#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mah s MET 2 N 0.00 4.12 0.39 -2.82 -1.94 -1.26 -0.72 119.30 117.07 1mah s MET 2 Ca 0.00 0.98 0.03 0.00 -1.71 0.00 0.00 55.69 55.00 1mah s MET 2 Cb 0.00 -3.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 1mah s MET 2 CO 0.00 -0.67 0.09 0.00 -0.01 0.00 0.00 175.02 174.43 1mah s TYR 4 N -3.21 3.54 -0.01 0.00 2.02 -1.26 -1.63 117.35 116.80 1mah s TYR 4 Ca 0.27 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.42 1mah s TYR 4 Cb 0.05 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 1mah s TYR 4 CO 0.14 0.60 -0.08 0.45 -1.57 0.00 0.00 175.55 175.09 1mah s SER 5 N -2.02 1.03 0.00 2.29 0.15 0.33 -2.93 113.70 112.55 1mah s SER 5 Ca 0.30 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1mah s SER 5 Cb -0.13 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1mah s SER 5 CO 0.20 0.08 0.00 0.00 1.20 0.00 0.00 173.24 174.72 1mah n HIS 6 N 3.09 0.00 -1.83 3.44 1.44 -0.52 -1.56 115.22 119.29 1mah n HIS 6 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1mah n HIS 6 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 1mah n HIS 6 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1mah n THR 7 N -0.16 0.00 1.72 0.61 -2.24 -1.26 -2.39 114.28 110.55 1mah n THR 7 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1mah n THR 7 Cb 0.00 -1.04 0.70 0.00 -2.10 0.00 0.00 70.33 67.89 1mah n THR 7 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mah n THR 8 N 0.00 0.01 -0.58 4.28 -2.24 -1.26 -3.63 114.28 110.86 1mah n THR 8 Ca 0.00 -0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1mah n THR 8 Cb 0.00 0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1mah n THR 8 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mah n THR 9 N -0.34 0.75 -4.43 4.28 -2.24 -1.26 -5.07 114.28 105.97 1mah n THR 9 Ca 0.21 -0.80 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 1mah n THR 9 Cb 0.24 0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 1mah n THR 9 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1mah s SER 10 N -0.96 3.31 0.57 3.42 0.15 -1.24 -5.14 113.70 113.81 1mah s SER 10 Ca 0.04 -1.02 -0.08 0.00 0.70 0.00 0.00 55.95 55.59 1mah s SER 10 Cb 0.04 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1mah s SER 10 CO 0.00 -0.01 0.92 -0.60 1.20 0.00 0.00 173.24 174.75 1mah s ARG 11 N -3.49 3.43 -0.62 5.44 6.06 -1.26 -4.57 118.95 123.93 1mah s ARG 11 Ca 0.27 0.41 -0.27 0.00 -2.50 0.00 0.00 55.73 53.64 1mah s ARG 11 Cb -0.04 -2.22 0.01 0.00 0.06 0.00 0.00 34.95 32.76 1mah s ARG 11 CO 0.13 -0.48 1.49 0.00 -2.50 0.00 0.00 175.30 173.94 1mah s ALA 12 N -2.99 2.64 0.39 6.12 0.00 -1.26 -4.55 121.76 122.10 1mah s ALA 12 Ca 0.52 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1mah s ALA 12 Cb -0.11 -4.20 -0.03 0.00 0.00 0.00 0.00 23.12 18.79 1mah s ALA 12 CO 