#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 0.93 0.20 1.61 -2.07 -1.26 -3.45 119.66 115.62 1tot s GLN 2 Ca 0.00 -0.21 -0.02 0.00 -1.82 0.00 0.00 55.36 53.31 1tot s GLN 2 Cb 0.00 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1tot s GLN 2 CO 0.00 -0.31 0.15 0.34 -1.32 0.00 0.00 175.29 174.15 1tot s ASP 3 N -1.77 0.14 0.51 12.60 2.15 0.66 -4.93 116.67 126.02 1tot s ASP 3 Ca -0.07 -1.35 0.34 0.00 0.43 0.00 0.00 52.55 51.89 1tot s ASP 3 Cb -0.01 0.39 1.69 0.00 -0.30 0.00 0.00 42.92 44.69 1tot s ASP 3 CO 0.01 -0.85 2.03 0.08 -0.17 0.00 0.00 175.17 176.26 1tot h ARG 4 N 2.61 0.00 0.00 4.34 -0.00 -2.02 -3.32 114.38 115.99 1tot h ARG 4 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.63 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 0.52 0.00 -0.06 1.97 -0.00 0.00 0.00 179.97 182.40 1tot n PHE 5 N -2.78 0.00 -4.15 4.08 1.16 -1.26 -5.10 117.46 109.41 1tot n PHE 5 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.43 1tot n PHE 5 Cb 0.14 0.11 -0.11 0.00 -1.61 0.00 0.00 39.48 38.01 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 0.81 0.09 1.97 1.01 -1.25 -4.64 120.40 118.39 1tot s VAL 6 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.44 1tot s VAL 6 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1tot s VAL 6 CO 0.00 -0.54 0.15 -1.22 0.00 0.00 0.00 175.10 173.49 1tot n TYR 7 N 0.74 -0.99 -4.45 5.22 4.01 0.64 -0.25 117.16 122.09 1tot n TYR 7 Ca -0.17 -0.50 -0.22 0.00 -0.16 0.00 0.00 57.90 56.85 1tot n TYR 7 Cb 0.57 0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 39.68 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 -2.65 0.89 -0.30 -0.72 -4.23 -1.22 -0.61 115.64 106.79 1tot s THR 8 Ca 0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1tot s THR 8 Cb -0.01 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.27 1tot s THR 8 CO 0.04 0.00 -0.02 0.00 -0.54 0.00 0.00 174.62 174.10 1tot n ASN 10 N 4.44 0.00 -0.05 0.00 5.15 0.92 0.72 115.26 126.45 1tot n ASN 10 Ca -0.09 -0.36 -0.02 0.00 -0.60 0.00 0.00 54.58 53.51 1tot n ASN 10 Cb 0.42 0.00 -0.15 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 0.00 1.20 -0.58 -1.25 -4.33 120.64 115.41 1tot n GLU 11 Ca 0.07 -0.02 0.11 0.00 -0.42 0.00 0.00 57.16 56.90 1tot n GLU 11 Cb 0.03 -1.58 -0.15 0.00 -0.57 0.00 0.00 31.44 29.18 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 -2.26 -3.49 -4.35 0.00 4.01 0.22 -4.97 118.16 107.32 1tot n LYS 13 Ca -0.03 0.40 -0.18 0.00 -0.51 0.00 0.00 58.31 57.99 1tot n LYS 13 Cb 0.55 -5.08 -0.10 0.00 -0.51 0.00 0.00 35.03 29.89 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 -3.37 1.64 0.56 2.13 2.46 -1.24 -4.97 115.29 112.50 1tot s HIS 14 Ca 0.65 -0.93 -0.19 0.00 0.47 0.00 0.00 55.06 55.06 1tot s HIS 14 Cb -0.35 -0.97 -0.05 0.00 -0.13 0.00 0.00 32.58 31.08 1tot s HIS 14 CO 0.91 -0.03 1.11 -1.58 -2.47 0.00 0.00 174.74 172.68 1tot s HIS 15 N -3.40 2.71 0.07 3.88 5.65 -1.26 -1.23 115.29 121.71 1tot s HIS 15 Ca 0.30 1.55 -0.06 0.00 0.25 0.00 0.00 55.06 57.09 1tot s HIS 15 Cb 0.06 -3.23 -0.01 0.00 -1.18 0.00 0.00 32.58 28.22 1tot s HIS 15 CO 0.10 -1.50 0.13 0.14 -0.65 0.00 0.00 174.74 172.96 1tot s VAL 16 N -1.93 0.16 -0.11 0.89 -7.23 0.22 -4.77 120.40 107.62 1tot s VAL 16 Ca 0.71 -1.30 0.22 0.00 -1.81 0.00 0.00 61.98 59.80 1tot s VAL 16 Cb -0.22 -1.29 -0.21 0.00 0.56 0.00 0.00 36.38 35.22 1tot s VAL 16 CO 0.29 -0.72 0.68 -1.84 -0.31 0.00 0.00 175.10 173.20 1tot n GLU 17 N 0.15 0.64 -4.04 4.82 -0.00 -1.26 -0.26 120.64 120.69 1tot n GLU 17 Ca -0.16 -0.06 -0.19 0.00 -0.00 0.00 0.00 57.16 56.76 1tot n GLU 17 Cb 0.61 -1.64 -0.16 0.00 -0.00 0.00 0.00 31.44 30.25 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 0.36 0.16 3.84 2.01 -1.26 -3.32 115.64 114.02 1tot s THR 18 Ca -0.05 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1tot s THR 18 Cb 0.12 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1tot s THR 18 CO 0.86 0.19 0.08 0.00 -0.69 0.00 0.00 174.62 175.06 1tot s ARG 19 N 1.00 1.03 -0.11 4.92 1.70 0.07 -4.49 118.95 123.08 1tot s ARG 19 Ca -0.10 -1.51 -0.04 0.00 -0.47 0.00 0.00 55.73 53.62 1tot s ARG 19 Cb -0.14 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 1tot s ARG 19 CO -0.01 -0.30 0.03 -1.58 -1.08 0.00 0.00 175.30 172.37 1tot s TRP 20 N -4.06 3.25 -0.07 5.89 0.52 0.27 -1.54 118.94 123.20 1tot s TRP 20 Ca 0.29 0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.62 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 0.05 0.46 -0.01 -1.58 0.02 0.00 0.00 176.95 175.89 1tot s HIS 21 N -0.71 0.78 -0.02 -1.98 5.65 0.08 -0.55 115.29 118.54 1tot s HIS 21 Ca 0.12 -0.24 -0.30 0.00 0.25 0.00 0.00 55.06 54.88 1tot s HIS 21 Cb -0.12 -0.84 -0.06 0.00 -1.18 0.00 0.00 32.58 30.38 1tot s HIS 21 CO 0.02 -0.34 1.52 0.00 -0.65 0.00 0.00 174.74 175.30 1tot n THR 23 N 5.03 2.85 0.02 0.00 -2.24 0.01 -4.11 114.28 115.84 1tot n THR 23 Ca 0.15 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 1tot n THR 23 Cb 0.43 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.57 -1.23 2.28 3.14 -1.25 -4.94 118.33 115.99 1tot n VAL 24 Ca 0.44 0.19 -0.29 0.00 -2.96 0.00 0.00 64.34 61.72 1tot n VAL 24 Cb 1.33 -1.26 0.18 0.00 -1.06 0.00 0.00 33.84 33.03 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 -5.10 3.44 -1.38 0.00 2.02 -1.26 -4.38 118.70 112.04 1tot s GLU 26 Ca 0.66 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.66 1tot s GLU 26 Cb -0.17 -4.91 0.14 0.00 0.10 0.00 0.00 34.13 29.30 1tot s GLU 26 CO 0.57 -2.16 0.51 -3.47 0.02 0.00 0.00 175.26 170.72 1tot n ASP 27 N 8.93 -2.42 -4.77 -0.19 2.03 -1.26 -4.90 116.55 113.99 1tot n ASP 27 Ca 0.21 -0.70 -0.39 0.00 0.52 0.00 0.00 54.79 54.43 1tot n ASP 27 Cb 0.50 -2.06 -0.02 