#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgj n SER 2 N 0.00 0.00 0.00 1.67 3.41 -1.26 -5.19 113.62 112.25 1cgj n SER 2 Ca 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1cgj n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cgj n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cgj n LEU 3 N 0.00 0.00 -3.16 1.04 -0.00 -1.26 -5.11 117.00 108.50 1cgj n LEU 3 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 1cgj n LEU 3 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1cgj n LEU 3 CO 0.00 0.00 0.33 -0.83 -0.00 0.00 0.00 177.39 176.89 1cgj s GLY 4 N 0.00 -0.74 0.00 1.47 0.00 -1.26 -5.09 107.32 101.71 1cgj s GLY 4 Ca 0.00 2.22 0.00 0.00 0.00 0.00 0.00 44.72 46.94 1cgj s GLY 4 CO 0.00 3.53 0.00 -2.13 0.00 0.00 0.00 173.10 174.50 1cgj n ARG 5 N 5.44 0.00 -3.13 2.90 0.63 -1.26 -3.70 116.66 117.54 1cgj n ARG 5 Ca -0.04 0.36 -0.39 0.00 -0.92 0.00 0.00 57.85 56.86 1cgj n ARG 5 Cb 0.52 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.38 1cgj n ARG 5 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1cgj s GLU 6 N -3.27 4.39 -0.08 -0.14 2.12 -1.26 0.50 118.70 120.96 1cgj s GLU 6 Ca 0.00 0.78 -0.22 0.00 0.36 0.00 0.00 54.97 55.89 1cgj s GLU 6 Cb 0.00 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1cgj s GLU 6 CO 0.00 0.18 0.65 0.00 -0.54 0.00 0.00 175.26 175.55 1cgj s ALA 7 N 0.44 3.37 -0.03 6.30 0.00 -1.26 -4.94 121.76 125.63 1cgj s ALA 7 Ca 0.34 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 1cgj s ALA 7 Cb -0.18 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 1cgj s ALA 7 CO 0.17 -0.10 0.53 0.15 0.00 0.00 0.00 175.76 176.50 1cgj s LYS 8 N 0.82 4.24 0.55 0.00 1.02 -1.26 -4.58 119.74 120.53 1cgj s LYS 8 Ca 0.35 0.59 0.07 0.00 0.02 0.00 0.00 55.97 57.00 1cgj s LYS 8 Cb -0.17 -3.34 0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1cgj s LYS 8 CO 0.16 0.38 0.55 0.00 -0.92 0.00 0.00 175.35 175.52 1cgj s TYR 10 N -2.72 3.22 -0.06 0.00 1.51 -1.26 -4.96 117.35 113.09 1cgj s TYR 10 Ca 0.45 -1.13 0.13 0.00 -1.01 0.00 0.00 57.07 55.51 1cgj s TYR 10 Cb -0.04 -2.32 -0.12 0.00 -0.11 0.00 0.00 41.96 39.38 1cgj s TYR 10 CO 0.28 -0.65 1.08 -0.97 -1.11 0.00 0.00 175.55 174.18 1cgj h ASN 11 N 8.29 0.00 0.00 2.29 -0.00 -1.98 -3.29 115.58 120.89 1cgj h ASN 11 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1cgj h ASN 11 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.42 1cgj h ASN 11 CO 0.62 0.74 0.00 -0.62 -0.00 0.00 0.00 177.43 178.17 1cgj n GLU 12 N -3.13 0.75 -3.70 6.67 -0.58 -1.26 -4.58 120.64 114.81 1cgj n GLU 12 Ca -0.05 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.55 1cgj n GLU 12 Cb 0.88 -1.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.65 1cgj n GLU 12 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1cgj s LEU 13 N -0.99 0.18 -0.30 -4.62 2.96 -1.24 -5.10 118.68 109.57 1cgj s LEU 13 Ca 0.00 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.83 1cgj s LEU 13 Cb 0.00 1.68 0.46 0.00 0.50 0.00 0.00 46.19 48.82 1cgj s LEU 13 CO 0.00 -0.24 1.25 0.59 -1.32 0.00 0.00 176.35 176.63 1cgj n ASN 14 N 2.48 4.55 -3.16 3.68 3.02 -1.26 -4.62 115.26 119.95 1cgj n ASN 14 Ca -0.15 -3.78 -0.17 0.00 -0.03 0.00 0.00 54.58 50.46 1cgj n ASN 14 Cb 0.57 -0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1cgj n ASN 14 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1cgj s GLY 15 N -3.42 1.88 0.49 7.41 0.00 -1.26 -5.18 107.32 107.23 1cgj s GLY 15 Ca 0.50 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1cgj s GLY 15 CO 0.02 -1.18 0.02 0.00 0.00 0.00 0.00 173.10 171.97 1cgj s THR 17 N -2.92 4.68 -0.47 0.00 -4.23 -1.26 -5.02 115.64 106.42 1cgj s THR 17 Ca 0.10 1.11 0.02 0.00 -1.18 0.00 0.00 61.69 61.75 1cgj s THR 17 Cb 0.02 -3.81 0.56 0.00 1.34 0.00 0.00 72.50 70.61 1cgj s THR 17 CO 0.06 0.23 1.90 0.18 -0.54 0.00 0.00 174.62 176.45 1cgj n LEU 18 N 0.79 6.77 -4.88 4.79 4.77 -1.26 -4.99 117.00 122.98 1cgj n LEU 18 Ca -0.04 -3.65 -0.30 0.00 -0.03 0.00 0.00 56.01 52.00 1cgj n LEU 18 Cb 0.51 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1cgj n LEU 18 CO 0.43 1.13 0.47 -1.83 -1.33 0.00 0.00 177.39 176.26 1cgj s GLU 19 N -3.18 3.72 -0.39 3.23 -1.05 -1.26 -5.05 118.70 114.72 1cgj s GLU 19 Ca 0.55 0.45 -0.07 0.00 -0.15 0.00 0.00 54.97 55.75 1cgj s GLU 19 Cb 0.45 -2.35 0.07 0.00 -0.44 0.00 0.00 34.13 31.86 1cgj s GLU 19 CO 0.07 -0.12 0.20 -0.47 0.95 0.00 0.00 175.26 175.89 1cgj s TYR 20 N -2.53 3.35 -0.40 4.83 5.04 -1.26 -4.67 117.35 121.71 1cgj s TYR 20 Ca 0.51 -1.66 0.07 0.00 -2.44 0.00 0.00 57.07 53.55 1cgj s TYR 20 Cb -0.10 -2.80 0.22 0.00 0.35 0.00 0.00 41.96 39.64 1cgj s TYR 20 CO 0.36 -0.84 0.48 0.54 -1.34 0.00 0.00 175.55 174.76 1cgj n ARG 21 N 4.83 0.55 -1.62 4.97 1.74 0.16 -5.03 116.66 122.26 1cgj n ARG 21 Ca -0.10 -3.13 -0.39 0.00 -0.77 0.00 0.00 57.85 53.46 1cgj n ARG 21 Cb 0.43 -1.36 0.03 0.00 -1.02 0.00 0.00 32.46 30.54 1cgj n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1cgj n PRO 22 N 1.88 1.18 -4.48 5.56 -0.04 -1.07 -3.91 135.00 134.13 1cgj n PRO 22 Ca 0.23 0.44 -0.23 0.00 -0.04 0.00 0.00 63.50 63.90 1cgj n PRO 22 Cb 0.52 -2.14 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 1cgj n PRO 22 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cgj s VAL 23 N -1.40 1.39 -0.34 0.52 -7.23 -0.51 -0.34 120.40 112.49 1cgj s VAL 23 Ca 0.69 -1.12 -0.15 0.00 -1.81 0.00 0.00 61.98 59.59 1cgj s VAL 23 Cb -0.48 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1cgj s VAL 23 CO 0.52 0.09 0.37 0.00 -0.31 0.00 0.00 175.10 175.77 1cgj s GLY 25 N 1.73 1.59 0.00 0.00 0.00 0.33 0.56 107.32 111.53 1cgj s GLY 25 Ca 0.12 -0.45 0.05 0.00 0.00 0.00 0.00 44.72 44.44 1cgj s GLY 25 CO 0.12 -0.18 0.67 -1.30 0.00 0.00 0.00 173.10 172.41 1cgj n THR 26 N -2.63 0.00 0.06 0.90 -2.24 0.46 -1.10 114.28 109.73 1cgj n THR 26 Ca 0.04 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 1cgj n THR 26 Cb 0.56 -0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 1cgj n THR 26 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1cgj n ASP 27 N -0.86 0.54 0.00 3.42 5.75 -1.26 -4.94 116.55 119.20 1cgj n ASP 27 Ca 0.04 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1cgj n ASP 27 Cb 0.02 0.96 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 1cgj n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cgj n GLY 28 N 1.24 1.12 3.53 6.12 0.00 -0.26 -5.10 105.19 111.83 1cgj n GLY 28 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1cgj n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cgj s ASP 29 N -2.00 4.06 0.05 1.61 1.11 -1.24 -4.88 116.67 115.37 1cgj s ASP 29 Ca 0.00 -0.55 -0.21 0.00 0.18 0.00 0.00 52.55 51.97 1cgj s ASP 29 Cb 0.00 -0.63 -0.06 0.00 1.07 0.00 0.00 42.92 43.30 1cgj s ASP 29 CO 0.00 0.15 0.61 -0.89 1.18 0.00 0.00 175.17 176.22 1cgj s THR 30 N -1.36 4.78 -0.08 -1.27 2.01 -1.26 0.12 115.64 118.58 1cgj s THR 30 Ca 0.21 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.54 1cgj s THR 30 Cb -0.10 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1cgj s THR 30 CO 0.12 0.48 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.04 1cgj s TYR 31 N -0.65 2.01 0.56 4.92 1.51 -0.66 -4.97 117.35 120.07 1cgj s TYR 31 Ca 0.31 -0.78 0.24 0.00 -1.01 0.00 0.00 57.07 55.83 1cgj s TYR 31 Cb -0.19 -1.38 1.57 0.00 -0.11 0.00 0.00 41.96 41.84 1cgj s TYR 31 CO 0.19 -0.34 2.18 -1.35 -1.11 0.00 0.00 175.55 175.12 1cgj h PRO 32 N 6.80 0.00 -2.85 -1.71 0.11 -1.87 -1.36 132.00 131.12 1cgj h PRO 32 Ca -0.25 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.92 1cgj h PRO 32 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1cgj h PRO 32 CO 0.47 0.00 0.33 0.54 -0.21 0.00 0.00 178.00 179.13 1cgj s ASN 33 N -6.44 -0.11 0.13 -2.05 2.20 -1.25 0.41 114.94 107.83 1cgj s ASN 33 Ca -0.05 -0.80 -0.10 0.00 -0.94 0.00 0.00 52.86 50.97 1cgj s ASN 33 Cb 0.16 0.72 -0.07 0.00 -2.00 0.00 0.00 41.25 40.05 1cgj s ASN 33 CO 0.60 -1.38 1.39 -0.08 -2.94 0.00 0.00 177.10 174.69 1cgj h GLU 34 N 2.00 0.77 -0.66 3.55 4.81 -1.85 -2.85 114.58 120.35 1cgj h GLU 34 Ca -0.26 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.44 1cgj h GLU 34 Cb 1.24 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1cgj h GLU 34 CO 0.32 1.17 0.44 0.00 -0.73 0.00 0.00 179.01 180.21 1cgj h VAL 36 N 0.87 1.26 -0.69 0.00 2.07 -1.85 -0.67 116.25 117.25 1cgj h VAL 36 Ca 0.25 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1cgj h VAL 36 Cb -0.06 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1cgj h VAL 36 CO -0.06 0.34 0.21 0.25 0.02 0.00 0.00 177.57 178.33 1cgj h LEU 37 N 1.11 0.99 -0.21 2.57 5.85 -1.06 -0.58 115.31 123.98 1cgj h LEU 37 Ca 0.25 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1cgj h LEU 37 Cb 0.24 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1cgj h LEU 37 CO -0.02 0.93 0.09 0.00 -0.34 0.00 0.00 178.44 179.10 1cgj h PHE 39 N 0.19 0.55 0.00 0.00 0.04 -0.92 -1.70 116.94 115.11 1cgj h PHE 39 Ca 0.07 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1cgj h PHE 39 Cb 0.18 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1cgj h PHE 39 CO -0.01 0.50 -0.00 0.93 -0.60 0.00 0.00 178.31 179.12 1cgj h GLU 40 N 0.53 -0.00 -0.22 1.51 4.39 -0.91 -1.82 114.58 118.05 1cgj h GLU 40 Ca 0.12 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.88 1cgj h GLU 40 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1cgj h GLU 40 CO 0.00 0.32 0.16 -0.91 -1.16 0.00 0.00 179.01 177.42 1cgj h ASN 41 N -0.33 0.01 0.31 1.42 2.35 -0.62 -2.05 115.58 116.67 1cgj h ASN 41 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1cgj h ASN 41 Cb 0.33 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1cgj h ASN 41 CO 0.00 0.00 -0.15 0.03 -1.65 0.00 0.00 177.43 175.67 1cgj h ARG 42 N 0.01 -0.40 -0.62 0.81 3.08 -1.18 0.62 114.38 116.70 1cgj h ARG 42 Ca 0.11 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1cgj h ARG 42 Cb 0.42 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1cgj h ARG 42 CO -0.00 -0.08 0.41 -0.22 -1.07 0.00 0.00 179.97 179.01 1cgj h LYS 43 N -0.95 0.81 0.00 0.04 3.64 -1.16 -2.55 116.57 116.40 1cgj h LYS 43 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1cgj h LYS 43 Cb 0.50 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1cgj h LYS 43 