24 1.52 -0.11 0.00 0.25 0.00 0.00 55.06 56.97 1tot s HIS 15 Cb 0.06 -3.06 0.01 0.00 -1.18 0.00 0.00 32.58 28.41 1tot s HIS 15 CO 0.05 -1.23 0.26 0.14 -0.65 0.00 0.00 174.74 173.31 1tot s VAL 16 N -2.37 0.11 -0.22 0.89 -7.23 -0.27 -4.74 120.40 106.57 1tot s VAL 16 Ca 0.65 -1.09 0.19 0.00 -1.81 0.00 0.00 61.98 59.92 1tot s VAL 16 Cb -0.17 -1.42 -0.27 0.00 0.56 0.00 0.00 36.38 35.07 1tot s VAL 16 CO 0.36 -0.49 0.50 -1.84 -0.31 0.00 0.00 175.10 173.32 1tot n GLU 17 N -0.14 0.66 -4.09 4.82 -0.00 -1.26 -0.28 120.64 120.35 1tot n GLU 17 Ca -0.13 -0.13 -0.16 0.00 -0.00 0.00 0.00 57.16 56.73 1tot n GLU 17 Cb 0.63 -1.43 -0.15 0.00 -0.00 0.00 0.00 31.44 30.49 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 -3.17 0.35 0.18 3.84 2.01 -1.26 -4.21 115.64 113.38 1tot s THR 18 Ca -0.04 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 1tot s THR 18 Cb 0.12 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 1tot s THR 18 CO 0.78 0.13 0.32 0.00 -0.69 0.00 0.00 174.62 175.16 1tot s ARG 19 N 0.28 1.23 -0.13 4.92 1.70 0.18 -4.59 118.95 122.53 1tot s ARG 19 Ca -0.03 -1.19 -0.07 0.00 -0.47 0.00 0.00 55.73 53.97 1tot s ARG 19 Cb -0.06 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1tot s ARG 19 CO -0.00 -0.46 0.11 -1.58 -1.08 0.00 0.00 175.30 172.29 1tot s TRP 20 N -3.98 3.49 -0.07 5.89 0.52 0.19 -1.32 118.94 123.66 1tot s TRP 20 Ca 0.19 0.42 -0.01 0.00 0.02 0.00 0.00 56.10 56.72 1tot s TRP 20 Cb 0.03 -1.96 0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1tot s TRP 20 CO 0.02 0.59 -0.01 -1.58 0.02 0.00 0.00 176.95 175.99 1tot s HIS 21 N -0.69 0.70 -0.10 -1.98 5.65 -0.31 -0.63 115.29 117.92 1tot s HIS 21 Ca 0.13 -0.19 -0.30 0.00 0.25 0.00 0.00 55.06 54.95 1tot s HIS 21 Cb -0.12 -0.79 -0.04 0.00 -1.18 0.00 0.00 32.58 30.46 1tot s HIS 21 CO 0.03 -0.32 1.43 0.00 -0.65 0.00 0.00 174.74 175.23 1tot n THR 23 N 5.31 2.17 -0.06 0.00 -2.24 -1.12 -3.94 114.28 114.42 1tot n THR 23 Ca 0.15 -1.30 -0.07 0.00 -2.27 0.00 0.00 64.05 60.56 1tot n THR 23 Cb 0.44 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.90 1.42 -1.55 2.28 3.14 -1.26 -5.02 118.33 118.23 1tot n VAL 24 Ca 0.26 0.18 -0.29 0.00 -2.96 0.00 0.00 64.34 61.54 1tot n VAL 24 Cb 1.00 -2.13 0.13 0.00 -1.06 0.00 0.00 33.84 31.78 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 -5.29 3.51 -0.76 0.00 2.02 -1.26 -4.32 118.70 112.59 1tot s GLU 26 Ca 0.64 -0.98 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 1tot s GLU 26 Cb -0.15 -5.10 0.03 0.00 0.10 0.00 0.00 34.13 29.01 1tot s GLU 26 CO 0.53 -2.17 0.14 -3.47 0.02 0.00 0.00 175.26 170.31 1tot n ASP 27 N 8.86 -2.64 -4.76 -0.19 2.03 -1.25 -4.91 116.55 113.68 1tot n ASP 27 Ca 0.26 0.10 -0.38 0.00 0.52 0.00 0.00 54.79 55.29 1tot n ASP 27 Cb 0.50 -2.29 0.01 0.00 -0.72 0.00 0.00 41.12 38.63 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 -2.49 2.67 0.16 -0.67 6.14 -1.25 -2.82 117.35 119.07 1tot s TYR 28 Ca 0.14 1.43 0.04 0.00 0.64 0.00 0.00 57.07 59.32 1tot s TYR 28 Cb -0.07 -3.64 -0.04 0.00 0.42 0.00 0.00 41.96 38.62 1tot s TYR 28 CO 0.17 -2.20 -0.09 -0.51 0.64 0.00 0.00 175.55 173.55 1tot s ASP 29 N -0.96 1.81 -0.10 4.32 1.11 -1.26 -0.65 116.67 120.95 1tot s ASP 29 Ca 0.63 -1.03 -0.07 0.00 0.18 0.00 0.00 52.55 52.26 1tot s ASP 29 Cb -0.36 -0.01 0.03 0.00 1.07 0.00 0.00 42.92 43.65 1tot s ASP 29 CO 0.45 -0.34 0.24 -0.76 1.18 0.00 0.00 175.17 175.94 1tot s LEU 30 N -3.18 0.78 1.01 1.23 1.43 0.20 -0.16 118.68 119.98 1tot s LEU 30 Ca 0.18 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1tot s LEU 30 Cb 0.03 0.79 0.19 0.00 0.03 0.00 0.00 46.19 47.23 1tot s LEU 30 CO 0.01 -0.12 1.08 0.00 0.23 0.00 0.00 176.35 177.55 1tot h ILE 32 N -1.99 0.98 -0.66 0.00 1.08 -1.96 0.11 117.51 115.06 1tot h ILE 32 Ca -0.54 -0.13 -0.08 0.00 -0.39 0.00 0.00 64.86 63.72 1tot h ILE 32 Cb 1.31 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 1tot h ILE 32 CO 0.53 0.07 0.11 -1.13 -0.69 0.00 0.00 178.15 177.05 1tot h ASN 33 N 0.38 1.04 -0.17 1.72 -1.24 -1.97 -0.84 115.58 114.50 1tot h ASN 33 Ca 0.16 -0.24 -0.08 0.00 0.71 0.00 0.00 56.30 56.85 1tot h ASN 33 Cb 0.07 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 1tot h ASN 33 CO -0.11 1.03 -0.20 0.00 -1.29 0.00 0.00 177.43 176.86 1tot h TYR 35 N 0.09 0.74 0.00 0.00 3.20 -0.63 0.29 116.97 120.66 1tot h TYR 35 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1tot h TYR 35 Cb 0.75 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1tot h TYR 35 CO 0.08 0.33 0.00 0.09 -1.64 0.00 0.00 178.16 177.02 1tot n ASN 36 N -4.78 0.41 0.00 -2.11 3.02 -0.34 -3.25 115.26 108.23 1tot n ASN 36 Ca 0.10 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1tot n ASN 36 Cb 0.22 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 -2.04 0.00 0.66 3.41 -2.24 -0.53 -4.77 114.28 108.78 1tot n THR 37 Ca -0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1tot n THR 37 Cb 0.05 -0.83 0.34 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.56 0.25 -4.31 -0.78 4.76 0.90 -4.90 118.16 111.52 1tot n LYS 38 Ca 0.00 0.11 -0.32 0.00 -2.87 0.00 0.00 58.31 55.23 1tot n LYS 38 Cb 0.33 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.19 0.52 -4.59 4.39 7.64 -1.20 -4.83 113.62 114.36 1tot n SER 39 Ca 0.07 -1.25 -0.42 0.00 1.01 0.00 0.00 58.87 58.29 1tot n SER 39 Cb 0.08 -1.73 -0.03 0.00 -1.01 0.00 0.00 64.21 61.52 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 -4.23 1.43 -2.25 1.43 2.46 -1.26 -4.84 115.29 108.02 1tot s HIS 40 Ca 0.09 0.74 0.22 0.00 0.47 0.00 0.00 55.06 56.58 1tot s HIS 40 Cb -0.05 -3.96 0.88 0.00 -0.13 0.00 0.00 32.58 29.32 1tot s HIS 40 CO 0.99 -3.29 1.62 2.41 -2.47 0.00 0.00 174.74 174.00 1tot n THR 41 N 7.63 0.14 -2.44 0.89 -1.04 -1.26 -4.97 114.28 113.22 1tot n THR 41 Ca 0.27 -0.27 -0.24 0.00 -2.04 0.00 0.00 64.05 61.78 1tot n THR 41 Cb 0.48 0.25 0.07 0.00 -1.82 0.00 0.00 70.33 69.31 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 -1.86 2.55 -1.02 -1.42 3.76 -1.26 -4.98 115.29 111.05 1tot s HIS 42 Ca 0.33 0.10 -0.23 0.00 -0.15 0.00 0.00 55.06 55.11 1tot s HIS 42 Cb 0.17 -3.02 -0.01 0.00 1.11 0.00 0.00 32.58 30.84 1tot s HIS 42 CO 0.27 -1.32 1.75 0.21 -0.85 0.00 0.00 174.74 174.80 1tot s LYS 43 N -5.06 3.07 0.18 1.40 2.20 -1.26 -4.94 119.74 115.33 1tot s LYS 43 Ca 0.61 -0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 1tot s LYS 43 Cb -0.09 -5.24 0.04 0.00 -1.51 0.00 0.00 37.83 31.03 1tot s LYS 43 CO 0.42 -2.93 0.25 -1.33 -0.36 0.00 0.00 175.35 171.41 1tot n MET 44 N 8.74 -0.04 -4.40 4.03 2.81 -1.26 -2.78 117.12 124.23 1tot n MET 44 Ca 0.39 -0.46 -0.21 0.00 -1.81 0.00 0.00 57.70 55.61 1tot n MET 44 Cb 0.48 -0.23 -0.09 0.00 -0.71 0.00 0.00 33.22 32.67 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 -1.24 0.44 -0.03 2.03 -7.23 0.46 -4.75 120.40 110.08 1tot s VAL 45 Ca 0.15 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1tot s VAL 45 Cb -0.01 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.48 1tot s VAL 45 CO 0.10 0.00 0.06 -0.75 -0.31 0.00 0.00 175.10 174.20 1tot s LYS 46 N -3.75 0.01 -0.17 4.82 2.36 -1.26 -1.16 119.74 120.58 1tot s LYS 46 Ca 0.32 0.18 0.01 0.00 -2.55 0.00 0.00 55.97 53.93 1tot s LYS 46 Cb 0.04 -0.14 0.03 0.00 -1.05 0.00 0.00 37.83 36.71 1tot s LYS 46 CO 0.17 -0.11 -0.14 -1.58 1.55 0.00 0.00 175.35 175.24 1tot s TRP 47 N 0.74 2.34 0.01 4.03 0.52 -0.43 -5.01 118.94 121.13 1tot s TRP 47 Ca -0.06 -1.41 0.00 0.00 0.02 0.00 0.00 56.10 54.65 1tot s TRP 47 Cb -0.08 -1.65 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1tot s TRP 47 CO -0.03 -0.71 -0.01 0.20 0.02 0.00 0.00 176.95 176.42 1tot s GLY 48 N 1.43 0.09 0.00 0.98 0.00 -1.26 -0.65 107.32 107.91 1tot s GLY 48 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1tot s GLY 48 CO -0.10 -0.22 0.07 1.04 0.00 0.00 0.00 173.10 173.89 1tot n LEU 49 N 2.61 0.00 0.00 0.66 4.77 -1.26 -5.01 117.00 118.77 1tot n LEU 49 Ca -0.16 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1tot n LEU 49 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1tot n LEU 49 CO 0.24 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1tot n GLY 50 N 0.00 0.02 0.10 -0.72 0.00 -1.26 -5.02 105.19 98.31 1tot n GLY 50 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1tot n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tot h LEU 51 N 0.00 0.00 0.00 0.99 5.85 -1.94 -3.52 115.31 116.70 1tot h LEU 51 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1tot h LEU 51 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1tot h LEU 51 CO 0.00 0.06 0.00 -0.67 -0.34 0.00 0.00 178.44 177.49