#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4mon n GLU 3 N 0.00 0.00 -1.58 -0.14 -0.58 -1.26 -5.07 120.64 112.01 4mon n GLU 3 Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 4mon n GLU 3 Cb 0.00 -0.45 -0.04 0.00 -0.57 0.00 0.00 31.44 30.38 4mon n GLU 3 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 4mon n ILE 4 N -2.32 0.34 -0.04 -3.67 3.06 -1.26 -4.91 119.36 110.57 4mon n ILE 4 Ca 0.00 -0.41 -0.03 0.00 -2.50 0.00 0.00 62.75 59.81 4mon n ILE 4 Cb 0.20 -2.41 -0.02 0.00 0.54 0.00 0.00 39.64 37.95 4mon n ILE 4 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 4mon h LYS 5 N 14.41 -0.02 0.00 9.51 1.57 -1.97 -3.46 116.57 136.61 4mon h LYS 5 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 4mon h LYS 5 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 4mon h LYS 5 CO 0.97 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 180.41 4mon n GLY 6 N 1.69 1.77 3.53 3.86 0.00 -1.26 -1.02 105.19 113.76 4mon n GLY 6 Ca -0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 4mon n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4mon s TYR 7 N -2.69 1.79 -0.29 1.61 2.02 0.13 -4.83 117.35 115.08 4mon s TYR 7 Ca 0.00 -1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 55.30 4mon s TYR 7 Cb 0.00 -1.18 0.12 0.00 -0.40 0.00 0.00 41.96 40.50 4mon s TYR 7 CO 0.00 -0.29 0.65 -1.21 -1.57 0.00 0.00 175.55 173.13 4mon s GLU 8 N -3.70 0.60 -0.12 -0.62 2.02 -1.26 -2.03 118.70 113.60 4mon s GLU 8 Ca 0.22 1.39 -0.02 0.00 0.02 0.00 0.00 54.97 56.58 4mon s GLU 8 Cb 0.02 0.70 -0.03 0.00 0.10 0.00 0.00 34.13 34.92 4mon s GLU 8 CO 0.14 -0.19 -0.02 0.71 0.02 0.00 0.00 175.26 175.92 4mon s TYR 9 N 2.60 3.07 -0.67 1.61 1.51 -0.50 -4.99 117.35 119.98 4mon s TYR 9 Ca -0.07 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 4mon s TYR 9 Cb -0.10 -1.86 0.17 0.00 -0.11 0.00 0.00 41.96 40.06 4mon s TYR 9 CO -0.19 0.23 0.47 -0.65 -1.11 0.00 0.00 175.55 174.30 4mon s GLN 10 N -0.31 2.29 0.50 -0.62 -0.21 -1.26 -0.87 119.66 119.19 4mon s GLN 10 Ca 0.06 -3.20 -0.04 0.00 0.02 0.00 0.00 55.36 52.20 4mon s GLN 10 Cb -0.12 -3.23 0.11 0.00 1.00 0.00 0.00 33.01 30.76 4mon s GLN 10 CO 0.02 -1.29 0.68 1.28 -2.12 0.00 0.00 175.29 173.86 4mon n LEU 11 N 2.11 0.00 -3.76 2.90 7.99 -0.87 -4.98 117.00 120.39 4mon n LEU 11 Ca 0.20 -1.10 -0.25 0.00 -0.01 0.00 0.00 56.01 54.84 4mon n LEU 11 Cb 0.36 -0.48 -0.17 0.00 -0.11 0.00 0.00 43.42 43.02 4mon n LEU 11 CO 0.26 -0.90 -0.38 -0.31 -1.51 0.00 0.00 177.39 174.54 4mon s TYR 12 N -2.16 0.84 -0.16 -1.77 1.51 -1.26 -3.59 117.35 110.77 4mon s TYR 12 Ca 0.42 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 4mon s TYR 12 Cb -0.02 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.93 4mon s TYR 12 CO 0.28 -0.45 -0.19 0.08 -1.11 0.00 0.00 175.55 174.17 4mon s VAL 13 N 1.92 2.31 -0.28 0.71 1.01 0.11 -4.97 120.40 121.19 4mon s VAL 13 Ca 0.03 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 