#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgi n SER 2 N 0.00 -0.77 0.00 -2.24 3.41 -1.26 -5.18 113.62 107.58 1cgi n SER 2 Ca 0.00 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1cgi n SER 2 Cb 0.00 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1cgi n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cgi n LEU 3 N 0.00 0.00 0.00 1.04 -0.00 -1.26 -5.11 117.00 111.67 1cgi n LEU 3 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1cgi n LEU 3 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1cgi n LEU 3 CO 0.09 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.09 1cgi n GLY 4 N 0.00 0.28 0.28 1.47 0.00 -1.26 -5.10 105.19 100.87 1cgi n GLY 4 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1cgi n GLY 4 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1cgi n ARG 5 N 0.00 0.00 -3.20 1.61 0.63 -1.26 -4.10 116.66 110.34 1cgi n ARG 5 Ca 0.00 0.17 -0.38 0.00 -0.92 0.00 0.00 57.85 56.72 1cgi n ARG 5 Cb 0.00 -0.12 -0.06 0.00 0.45 0.00 0.00 32.46 32.73 1cgi n ARG 5 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1cgi s GLU 6 N -1.87 4.23 -0.03 -0.14 2.12 -1.26 0.13 118.70 121.88 1cgi s GLU 6 Ca 0.00 0.79 -0.20 0.00 0.36 0.00 0.00 54.97 55.92 1cgi s GLU 6 Cb 0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 1cgi s GLU 6 CO 0.00 0.54 0.58 0.00 -0.54 0.00 0.00 175.26 175.84 1cgi s ALA 7 N -1.27 3.48 0.02 6.30 0.00 -1.26 -4.93 121.76 124.10 1cgi s ALA 7 Ca 0.35 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1cgi s ALA 7 Cb -0.19 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1cgi s ALA 7 CO 0.21 0.13 0.03 0.15 0.00 0.00 0.00 175.76 176.28 1cgi s LYS 8 N -0.03 2.82 0.54 0.00 1.02 -1.26 -4.61 119.74 118.22 1cgi s LYS 8 Ca 0.30 -0.63 0.08 0.00 0.02 0.00 0.00 55.97 55.74 1cgi s LYS 8 Cb -0.18 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 1cgi s LYS 8 CO 0.16 0.61 0.61 0.00 -0.92 0.00 0.00 175.35 175.81 1cgi s TYR 10 N -2.65 3.12 -0.02 0.00 2.02 -1.26 -4.98 117.35 113.57 1cgi s TYR 10 Ca 0.51 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.98 1cgi s TYR 10 Cb -0.05 -2.21 -0.24 0.00 -0.40 0.00 0.00 41.96 39.06 1cgi s TYR 10 CO 0.32 -0.24 0.74 -0.97 -1.57 0.00 0.00 175.55 173.83 1cgi h ASN 11 N 7.91 0.14 0.00 2.29 -0.00 -1.98 -3.31 115.58 120.63 1cgi h ASN 11 Ca -0.37 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 55.67 1cgi h ASN 11 Cb 1.18 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.45 1cgi h ASN 11 CO 0.60 1.22 0.00 -0.62 -0.00 0.00 0.00 177.43 178.63 1cgi n GLU 12 N -3.23 0.46 -4.18 6.67 -0.58 -1.26 -4.53 120.64 113.99 1cgi n GLU 12 Ca -0.17 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.41 1cgi n GLU 12 Cb 1.03 -1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 30.37 1cgi n GLU 12 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1cgi s LEU 13 N -1.79 2.04 -0.20 -4.62 2.96 -1.25 -5.07 118.68 110.76 1cgi s LEU 13 Ca 0.17 -0.16 0.12 0.00 -0.22 0.00 0.00 54.13 54.04 1cgi s LEU 13 Cb 0.08 -0.29 0.42 0.00 0.50 0.00 0.00 46.19 46.91 1cgi s LEU 13 CO 0.13 0.04 1.21 0.59 -1.32 0.00 0.00 176.35 177.01 1cgi n ASN 14 N 2.74 1.80 -4.17 3.68 3.02 -1.26 -4.60 115.26 116.47 1cgi n ASN 14 Ca -0.14 -3.76 -0.26 0.00 -0.03 0.00 0.00 54.58 50.39 1cgi n ASN 14 Cb 0.58 -0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 39.16 1cgi n ASN 14 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1cgi s GLY 15 N -3.17 2.63 0.21 7.41 0.00 -1.26 -5.18 107.32 107.97 1cgi s GLY 15 Ca 0.38 -1.20 0.11 0.00 0.00 0.00 0.00 44.72 44.02 1cgi s GLY 15 CO -0.07 -1.86 -0.22 0.00 0.00 0.00 0.00 173.10 170.95 1cgi s THR 17 N -2.03 4.58 -0.47 0.00 -4.23 -1.26 -4.99 115.64 107.25 1cgi s THR 17 Ca 0.23 1.09 0.06 0.00 -1.18 0.00 0.00 61.69 61.89 1cgi s THR 17 Cb -0.06 -3.68 0.46 0.00 1.34 0.00 0.00 72.50 70.55 1cgi s THR 17 CO 0.11 -0.51 1.32 -1.22 -0.54 0.00 0.00 174.62 173.78 1cgi n TYR 18 N -1.17 1.39 -2.83 3.99 4.01 -1.26 -4.98 117.16 116.31 1cgi n TYR 18 Ca 0.05 -0.67 -0.33 0.00 -0.16 0.00 0.00 57.90 56.79 1cgi n TYR 18 Cb 0.54 -0.43 -0.07 0.00 -0.31 0.00 0.00 39.34 39.07 1cgi n TYR 18 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1cgi s GLU 19 N -2.00 4.20 -0.66 -0.72 -1.05 -1.26 -5.03 118.70 112.18 1cgi s GLU 19 Ca 0.32 1.07 -0.16 0.00 -0.15 0.00 0.00 54.97 56.06 1cgi s GLU 19 Cb 0.25 -2.20 0.16 0.00 -0.44 0.00 0.00 34.13 31.90 1cgi s GLU 19 CO 0.08 -0.02 0.65 -0.47 0.95 0.00 0.00 175.26 176.45 1cgi s TYR 20 N -2.18 3.38 -0.45 4.83 5.04 -1.26 -4.55 117.35 122.16 1cgi s TYR 20 Ca 0.61 -1.48 0.07 0.00 -2.44 0.00 0.00 57.07 53.83 1cgi s TYR 20 Cb -0.09 -3.86 0.23 0.00 0.35 0.00 0.00 41.96 38.59 1cgi s TYR 20 CO 0.14 -1.07 0.53 0.54 -1.34 0.00 0.00 175.55 174.35 1cgi n ARG 21 N 5.03 0.99 -1.45 4.97 1.74 0.56 -5.00 116.66 123.51 1cgi n ARG 21 Ca -0.02 -3.52 -0.39 0.00 -0.77 0.00 0.00 57.85 53.15 1cgi n ARG 21 Cb 0.43 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1cgi n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1cgi n PRO 22 N 1.55 0.49 -3.85 5.56 -0.04 -0.98 -3.57 135.00 134.16 1cgi n PRO 22 Ca 0.24 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1cgi n PRO 22 Cb 0.49 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 1cgi n PRO 22 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cgi s VAL 23 N -1.69 -0.01 -0.38 0.52 -7.23 -0.67 -1.57 120.40 109.37 1cgi s VAL 23 Ca 0.66 0.04 -0.18 0.00 -1.81 0.00 0.00 61.98 60.70 1cgi s VAL 23 Cb -0.48 -0.03 0.00 0.00 0.56 0.00 0.00 36.38 36.43 1cgi s VAL 23 CO 0.56 0.02 0.48 0.00 -0.31 0.00 0.00 175.10 175.84 1cgi s GLY 25 N 1.80 1.69 0.00 0.00 0.00 0.10 0.57 107.32 111.48 1cgi s GLY 25 Ca 0.16 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 44.89 1cgi s GLY 25 CO 0.14 0.23 1.07 -1.30 0.00 0.00 0.00 173.10 173.24 1cgi n THR 26 N -2.73 1.16 0.12 0.90 -2.24 0.16 -1.47 114.28 110.18 1cgi n THR 26 Ca 0.06 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 62.22 1cgi n THR 26 Cb 0.54 -1.20 0.02 0.00 -2.10 0.00 0.00 70.33 67.59 1cgi n THR 26 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1cgi h ASP 27 N 0.00 0.00 0.00 3.42 2.03 -1.93 -3.48 116.42 116.47 1cgi h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1cgi h ASP 27 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1cgi h ASP 27 CO 0.00 0.13 0.00 0.61 -1.03 0.00 