#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 1.01 0.00 1.61 -0.21 -1.26 -3.25 119.66 117.55 1tot s GLN 2 Ca 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 53.99 1tot s GLN 2 Cb 0.00 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.29 1tot s GLN 2 CO 0.00 -0.31 0.00 -3.47 -2.12 0.00 0.00 175.29 169.39 1tot n ASP 3 N -0.14 0.00 -0.12 5.90 2.03 0.32 -4.87 116.55 119.67 1tot n ASP 3 Ca -0.05 -0.09 -0.12 0.00 0.52 0.00 0.00 54.79 55.05 1tot n ASP 3 Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.77 0.00 -0.67 -0.00 -2.02 -3.39 114.38 109.07 1tot h ARG 4 Ca 0.00 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.98 59.10 1tot h ARG 4 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 29.97 29.88 1tot h ARG 4 CO 0.00 0.95 -0.26 1.97 0.00 0.00 0.00 179.97 182.63 1tot n PHE 5 N -4.29 0.00 -4.18 3.04 1.16 -1.26 -5.10 117.46 106.82 1tot n PHE 5 Ca -0.02 -0.16 -0.16 0.00 -1.87 0.00 0.00 57.45 55.25 1tot n PHE 5 Cb 0.40 0.21 -0.11 0.00 -1.61 0.00 0.00 39.48 38.37 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 1.02 0.13 1.97 1.01 -1.26 -4.67 120.40 118.61 1tot s VAL 6 Ca 0.03 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.44 1tot s VAL 6 Cb 0.04 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1tot s VAL 6 CO -0.02 -0.45 0.20 -1.22 0.00 0.00 0.00 175.10 173.61 1tot n TYR 7 N 0.75 -0.96 -4.53 5.22 4.01 0.46 -0.52 117.16 121.60 1tot n TYR 7 Ca -0.17 -0.84 -0.25 0.00 -0.16 0.00 0.00 57.90 56.48 1tot n TYR 7 Cb 0.57 0.23 -0.11 0.00 -0.31 0.00 0.00 39.34 39.72 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 -2.59 1.66 -0.34 -0.72 -4.23 -1.20 -0.58 115.64 107.63 1tot s THR 8 Ca 0.10 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1tot s THR 8 Cb -0.01 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 71.07 1tot s THR 8 CO 0.07 -0.05 0.08 0.00 -0.54 0.00 0.00 174.62 174.18 1tot n ASN 10 N 4.63 0.00 -0.05 0.00 5.15 0.53 0.59 115.26 126.11 1tot n ASN 10 Ca -0.09 -0.40 -0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1tot n ASN 10 Cb 0.43 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.52 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 -0.94 0.67 0.01 1.20 -0.58 -1.25 -4.35 120.64 115.40 1tot n GLU 11 Ca 0.08 -0.07 0.11 0.00 -0.42 0.00 0.00 57.16 56.86 1tot n GLU 11 Cb 0.03 -1.55 -0.14 0.00 -0.57 0.00 0.00 31.44 29.22 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 -2.25 -3.59 -4.43 0.00 4.01 0.20 -4.97 118.16 107.12 1tot n LYS 13 Ca -0.03 0.42 -0.21 0.00 -0.51 0.00 0.00 58.31 57.98 1tot n LYS 13 Cb 0.55 -5.04 -0.11 0.00 -0.51 0.00 0.00 35.03 29.92 1tot n LYS 13 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1tot s HIS 14 N -3.43 1.91 0.34 2.13 -3.43 -1.24 -4.97 115.29 106.60 1tot s HIS 14 Ca 0.57 -0.93 -0.20 0.00 -0.80 0.00 0.00 55.06 53.70 1tot s HIS 14 Cb -0.31 -1.22 -0.10 0.00 -1.43 0.00 0.00 