CO 0.07 0.54 -0.49 0.00 -2.27 0.00 0.00 179.45 177.30 1cgj h ARG 44 N 0.84 0.00 -5.87 1.90 3.08 -1.50 -3.48 114.38 109.35 1cgj h ARG 44 Ca 0.23 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.90 1cgj h ARG 44 Cb -0.10 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.07 1cgj h ARG 44 CO -0.05 0.00 -0.81 1.04 -1.07 0.00 0.00 179.97 179.08 1cgj n GLN 45 N -2.22 -5.21 -4.26 0.04 6.02 0.54 -4.96 117.38 107.34 1cgj n GLN 45 Ca 0.04 0.72 -0.26 0.00 -0.01 0.00 0.00 57.00 57.49 1cgj n GLN 45 Cb 0.45 -5.46 -0.08 0.00 1.02 0.00 0.00 30.24 26.18 1cgj n GLN 45 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1cgj s THR 46 N -3.52 2.12 -0.34 5.09 -4.23 0.18 -4.99 115.64 109.95 1cgj s THR 46 Ca 0.06 -1.77 0.14 0.00 -1.18 0.00 0.00 61.69 58.94 1cgj s THR 46 Cb -0.01 -2.89 0.45 0.00 1.34 0.00 0.00 72.50 71.40 1cgj s THR 46 CO 0.78 0.00 1.03 -0.24 -0.54 0.00 0.00 174.62 175.64 1cgj n SER 47 N -1.22 2.58 -4.73 3.99 2.88 -1.26 -4.60 113.62 111.26 1cgj n SER 47 Ca -0.03 -2.98 -0.41 0.00 -1.33 0.00 0.00 58.87 54.12 1cgj n SER 47 Cb 0.65 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1cgj n SER 47 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1cgj s ILE 48 N -3.97 3.18 0.49 2.46 -1.09 -1.26 -5.04 121.20 115.96 1cgj s ILE 48 Ca 0.34 0.95 0.08 0.00 -2.23 0.00 0.00 60.65 59.79 1cgj s ILE 48 Cb 0.42 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.72 1cgj s ILE 48 CO -0.03 0.13 0.51 -0.76 -1.23 0.00 0.00 174.94 173.56 1cgj s LEU 49 N 0.05 3.18 -0.32 2.97 1.43 -1.26 -4.62 118.68 120.10 1cgj s LEU 49 Ca 0.58 -0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 1cgj s LEU 49 Cb -0.37 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1cgj s LEU 49 CO 0.37 -0.95 0.43 -0.63 0.23 0.00 0.00 176.35 175.81 1cgj s ILE 50 N -2.58 5.11 -0.03 -0.59 1.01 0.18 0.18 121.20 124.47 1cgj s ILE 50 Ca 0.49 0.36 -0.22 0.00 0.00 0.00 0.00 60.65 61.27 1cgj s ILE 50 Cb -0.04 -3.84 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 1cgj s ILE 50 CO 0.29 -0.06 0.99 -0.61 0.00 0.00 0.00 174.94 175.56 1cgj h GLN 51 N 8.35 -0.25 -2.77 2.79 4.15 -0.07 -3.36 115.11 123.96 1cgj h GLN 51 Ca -0.29 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.05 1cgj h GLN 51 Cb 1.14 0.06 -0.19 0.00 0.21 0.00 0.00 27.48 28.70 1cgj h GLN 51 CO 0.71 0.16 -0.11 -1.59 -1.93 0.00 0.00 178.83 176.06 1cgj s LYS 52 N -3.80 0.83 0.85 1.69 -2.85 -1.22 -4.85 119.74 110.38 1cgj s LYS 52 Ca -0.13 -0.12 -0.12 0.00 -1.00 0.00 0.00 55.97 54.59 1cgj s LYS 52 Cb 0.01 0.38 0.10 0.00 -2.06 0.00 0.00 37.83 36.26 1cgj s LYS 52 CO 0.51 -0.25 1.18 -1.54 0.10 0.00 0.00 175.35 175.34 1cgj s SER 53 N -1.46 4.15 0.02 0.03 1.04 -1.26 -1.23 113.70 114.99 1cgj s SER 53 Ca -0.11 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1cgj s SER 53 Cb -0.03 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1cgj s SER 53 CO 0.04 -2.13 0.00 0.61 0.98 0.00 0.00 173.24 172.74 1cgj n GLY 54 N -3.08 -1.58 3.67 7.32 0.00 0.54 -4.69 105.19 107.37 1cgj n GLY 54 Ca 0.08 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1cgj n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cgj s PRO 55 N -1.48 0.94 0.00 1.61 0.02 -1.26 -2.38 135.00 132.45 1cgj s PRO 55 Ca 0.00 1.12 0.27 0.00 0.02 0.00 0.00 61.00 62.41 1cgj s PRO 55 Cb 0.00 -1.75 1.62 0.00 0.02 0.00 0.00 34.50 34.39 1cgj s PRO 55 CO 0.00 -2.54 1.97 0.00 -0.33 0.00 0.00 177.00 176.10