0.49 -3.27 0.62 0.42 0.00 0.00 0.00 175.76 174.02 1mah s ILE 13 N 6.73 4.86 -0.29 0.00 -1.09 -0.60 -4.88 121.20 125.94 1mah s ILE 13 Ca 0.52 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.56 1mah s ILE 13 Cb -0.11 -3.79 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1mah s ILE 13 CO 0.21 -0.58 0.02 -0.22 -1.23 0.00 0.00 174.94 173.15 1mah s LEU 14 N -4.45 3.69 -0.15 2.97 2.96 -1.26 -0.51 118.68 121.93 1mah s LEU 14 Ca 0.43 -0.89 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1mah s LEU 14 Cb -0.10 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1mah s LEU 14 CO 0.38 -0.20 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.13 1mah s THR 15 N 1.40 2.25 -0.18 3.68 2.01 -0.65 -4.95 115.64 119.21 1mah s THR 15 Ca 0.00 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 1mah s THR 15 Cb -0.18 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1mah s THR 15 CO -0.00 0.54 2.02 0.21 -0.69 0.00 0.00 174.62 176.69 1mah s ASN 16 N 0.83 5.87 0.00 3.53 2.47 -1.26 -3.31 114.94 123.07 1mah s ASN 16 Ca -0.06 1.95 0.16 0.00 0.42 0.00 0.00 52.86 55.33 1mah s ASN 16 Cb -0.15 -2.52 0.57 0.00 -1.45 0.00 0.00 41.25 37.69 1mah s ASN 16 CO -0.02 -1.62 1.43 0.00 -3.72 0.00 0.00 177.10 173.17 1mah n GLY 18 N 1.09 1.29 3.08 0.00 0.00 -1.25 -3.17 105.19 106.23 1mah n GLY 18 Ca 0.14 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1mah n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mah n GLU 19 N 2.26 3.36 -3.94 1.61 1.02 -1.26 0.14 120.64 123.82 1mah n GLU 19 Ca 0.00 -3.40 -0.09 0.00 -0.02 0.00 0.00 57.16 53.65 1mah n GLU 19 Cb 0.00 -3.10 -0.05 0.00 -0.02 0.00 0.00 31.44 28.27 1mah n GLU 19 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1mah s ASN 20 N 2.24 -0.10 0.24 1.62 2.47 -1.19 -5.04 114.94 115.17 1mah s ASN 20 Ca 0.44 -0.83 -0.20 0.00 0.42 0.00 0.00 52.86 52.69 1mah s ASN 20 Cb 0.07 0.56 -0.08 0.00 -1.45 0.00 0.00 41.25 40.34 1mah s ASN 20 CO -0.00 -1.08 0.75 -0.94 -3.72 0.00 0.00 177.10 172.10 1mah s SER 21 N -2.98 7.05 0.06 -4.21 1.04 -1.26 -4.80 113.70 108.60 1mah s SER 21 Ca 0.19 1.44 0.07 0.00 0.48 0.00 0.00 55.95 58.13 1mah s SER 21 Cb -0.00 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1mah s SER 21 CO 0.05 -0.00 -0.18 0.00 0.98 0.00 0.00 173.24 174.09 1mah n TYR 23 N 1.58 -1.79 -3.22 0.00 4.11 0.15 -2.01 117.16 115.98 1mah n TYR 23 Ca -0.19 -1.28 -0.01 0.00 -0.00 0.00 0.00 57.90 56.42 1mah n TYR 23 Cb 0.54 -0.29 -0.03 0.00 -0.00 0.00 0.00 39.34 39.56 1mah n TYR 23 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1mah s ARG 24 N -3.41 0.49 -0.37 -3.48 3.52 -0.78 -3.31 118.95 111.61 1mah s ARG 24 Ca 0.27 0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 56.29 1mah s ARG 24 Cb -0.02 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1mah s ARG 24 CO 0.17 -0.85 0.40 0.21 -0.81 0.00 