0.00 -0.72 0.00 0.00 41.12 38.82 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 -2.96 3.15 0.21 -0.67 6.14 -1.26 -1.25 117.35 120.71 1tot s TYR 28 Ca 0.57 1.55 0.05 0.00 0.64 0.00 0.00 57.07 59.89 1tot s TYR 28 Cb -0.32 -3.43 -0.05 0.00 0.42 0.00 0.00 41.96 38.57 1tot s TYR 28 CO 0.71 -1.29 -0.07 -0.51 0.64 0.00 0.00 175.55 175.03 1tot s ASP 29 N -0.96 2.17 -0.10 4.32 1.01 -1.26 -0.66 116.67 121.18 1tot s ASP 29 Ca 0.53 -1.11 -0.07 0.00 0.71 0.00 0.00 52.55 52.61 1tot s ASP 29 Cb -0.33 -0.06 0.04 0.00 1.01 0.00 0.00 42.92 43.58 1tot s ASP 29 CO 0.42 -0.36 0.25 -0.76 0.21 0.00 0.00 175.17 174.94 1tot s LEU 30 N -3.30 0.63 1.05 1.23 1.43 0.29 -0.05 118.68 119.96 1tot s LEU 30 Ca 0.24 0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 1tot s LEU 30 Cb 0.03 0.81 0.22 0.00 0.03 0.00 0.00 46.19 47.28 1tot s LEU 30 CO 0.07 -0.14 1.07 0.00 0.23 0.00 0.00 176.35 177.58 1tot h ILE 32 N -2.14 0.77 -0.38 0.00 1.08 -1.93 0.69 117.51 115.61 1tot h ILE 32 Ca -0.57 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 1tot h ILE 32 Cb 1.33 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1tot h ILE 32 CO 0.55 0.06 0.09 -1.13 -0.69 0.00 0.00 178.15 177.02 1tot h ASN 33 N 0.30 0.58 -0.25 1.72 -1.24 -1.97 -1.24 115.58 113.48 1tot h ASN 33 Ca 0.25 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 1tot h ASN 33 Cb 0.31 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1tot h ASN 33 CO -0.29 0.66 -0.08 0.00 -1.29 0.00 0.00 177.43 176.43 1tot h TYR 35 N 0.23 0.69 0.00 0.00 3.20 -0.81 0.29 116.97 120.57 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 0.57 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1tot h TYR 35 CO 0.06 0.22 0.00 0.09 -1.64 0.00 0.00 178.16 176.89 1tot n ASN 36 N -4.86 0.65 0.00 -2.11 3.02 -0.47 -3.93 115.26 107.56 1tot n ASN 36 Ca 0.13 0.72 0.00 0.00 -0.03 0.00 0.00 54.58 55.40 1tot n ASN 36 Cb 0.33 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.29 0.00 0.52 3.41 -2.24 -0.42 -4.80 114.28 108.46 1tot n THR 37 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1tot n THR 37 Cb 0.14 -0.70 0.26 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.45 0.21 -4.23 -0.78 4.76 0.89 -4.88 118.16 111.68 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 0.28 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.16 -0.72 -4.62 4.39 7.64 -1.25 -4.87 113.62 113.03 1tot n SER 39 Ca 0.06 -1.14 -0.43 0.00 1.01 0.00 0.00 58.87 58.37 1tot n SER 39 Cb 0.06 -2.25 -0.03 0.00 -1.01 0.00 0.00 64.21 60.98 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 -3.86 1.57 -1.77 1.43 2.46 -1.26 -4.86 115.29 108.99 1tot s HIS 40 Ca 0.29 0.36 0.18 0.00 0.47 0.00 0.00 55.06 56.36 1tot s HIS 40 Cb -0.16 -4.04 0.57 0.00 -0.13 0.00 0.00 32.58 28.82 1tot s HIS 40 CO 0.96 -3.84 1.47 2.41 -2.47 0.00 0.00 174.74 173.27 1tot n THR 41 N 6.88 1.04 -2.77 0.89 -1.04 -1.26 -4.99 114.28 113.03 1tot n THR 41 Ca 0.23 -0.88 -0.20 0.00 -2.04 0.00 0.00 64.05 61.17 1tot n THR 41 Cb 0.45 0.31 0.03 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.35 2.71 -0.42 -1.42 3.76 -1.26 -5.02 115.29 112.29 1tot s HIS 42 Ca 0.42 -0.18 -0.28 0.00 -0.15 0.00 0.00 55.06 54.87 1tot s HIS 42 Cb 0.23 -2.