4mon s VAL 13 Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 4mon s VAL 13 CO -0.07 0.53 0.67 -0.31 0.00 0.00 0.00 175.10 175.93 4mon s TYR 14 N 0.95 3.24 -0.02 5.22 1.51 -1.26 -0.60 117.35 126.38 4mon s TYR 14 Ca -0.03 0.74 0.01 0.00 -1.01 0.00 0.00 57.07 56.77 4mon s TYR 14 Cb -0.15 -2.99 0.02 0.00 -0.11 0.00 0.00 41.96 38.73 4mon s TYR 14 CO -0.04 -0.44 -0.01 0.00 -1.11 0.00 0.00 175.55 173.95 4mon s ALA 15 N 2.65 0.33 -1.46 3.71 0.00 -0.61 -4.79 121.76 121.59 4mon s ALA 15 Ca 0.27 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 4mon s ALA 15 Cb -0.15 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.77 4mon s ALA 15 CO 0.11 -0.02 0.98 0.43 0.00 0.00 0.00 175.76 177.25 4mon n SER 16 N 3.80 -4.50 -2.06 0.00 7.64 -1.26 -1.79 113.62 115.45 4mon n SER 16 Ca -0.23 -0.74 -0.09 0.00 1.01 0.00 0.00 58.87 58.82 4mon n SER 16 Cb 0.53 -4.16 -0.02 0.00 -1.01 0.00 0.00 64.21 59.55 4mon n SER 16 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 4mon n ASP 17 N -2.91 -2.90 -4.13 6.43 9.92 -1.26 -4.94 116.55 116.76 4mon n ASP 17 Ca -0.02 0.26 -0.21 0.00 -0.53 0.00 0.00 54.79 54.28 4mon n ASP 17 Cb 0.56 -2.61 -0.14 0.00 -0.64 0.00 0.00 41.12 38.29 4mon n ASP 17 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 4mon s LYS 18 N -4.27 1.06 -0.30 -1.24 1.02 -0.74 -5.11 119.74 110.16 4mon s LYS 18 Ca 0.00 -0.65 -0.21 0.00 0.02 0.00 0.00 55.97 55.12 4mon s LYS 18 Cb 0.00 -1.05 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 4mon s LYS 18 CO 0.00 0.27 0.69 -1.17 -0.92 0.00 0.00 175.35 174.22 4mon s LEU 19 N -0.77 4.12 0.34 3.17 1.98 -1.26 -1.58 118.68 124.68 4mon s LEU 19 Ca 0.04 0.54 0.09 0.00 -2.89 0.00 0.00 54.13 51.90 4mon s LEU 19 Cb -0.07 -2.91 -0.05 0.00 0.66 0.00 0.00 46.19 43.82 4mon s LEU 19 CO 0.00 -0.51 0.06 -0.36 -1.89 0.00 0.00 176.35 173.65 4mon s PHE 20 N 2.72 2.60 -0.15 5.38 0.40 0.23 -1.14 117.98 128.02 4mon s PHE 20 Ca 0.28 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.15 4mon s PHE 20 Cb -0.15 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 41.88 4mon s PHE 20 CO 0.12 0.42 0.05 0.50 0.70 0.00 0.00 175.22 177.01 4mon s ARG 21 N -3.76 0.35 0.26 0.44 6.06 -0.96 0.06 118.95 121.40 4mon s ARG 21 Ca 0.36 -0.12 0.08 0.00 -2.50 0.00 0.00 55.73 53.55 4mon s ARG 21 Cb -0.01 -1.64 -0.04 0.00 0.06 0.00 0.00 34.95 33.33 4mon s ARG 21 CO 0.20 -0.56 0.14 0.00 -2.50 0.00 0.00 175.30 172.59 4mon s ALA 22 N 2.01 3.48 -0.14 6.12 0.00 -1.24 -1.85 121.76 130.14 4mon s ALA 22 Ca 0.02 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 4mon s ALA 22 Cb -0.15 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.87 4mon s ALA 22 CO -0.07 0.24 0.04 -0.51 0.00 0.00 0.00 175.76 175.46 4mon s ASP 23 N -3.80 2.30 -0.22 0.00 1.11 -0.90 -2.05 116.67 113.11 4mon s ASP 23 Ca 0.33 -0.51 -0.10 0.00 0.18 0.00 0.00 52.55 52.46 4mon s ASP 23 Cb -0.07 -0.45 -0.05 0.00 1.07 0.00 0.00 