0.00 175.30 174.42 1mah s LYS 25 N 2.72 3.37 0.17 5.12 2.20 0.14 -1.79 119.74 131.67 1mah s LYS 25 Ca 0.14 -0.55 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 1mah s LYS 25 Cb -0.13 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 1mah s LYS 25 CO -0.24 -0.66 -0.11 -1.54 -0.36 0.00 0.00 175.35 172.44 1mah s SER 26 N 1.76 2.02 0.30 1.43 1.04 -0.34 0.67 113.70 120.58 1mah s SER 26 Ca 0.12 -1.03 -0.29 0.00 0.48 0.00 0.00 55.95 55.23 1mah s SER 26 Cb -0.17 -0.05 -0.10 0.00 0.10 0.00 0.00 66.02 65.81 1mah s SER 26 CO 0.12 -0.30 1.29 -0.60 0.98 0.00 0.00 173.24 174.73 1mah s ARG 27 N -3.73 4.39 -0.02 4.02 3.52 0.62 -0.35 118.95 127.40 1mah s ARG 27 Ca 0.19 2.15 -0.25 0.00 -0.13 0.00 0.00 55.73 57.69 1mah s ARG 27 Cb 0.02 -3.10 -0.19 0.00 -1.56 0.00 0.00 34.95 30.12 1mah s ARG 27 CO 0.03 -0.16 1.18 -0.09 -0.81 0.00 0.00 175.30 175.45 1mah h ARG 28 N 3.80 -0.12 -5.98 5.12 1.12 -1.56 -3.41 114.38 113.35 1mah h ARG 28 Ca -0.48 0.01 -0.64 0.00 -1.11 0.00 0.00 59.98 57.76 1mah h ARG 28 Cb 1.22 0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 31.14 1mah h ARG 28 CO 0.68 0.33 -0.54 -1.01 -3.11 0.00 0.00 179.97 176.31 1mah s HIS 29 N -4.15 3.38 0.21 2.20 3.76 -1.26 -4.86 115.29 114.57 1mah s HIS 29 Ca -0.15 0.22 -0.31 0.00 -0.15 0.00 0.00 55.06 54.67 1mah s HIS 29 Cb 0.01 -1.73 -0.15 0.00 1.11 0.00 0.00 32.58 31.82 1mah s HIS 29 CO 0.61 0.57 1.04 -2.30 -0.85 0.00 0.00 174.74 173.82 1mah n PRO 30 N 0.67 1.08 -2.50 8.40 -0.02 -1.26 -3.74 135.00 137.63 1mah n PRO 30 Ca -0.09 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1mah n PRO 30 Cb 0.52 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 1mah n PRO 30 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1mah s PRO 31 N -0.84 4.40 -1.03 0.52 0.02 -1.26 -5.06 135.00 131.75 1mah s PRO 31 Ca 0.68 1.64 -0.18 0.00 0.02 0.00 0.00 61.00 63.15 1mah s PRO 31 Cb -0.82 -3.50 -0.08 0.00 0.02 0.00 0.00 34.50 30.12 1mah s PRO 31 CO 0.55 -0.36 2.06 1.63 -0.33 0.00 0.00 177.00 180.56 1mah n LYS 32 N 4.79 2.04 -2.31 5.54 5.02 -1.25 -4.77 118.16 127.22 1mah n LYS 32 Ca 0.10 -2.08 -0.38 0.00 -2.02 0.00 0.00 58.31 53.92 1mah n LYS 32 Cb 0.47 -3.01 -0.02 0.00 -0.02 0.00 0.00 35.03 32.44 1mah n LYS 32 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1mah s MET 33 N 4.24 4.13 -0.15 1.97 -1.94 -1.26 -4.62 119.30 121.66 1mah s MET 33 Ca 0.53 1.84 -0.24 0.00 -1.71 0.00 0.00 55.69 56.12 1mah s MET 33 Cb 0.14 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 1mah s MET 33 CO 0.04 -0.26 0.75 0.08 -0.01 0.00 0.00 175.02 175.62 1mah s VAL 34 N -1.39 4.95 -0.37 -6.03 1.01 -1.26 -0.27 120.40 117.04 1mah s VAL 34 Ca 0.56 1.48 0.15 0.00 0.00 0.00 0.00 61.98 64.17 1mah s VAL 34 Cb -0.31 -4.07 0.73 0.00 0.00 0.00 0.00 36.38 32.73 1mah s VAL 34 CO 0.39 0.10 1.64 0.18 0.00 0.00 0.00 175.10 