32.58 29.53 1tot s HIS 14 CO 0.90 0.02 0.85 -1.01 -2.00 0.00 0.00 174.74 173.50 1tot s HIS 15 N -3.29 3.47 0.05 0.38 3.76 -1.26 -1.32 115.29 117.08 1tot s HIS 15 Ca 0.35 1.50 -0.03 0.00 -0.15 0.00 0.00 55.06 56.73 1tot s HIS 15 Cb 0.08 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.00 1tot s HIS 15 CO 0.14 0.10 0.02 0.14 -0.85 0.00 0.00 174.74 174.29 1tot s VAL 16 N -1.89 0.20 -0.07 -0.90 -7.23 0.26 -4.85 120.40 105.92 1tot s VAL 16 Ca 0.54 -1.61 0.22 0.00 -1.81 0.00 0.00 61.98 59.31 1tot s VAL 16 Cb -0.13 -1.39 -0.29 0.00 0.56 0.00 0.00 36.38 35.13 1tot s VAL 16 CO 0.18 -0.89 0.51 -1.84 -0.31 0.00 0.00 175.10 172.75 1tot n GLU 17 N 0.19 0.66 -4.09 4.82 -0.00 -1.26 -0.40 120.64 120.56 1tot n GLU 17 Ca -0.15 -0.14 -0.17 0.00 -0.00 0.00 0.00 57.16 56.70 1tot n GLU 17 Cb 0.61 -1.56 -0.15 0.00 -0.00 0.00 0.00 31.44 30.34 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 -3.40 0.35 0.20 3.84 2.01 -1.26 -3.63 115.64 113.75 1tot s THR 18 Ca -0.07 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1tot s THR 18 Cb 0.13 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 1tot s THR 18 CO 0.89 0.14 0.29 0.00 -0.69 0.00 0.00 174.62 175.25 1tot s ARG 19 N 0.39 1.29 -0.12 4.92 1.70 -0.27 -4.51 118.95 122.35 1tot s ARG 19 Ca -0.04 -1.34 -0.06 0.00 -0.47 0.00 0.00 55.73 53.82 1tot s ARG 19 Cb -0.08 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1tot s ARG 19 CO -0.00 -0.48 0.11 -1.58 -1.08 0.00 0.00 175.30 172.26 1tot s TRP 20 N -4.04 3.47 -0.06 5.89 0.52 0.39 -1.52 118.94 123.59 1tot s TRP 20 Ca 0.25 0.41 -0.01 0.00 0.02 0.00 0.00 56.10 56.78 1tot s TRP 20 Cb 0.03 -1.94 0.03 0.00 -1.15 0.00 0.00 33.47 30.44 1tot s TRP 20 CO 0.06 0.61 -0.01 -1.58 0.02 0.00 0.00 176.95 176.06 1tot s HIS 21 N -0.79 0.61 -0.04 -1.98 5.65 0.05 -0.58 115.29 118.20 1tot s HIS 21 Ca 0.13 -0.14 -0.30 0.00 0.25 0.00 0.00 55.06 55.01 1tot s HIS 21 Cb -0.12 -0.71 -0.05 0.00 -1.18 0.00 0.00 32.58 30.52 1tot s HIS 21 CO 0.03 -0.27 1.46 0.00 -0.65 0.00 0.00 174.74 175.30 1tot n THR 23 N 5.04 2.76 0.00 0.00 -2.24 -0.70 -3.98 114.28 115.15 1tot n THR 23 Ca 0.15 -1.47 -0.00 0.00 -2.27 0.00 0.00 64.05 60.45 1tot n THR 23 Cb 0.43 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.48 0.10 -2.15 2.28 3.14 -1.25 -4.99 118.33 115.94 1tot n VAL 24 Ca 0.28 0.17 -0.35 0.00 -2.96 0.00 0.00 64.34 61.49 1tot n VAL 24 Cb 1.19 -1.21 0.01 0.00 -1.06 0.00 0.00 33.84 32.78 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 -3.40 3.07 -0.94 0.00 2.02 -1.26 -3.88 118.70 114.30 1tot s GLU 26 Ca 0.73 0.67 -0.10 0.00 0.02 0.00 0.00 54.97 56.29 1tot s GLU 26 Cb -0.24 -4.23 0.09 0.00 0.10 0.00 0.00 34.13 29.84 1tot s GLU 26 CO 0.30 -2.21 0.30 -3.47 0.02 0.00 0.00 175.26 170.20 1tot n ASP 27 N 10.83 -2.05 -4.77 -0.19 2.03 -1.26 -4.89 116.55 116.25 1tot n ASP 27 Ca 0.17 -0.27 -0.37 0.00 0.52 0.00 0.00 54.79 54.84 