42.92 43.42 4mon s ASP 23 CO 0.24 -0.28 0.13 -0.63 1.18 0.00 0.00 175.17 175.80 4mon s ILE 24 N 1.97 5.22 0.28 0.77 1.09 -0.05 -0.66 121.20 129.83 4mon s ILE 24 Ca 0.02 0.13 -0.09 0.00 -1.10 0.00 0.00 60.65 59.61 4mon s ILE 24 Cb -0.15 -3.41 -0.07 0.00 -1.06 0.00 0.00 42.46 37.78 4mon s ILE 24 CO -0.07 0.40 0.60 -0.55 -0.10 0.00 0.00 174.94 175.22 4mon s SER 25 N 0.73 6.57 -0.14 3.58 0.15 -1.23 -1.41 113.70 121.95 4mon s SER 25 Ca 0.07 0.93 -0.05 0.00 0.70 0.00 0.00 55.95 57.60 4mon s SER 25 Cb -0.13 -2.23 0.07 0.00 -1.71 0.00 0.00 66.02 62.02 4mon s SER 25 CO 0.02 -0.17 0.27 -0.70 1.20 0.00 0.00 173.24 173.85 4mon s GLU 26 N -3.20 0.16 0.02 5.44 2.12 -0.86 -2.50 118.70 119.87 4mon s GLU 26 Ca 0.48 0.74 -0.30 0.00 0.36 0.00 0.00 54.97 56.25 4mon s GLU 26 Cb -0.11 -0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.16 4mon s GLU 26 CO 0.25 -0.30 1.48 0.34 -0.54 0.00 0.00 175.26 176.49 4mon s ASP 27 N 2.43 6.77 0.00 -1.70 -1.08 -0.45 0.18 116.67 122.81 4mon s ASP 27 Ca 0.01 2.23 0.01 0.00 -0.52 0.00 0.00 52.55 54.28 4mon s ASP 27 Cb -0.12 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.82 4mon s ASP 27 CO -0.09 -0.78 0.55 0.00 0.52 0.00 0.00 175.17 175.38 4mon n TYR 28 N 5.47 0.00 0.00 -5.34 9.36 -0.19 -1.08 117.16 125.39 4mon n TYR 28 Ca 0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.36 4mon n TYR 28 Cb 0.43 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 4mon n TYR 28 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 4mon n LYS 29 N -0.52 0.00 0.00 2.98 5.02 -1.26 -4.77 118.16 119.60 4mon n LYS 29 Ca 0.01 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 4mon n LYS 29 Cb 0.00 -0.37 0.26 0.00 -0.02 0.00 0.00 35.03 34.91 4mon n LYS 29 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 4mon n THR 30 N -2.68 0.00 -1.68 -0.18 -2.24 -1.24 -4.91 114.28 101.35 4mon n THR 30 Ca 0.00 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 4mon n THR 30 Cb 0.29 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 4mon n THR 30 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 4mon n ARG 31 N -1.32 -1.50 -2.49 -0.78 3.00 -0.24 -4.95 116.66 108.37 4mon n ARG 31 Ca 0.07 0.91 -0.25 0.00 -0.00 0.00 0.00 57.85 58.57 4mon n ARG 31 Cb 0.34 -5.28 0.03 0.00 0.00 0.00 0.00 32.46 27.55 4mon n ARG 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 4mon s GLY 32 N -2.29 1.63 0.05 5.14 0.00 -1.26 -4.76 107.32 105.83 4mon s GLY 32 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 44.72 43.73 4mon s GLY 32 CO 0.00 -0.56 0.35 1.09 0.00 0.00 0.00 173.10 173.98 4mon s ARG 33 N -4.93 0.87 0.15 2.90 3.03 -1.26 -1.34 118.95 118.37 4mon s ARG 33 Ca 0.54 -0.48 0.02 0.00 2.03 0.00 0.00 55.73 57.83 4mon s ARG 33 Cb -0.10 0.38 0.02 0.00 -1.03 0.00 0.00 34.95 34.21 4mon s ARG 33 CO 0.43 -0.29 0.13 1.63 -1.13 0.00 0.00 175.30 176.08 4mon n LYS 34 N 0.47 1.19 -3.52 3.89 5.02 -1.04 -4.95 118.16 119.21 4mon