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 1tot s HIS 42 CO 0.26 -0.79 1.90 0.21 -0.85 0.00 0.00 174.74 175.47 1tot s LYS 43 N -4.65 3.00 0.45 1.40 2.20 -1.26 -4.94 119.74 115.95 1tot s LYS 43 Ca 0.57 1.23 0.07 0.00 -0.36 0.00 0.00 55.97 57.48 1tot s LYS 43 Cb -0.10 -4.30 -0.02 0.00 -1.51 0.00 0.00 37.83 31.91 1tot s LYS 43 CO 0.37 -2.26 0.31 -1.64 -0.36 0.00 0.00 175.35 171.77 1tot s MET 44 N 6.34 2.34 0.47 4.03 -1.94 -1.26 -0.81 119.30 128.47 1tot s MET 44 Ca 0.79 -1.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.00 1tot s MET 44 Cb -0.20 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 34.49 1tot s MET 44 CO 0.29 -0.29 0.07 0.14 -0.01 0.00 0.00 175.02 175.23 1tot s VAL 45 N -2.61 0.81 -0.10 -6.03 -7.23 0.39 -4.85 120.40 100.79 1tot s VAL 45 Ca 0.41 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 1tot s VAL 45 Cb -0.00 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.79 1tot s VAL 45 CO 0.24 0.00 0.24 -0.75 -0.31 0.00 0.00 175.10 174.52 1tot s LYS 46 N -3.78 0.23 -0.07 4.82 2.36 -1.26 -0.74 119.74 121.29 1tot s LYS 46 Ca 0.12 0.45 0.03 0.00 -2.55 0.00 0.00 55.97 54.02 1tot s LYS 46 Cb 0.01 -0.03 0.01 0.00 -1.05 0.00 0.00 37.83 36.77 1tot s LYS 46 CO 0.08 -0.12 -0.16 -1.58 1.55 0.00 0.00 175.35 175.12 1tot s TRP 47 N 0.85 1.77 -0.08 4.03 0.52 -0.59 -5.00 118.94 120.44 1tot s TRP 47 Ca -0.06 -0.66 -0.09 0.00 0.02 0.00 0.00 56.10 55.31 1tot s TRP 47 Cb -0.07 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 31.03 1tot s TRP 47 CO -0.05 -0.30 0.25 0.20 0.02 0.00 0.00 176.95 177.07 1tot s GLY 48 N 0.49 -0.17 0.00 0.98 0.00 -1.26 -0.75 107.32 106.61 1tot s GLY 48 Ca -0.14 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1tot s GLY 48 CO 0.05 0.53 0.05 -0.10 0.00 0.00 0.00 173.10 173.63 1tot n LEU 49 N 2.77 0.00 0.00 0.66 -0.00 -1.21 -4.98 117.00 114.24 1tot n LEU 49 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1tot n LEU 49 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1tot n LEU 49 CO 0.18 0.06 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 1tot n GLY 50 N 0.00 -0.29 2.41 -3.96 0.00 -1.26 -5.01 105.19 97.08 1tot n GLY 50 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.03 2.24 0.00 0.99 4.77 -1.26 -5.11 117.00 116.61 1tot n LEU 51 Ca 0.00 -5.10 0.08 0.00 -0.03 0.00 0.00 56.01 50.96 1tot n LEU 51 Cb 0.00 -0.19 0.50 0.00 -2.33 0.00 0.00 43.42 41.40 1tot n LEU 51 CO 0.00 2.01 0.70 -0.67 -1.33 0.00 0.00 177.39 178.10