1tot n ASP 27 Cb 0.50 -1.80 -0.00 0.00 -0.72 0.00 0.00 41.12 39.10 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 -2.64 2.78 0.20 -0.67 6.14 -1.25 -0.86 117.35 121.04 1tot s TYR 28 Ca 0.35 1.51 0.02 0.00 0.64 0.00 0.00 57.07 59.60 1tot s TYR 28 Cb -0.20 -3.43 -0.05 0.00 0.42 0.00 0.00 41.96 38.70 1tot s TYR 28 CO 0.43 -1.71 0.01 -0.51 0.64 0.00 0.00 175.55 174.41 1tot s ASP 29 N -1.33 1.39 -0.14 4.32 1.11 -1.26 -1.03 116.67 119.72 1tot s ASP 29 Ca 0.65 -1.20 -0.08 0.00 0.18 0.00 0.00 52.55 52.10 1tot s ASP 29 Cb -0.30 0.09 0.05 0.00 1.07 0.00 0.00 42.92 43.83 1tot s ASP 29 CO 0.36 -0.56 0.33 -0.76 1.18 0.00 0.00 175.17 175.72 1tot s LEU 30 N -3.22 0.29 1.01 1.23 1.43 0.25 -0.35 118.68 119.32 1tot s LEU 30 Ca 0.26 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 1tot s LEU 30 Cb 0.06 1.08 0.20 0.00 0.03 0.00 0.00 46.19 47.56 1tot s LEU 30 CO 0.06 -0.16 1.08 0.00 0.23 0.00 0.00 176.35 177.55 1tot h ILE 32 N -2.05 0.62 -0.35 0.00 1.08 -1.93 0.62 117.51 115.50 1tot h ILE 32 Ca -0.54 -0.11 -0.05 0.00 -0.39 0.00 0.00 64.86 63.77 1tot h ILE 32 Cb 1.31 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1tot h ILE 32 CO 0.51 0.06 0.02 -1.13 -0.69 0.00 0.00 178.15 176.93 1tot h ASN 33 N 0.33 0.59 -0.28 1.72 -1.24 -1.97 -1.81 115.58 112.91 1tot h ASN 33 Ca 0.37 -0.29 -0.08 0.00 0.71 0.00 0.00 56.30 57.01 1tot h ASN 33 Cb 0.57 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1tot h ASN 33 CO -0.42 0.73 -0.13 0.00 -1.29 0.00 0.00 177.43 176.32 1tot h TYR 35 N 0.33 0.47 0.00 0.00 3.20 -0.84 0.32 116.97 120.45 1tot h TYR 35 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1tot h TYR 35 Cb 0.64 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1tot h TYR 35 CO 0.06 0.15 0.00 0.09 -1.64 0.00 0.00 178.16 176.82 1tot n ASN 36 N -4.94 0.32 0.00 -2.11 3.02 -0.69 -3.55 115.26 107.31 1tot n ASN 36 Ca 0.09 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.27 1tot n ASN 36 Cb 0.26 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.91 0.00 0.30 3.41 -2.24 -0.50 -4.80 114.28 108.54 1tot n THR 37 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1tot n THR 37 Cb 0.07 -0.82 0.16 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.55 0.09 -4.19 -0.78 4.76 0.99 -4.87 118.16 111.61 1tot n LYS 38 Ca 0.00 0.22 -0.34 0.00 -2.87 0.00 0.00 58.31 55.33 1tot n LYS 38 Cb 0.29 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 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 -1.28 -2.10 -4.60 4.39 7.64 -1.23 -4.86 113.62 111.57 1tot n SER 39 Ca 0.03 -1.05 -0.43 0.00 1.01 0.00 0.00 58.87 58.43 1tot n SER 39 Cb 0.05 -2.65 -0.03 0.00 -1.01 0.00 0.00 64.21 60.57 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 -3.55 1.56 -2.66 1.43 2.46 -1.26 -4.84 115.29 108.43 1tot s HIS 40 Ca 0.50 0.57 0.24 0.00 0.47 0.00 0.00 55.06 56.85 1tot s HIS 40 Cb -0.28 -4.05 0.54 0.00 -0.13 0.00 0.00 32.58 28.67 1tot s HIS 40 CO 0.93 -3.44 1.46 2.41 -2.47 0.00 0.00 174.74 173.63 1tot n THR 41 N 7.50 0.13 -1.93 0.89 -1.04 -1.26 -4.99 114.28 113.58 1tot n THR 41 Ca 0.25 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 1tot n THR 41 Cb 0.46 0.97 0.07 0.00 -1.82 0.00 0.00 70.33 70.01 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 -1.87 3.11 -0.32 -1.42 3.76 -1.26 -4.96 115.29 112.33 1tot s HIS 42 Ca 0.33 0.85 -0.29 0.00 -0.15 0.00 0.00 55.06 55.80 1tot s HIS 42 Cb 0.20 -3.28 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 1tot s HIS 42 CO 0.31 -1.48 1.56 0.21 -0.85 0.00 0.00 174.74 174.49 1tot s LYS 43 N -5.45 3.61 0.39 1.40 2.36 -1.26 -4.94 119.74 115.86 1tot s LYS 43 Ca 0.60 1.31 0.03 0.00 -2.55 0.00 0.00 55.97 55.36 1tot s LYS 43 Cb -0.11 -4.06 0.03 0.00 -1.05 0.00 0.00 37.83 32.65 1tot s LYS 43 CO 0.50 -1.52 0.27 -1.33 1.55 0.00 0.00 175.35 174.82 1tot n MET 44 N 7.97 0.92 -4.32 4.03 2.81 -1.26 -1.73 117.12 125.55 1tot n MET 44 Ca 0.19 -2.48 -0.19 0.00 -1.81 0.00 0.00 57.70 53.41 1tot n MET 44 Cb 0.47 0.30 -0.09 0.00 -0.71 0.00 0.00 33.22 33.19 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 -1.98 0.19 -0.11 2.03 -7.23 0.09 -4.81 120.40 108.57 1tot s VAL 45 Ca 0.21 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.30 1tot s VAL 45 Cb -0.02 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1tot s VAL 45 CO 0.13 0.00 0.27 -0.75 -0.31 0.00 0.00 175.10 174.44 1tot s LYS 46 N -3.73 0.28 -0.11 4.82 2.36 -1.26 -0.77 119.74 121.34 1tot s LYS 46 Ca 0.37 0.46 -0.01 0.00 -2.55 0.00 0.00 55.97 54.24 1tot s LYS 46 Cb 0.04 0.05 0.03 0.00 -1.05 0.00 0.00 37.83 36.89 1tot s LYS 46 CO 0.20 -0.09 -0.06 -1.58 1.55 0.00 0.00 175.35 175.37 1tot s TRP 47 N 0.63 1.32 0.01 4.03 0.52 -0.57 -5.00 118.94 119.86 1tot s TRP 47 Ca -0.04 -0.64 0.03 0.00 0.02 0.00 0.00 56.10 55.47 1tot s TRP 47 Cb -0.05 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.11 1tot s TRP 47 CO -0.04 -0.48 -0.11 0.20 0.02 0.00 0.00 176.95 176.54 1tot s GLY 48 N 1.76 0.57 0.00 0.98 0.00 -1.26 -1.11 107.32 108.25 1tot s GLY 48 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1tot s GLY 48 CO -0.08 -0.50 0.18 1.04 0.00 0.00 0.00 173.10 173.75 1tot n LEU 49 N 2.52 0.00 0.00 0.66 4.77 -1.24 -5.00 117.00 118.71 1tot n LEU 49 Ca -0.15 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 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 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1tot n GLY 50 N 0.00 -0.38 2.47 -0.72 0.00 -1.26 -5.01 105.19 100.29 1tot n GLY 50 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.18 1.73 0.00 0.99 4.77 -1.26 -5.10 117.00 115.95 1tot n LEU 51 Ca 0.00 -4.96 0.09 0.00 -0.03 0.00 0.00 56.01 51.11 1tot n LEU 51 Cb 0.00 -0.08 0.55 0.00 -2.33 0.00 0.00 43.42 41.56 1tot n LEU 51 CO 0.00 1.95 0.75 -0.67 -1.33 0.00 0.00 177.39 178.09