n LYS 34 Ca -0.18 -0.91 -0.27 0.00 -2.02 0.00 0.00 58.31 54.93 4mon n LYS 34 Cb 0.60 0.06 -0.09 0.00 -0.02 0.00 0.00 35.03 35.58 4mon n LYS 34 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 4mon n LEU 35 N 0.00 2.56 -0.32 -0.35 7.94 -1.26 -3.50 117.00 122.07 4mon n LEU 35 Ca 0.01 -5.15 0.05 0.00 -1.11 0.00 0.00 56.01 49.80 4mon n LEU 35 Cb 0.17 -0.36 0.13 0.00 0.53 0.00 0.00 43.42 43.88 4mon n LEU 35 CO 0.10 1.95 0.68 -0.07 -1.11 0.00 0.00 177.39 178.95 4mon h LEU 36 N 4.64 -0.83 -8.20 -1.96 4.07 -1.25 -3.45 115.31 108.33 4mon h LEU 36 Ca 0.17 0.27 -0.09 0.00 0.08 0.00 0.00 57.88 58.31 4mon h LEU 36 Cb 0.75 0.56 -0.05 0.00 1.08 0.00 0.00 40.66 43.00 4mon h LEU 36 CO 0.70 -0.30 0.06 0.00 -1.08 0.00 0.00 178.44 177.81 4mon s ARG 37 N -6.25 1.96 -0.29 1.13 1.70 -0.86 -4.96 118.95 111.38 4mon s ARG 37 Ca -0.15 -1.45 -0.16 0.00 -0.47 0.00 0.00 55.73 53.51 4mon s ARG 37 Cb 0.25 0.54 0.15 0.00 -0.57 0.00 0.00 34.95 35.33 4mon s ARG 37 CO 0.77 -0.87 1.00 0.12 -1.08 0.00 0.00 175.30 175.24 4mon s PHE 38 N -3.04 -0.55 0.05 5.89 2.19 -1.26 -2.11 117.98 119.15 4mon s PHE 38 Ca 0.21 1.08 0.01 0.00 0.33 0.00 0.00 56.93 58.55 4mon s PHE 38 Cb -0.03 0.33 -0.00 0.00 -1.31 0.00 0.00 43.02 42.01 4mon s PHE 38 CO 0.13 -0.27 0.04 0.09 1.83 0.00 0.00 175.22 177.04 4mon n ASN 39 N 3.88 -0.11 0.00 6.13 5.03 -0.77 -4.94 115.26 124.48 4mon n ASN 39 Ca -0.17 -1.33 0.00 0.00 0.87 0.00 0.00 54.58 53.95 4mon n ASN 39 Cb 0.57 0.26 0.00 0.00 -1.02 0.00 0.00 39.78 39.58 4mon n ASN 39 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 4mon n GLY 40 N -0.10 -0.69 3.77 7.41 0.00 -1.26 -2.27 105.19 112.05 4mon n GLY 40 Ca 0.01 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 4mon n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 4mon s PRO 41 N -0.88 4.21 0.49 1.61 0.02 -1.26 -5.04 135.00 134.15 4mon s PRO 41 Ca 0.00 1.98 0.06 0.00 0.02 0.00 0.00 61.00 63.06 4mon s PRO 41 Cb 0.00 -2.87 0.01 0.00 0.02 0.00 0.00 34.50 31.65 4mon s PRO 41 CO 0.00 -0.23 0.33 0.14 -0.33 0.00 0.00 177.00 176.91 4mon s VAL 42 N -1.28 1.94 0.49 3.83 -7.23 -0.29 -5.00 120.40 112.86 4mon s VAL 42 Ca 0.53 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 4mon s VAL 42 Cb -0.34 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.13 4mon s VAL 42 CO 0.44 0.00 0.72 -2.16 -0.31 0.00 0.00 175.10 173.80 4mon s PRO 43 N -4.15 2.97 0.46 4.82 0.04 -1.26 -4.47 135.00 133.40 4mon s PRO 43 Ca 0.36 -0.44 -0.23 0.00 0.04 0.00 0.00 61.00 60.73 4mon s PRO 43 Cb -0.01 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 4mon s PRO 43 CO 0.22 -0.40 1.03 -2.30 0.04 0.00 0.00 177.00 175.59 4mon n PRO 44 N -2.20 1.34 0.00 0.56 -0.02 -1.26 -5.06 135.00 128.36 4mon n PRO 44 Ca 0.03 0.49 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 4mon n PRO 44 Cb 0.58 -2.12 0.95 0.00 -0.02 0.00 0.00 33.50 32.89 4mon n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13