177.41 1mah n LEU 35 N 4.86 5.10 0.00 3.92 4.77 0.21 -4.94 117.00 130.91 1mah n LEU 35 Ca 0.02 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.13 1mah n LEU 35 Cb 0.50 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1mah n LEU 35 CO 0.47 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1mah n GLY 36 N 0.41 3.57 3.33 -0.72 0.00 -1.11 -4.27 105.19 106.40 1mah n GLY 36 Ca 0.26 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 1mah n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mah s ARG 37 N -4.34 1.29 0.04 1.61 0.52 -1.01 -0.68 118.95 116.38 1mah s ARG 37 Ca 0.00 -1.54 -0.18 0.00 -0.52 0.00 0.00 55.73 53.49 1mah s ARG 37 Cb 0.00 -1.10 0.06 0.00 0.52 0.00 0.00 34.95 34.43 1mah s ARG 37 CO 0.00 0.19 0.82 0.41 0.02 0.00 0.00 175.30 176.74 1mah n GLY 38 N -0.25 0.51 3.93 -3.53 0.00 -1.15 -1.43 105.19 103.28 1mah n GLY 38 Ca -0.09 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 1mah n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mah n GLY 40 N -3.24 -2.24 2.63 0.00 0.00 0.66 -4.54 105.19 98.45 1mah n GLY 40 Ca 0.11 -1.51 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 1mah n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mah s PRO 42 N 1.64 3.62 0.04 0.00 0.04 -1.26 -5.06 135.00 134.02 1mah s PRO 42 Ca 0.14 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 1mah s PRO 42 Cb -0.17 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1mah s PRO 42 CO -0.14 -0.24 1.05 -1.25 0.04 0.00 0.00 177.00 176.46 1mah s PRO 43 N -4.60 4.54 0.26 0.56 0.04 -1.26 -4.92 135.00 129.62 1mah s PRO 43 Ca 0.50 1.55 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1mah s PRO 43 Cb -0.10 -3.40 0.04 0.00 0.04 0.00 0.00 34.50 31.07 1mah s PRO 43 CO 0.43 -0.08 0.36 0.41 0.04 0.00 0.00 177.00 178.16 1mah n GLY 44 N 2.87 1.97 3.48 0.56 0.00 -1.26 -5.08 105.19 107.72 1mah n GLY 44 Ca 0.06 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 1mah n GLY 44 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mah s ASP 45 N -2.61 2.59 0.63 1.61 1.47 -1.21 -4.99 116.67 114.17 1mah s ASP 45 Ca 0.27 -1.69 0.32 0.00 1.18 0.00 0.00 52.55 52.64 1mah s ASP 45 Cb -0.02 0.52 1.79 0.00 -0.34 0.00 0.00 42.92 44.87 1mah s ASP 45 CO 0.17 -0.96 2.07 -2.24 0.68 0.00 0.00 175.17 174.89 1mah h ASP 46 N 1.85 0.00 1.45 2.11 3.04 -2.02 0.10 116.42 122.95 1mah h ASP 46 Ca -0.34 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.41 1mah h ASP 46 Cb 1.27 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.55 1mah h ASP 46 CO 0.53 0.00 -0.23 0.78 -2.04 0.00 0.00 179.24 178.29 1mah h ASN 47 N 0.00 0.00 -2.79 4.15 -0.26 -1.96 -3.42 115.58 111.30 1mah h ASN 47 Ca 0.05 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.70 1mah h ASN 47 Cb 0.53 0.00 -0.26 0.00 -1.06 0.00 0.00 38.32 37.52 1mah h ASN 47 CO -0.00 0.23 -0.30 -1.48 -1.06 0.00 0.00 177.43 174.81 1mah s LEU 48 N -6.44 -0.48 0.50 1.61 0.05 0.36 -1.62 118.68 112.65 1mah s LEU 48 Ca 0.04 1.02 -0.21 0.00 0.05 0.00 0.00 54.13 55.03 1mah s LEU 48 Cb 0.08 1.47 -0.07 0.00 -2.05 0.00 0.00 46.19 45.62 1mah s LEU 48 CO 0.67 -0.22 1.12 -1.61 -0.55 0.00 0.00 176.35 175.76 1mah s GLU 49 N 2.09 3.60 -0.31 1.48 2.02 0.52 -3.31 118.70 124.80 1mah s GLU 49 Ca -0.06 1.61 -0.02 0.00 0.02 0.00 0.00 54.97 56.52 1mah s GLU 49 Cb -0.10 -2.17 0.10 0.00 0.10 0.00 0.00 34.13 32.06 1mah s GLU 49 CO -0.14 -0.64 0.12 0.08 0.02 0.00 0.00 175.26 174.70 1mah s VAL 50 N -1.74 0.56 0.10 2.63 1.01 -1.26 -1.20 120.40 120.50 1mah s VAL 50 Ca 0.68 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 1mah s VAL 50 Cb -0.24 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1mah s VAL 50 CO 0.28 -0.72 0.75 -1.59 0.00 0.00 0.00 175.10 173.81 1mah s LYS 51 N 1.67 4.50 -0.07 2.72 0.00 -0.74 -4.88 119.74 122.94 1mah s LYS 51 Ca 0.10 1.07 0.04 0.00 0.00 0.00 0.00 55.97 57.18 1mah s LYS 51 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 37.83 34.35 1mah s LYS 51 CO -0.26 0.44 -0.18 0.00 0.00 0.00 0.00 175.35 175.35 1mah n THR 54 N -1.12 0.00 -3.64 0.00 -2.24 -1.26 -2.56 114.28 103.45 1mah n THR 54 Ca -0.14 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 1mah n THR 54 Cb 0.66 -0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 1mah n THR 54 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mah s SER 55 N -0.90 -0.51 0.00 3.42 1.04 -1.26 -4.92 113.70 110.57 1mah s SER 55 Ca 0.00 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1mah s SER 55 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1mah s SER 55 CO 0.00 -0.41 0.00 -0.81 0.98 0.00 0.00 173.24 173.00 1mah n PRO 56 N 1.72 3.86 -0.96 4.02 -0.04 -1.26 -4.83 135.00 137.51 1mah n PRO 56 Ca -0.18 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 1mah n PRO 56 Cb 0.56 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.16 1mah n PRO 56 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mah s ASP 57 N -1.00 3.61 -1.19 3.54 1.01 -1.26 -2.55 116.67 118.83 1mah s ASP 57 Ca 0.00 2.06 0.00 0.00 0.71 0.00 0.00 52.55 55.32 1mah s ASP 57 Cb 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1mah s ASP 57 CO 0.00 -2.64 0.00 0.29 0.21 0.00 0.00 175.17 173.03 1mah n LYS 58 N -3.86 -1.39 0.22 8.23 5.02 0.36 -4.81 118.16 121.93 1mah n LYS 58 Ca 0.11 0.66 0.09 0.00 -2.02 0.00 0.00 58.31 57.15 1mah n LYS 58 Cb 0.52 -4.92 0.50 0.00 -0.02 0.00 0.00 35.03 31.11 1mah n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mah n ASN 60 N -3.58 5.15 0.00 0.00 6.94 -1.26 -4.88 115.26 117.63 1mah n ASN 60 Ca -0.01 -2.72 0.09 0.00 -0.02 0.00 0.00 54.58 51.92 1mah n ASN 60 Cb 0.39 -0.93 0.53 0.00 -2.36 0.00 0.00 39.78 37.41 1mah n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23