0.00 179.24 178.95 1cgi n GLY 28 N 1.20 1.00 3.57 7.15 0.00 -0.54 -5.10 105.19 112.47 1cgi n GLY 28 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1cgi n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cgi s ASP 29 N -2.00 4.32 -0.10 1.61 1.11 -1.25 -4.92 116.67 115.44 1cgi s ASP 29 Ca 0.00 -0.45 -0.22 0.00 0.18 0.00 0.00 52.55 52.06 1cgi s ASP 29 Cb 0.00 -0.78 -0.04 0.00 1.07 0.00 0.00 42.92 43.17 1cgi s ASP 29 CO 0.00 0.16 0.63 -0.89 1.18 0.00 0.00 175.17 176.25 1cgi s THR 30 N -1.33 5.08 -0.11 -1.27 2.01 -1.26 0.02 115.64 118.78 1cgi s THR 30 Ca 0.22 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.51 1cgi s THR 30 Cb -0.10 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1cgi s THR 30 CO 0.14 0.24 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.83 1cgi s TYR 31 N 0.96 2.70 0.57 4.92 1.51 -0.41 -4.98 117.35 122.62 1cgi s TYR 31 Ca 0.33 -0.68 0.28 0.00 -1.01 0.00 0.00 57.07 55.99 1cgi s TYR 31 Cb -0.17 -1.76 1.48 0.00 -0.11 0.00 0.00 41.96 41.41 1cgi s TYR 31 CO 0.15 -0.21 1.96 -1.35 -1.11 0.00 0.00 175.55 174.99 1cgi h PRO 32 N 6.46 0.00 -2.67 -1.71 0.11 -1.87 -1.78 132.00 130.54 1cgi h PRO 32 Ca -0.27 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.95 1cgi h PRO 32 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1cgi h PRO 32 CO 0.52 0.00 0.50 0.54 -0.21 0.00 0.00 178.00 179.36 1cgi s ASN 33 N -5.66 0.01 0.03 -2.05 2.20 -1.23 -0.32 114.94 107.92 1cgi s ASN 33 Ca -0.05 -0.82 -0.10 0.00 -0.94 0.00 0.00 52.86 50.95 1cgi s ASN 33 Cb 0.17 0.60 -0.32 0.00 -2.00 0.00 0.00 41.25 39.70 1cgi s ASN 33 CO 0.63 -1.19 0.98 -0.08 -2.94 0.00 0.00 177.10 174.50 1cgi h GLU 34 N 2.00 0.40 -0.22 3.55 4.81 -1.85 -3.20 114.58 120.07 1cgi h GLU 34 Ca -0.29 -0.69 -0.08 0.00 -0.13 0.00 0.00 59.36 58.17 1cgi h GLU 34 Cb 1.23 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1cgi h GLU 34 CO 0.38 1.32 -0.20 0.00 -0.73 0.00 0.00 179.01 179.77 1cgi h VAL 36 N 0.36 1.22 -0.68 0.00 2.07 -1.89 0.12 116.25 117.45 1cgi h VAL 36 Ca 0.06 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1cgi h VAL 36 Cb 0.56 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1cgi h VAL 36 CO 0.04 0.27 0.28 0.25 0.02 0.00 0.00 177.57 178.43 1cgi h LEU 37 N 0.62 0.92 -0.19 2.57 5.85 -1.48 -1.39 115.31 122.22 1cgi h LEU 37 Ca 0.15 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1cgi h LEU 37 Cb 0.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1cgi h LEU 37 CO -0.01 0.83 0.13 0.00 -0.34 0.00 0.00 178.44 179.05 1cgi h PHE 39 N 0.26 0.00 0.00 0.00 0.04 -0.57 -1.13 116.94 115.54 1cgi h PHE 39 Ca 0.07 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 1cgi h PHE 39 Cb -0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1cgi h PHE 39 CO -0.06 0.10 -0.88 0.93 -0.60 0.00 0.00 178.31 177.79 1cgi h GLU 40 N 0.00 0.00 -0.15 1.51 4.39 -0.40 -2.33 114.58 117.60 1cgi h GLU 40 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1cgi h GLU 40 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1cgi h GLU 40 CO 0.01 0.61 -0.26 -0.91 -1.16 0.00 0.00 179.01 177.30 1cgi h ASN 41 N 0.00 0.49 0.74 1.42 2.35 -0.08 -2.00 115.58 118.49 1cgi h ASN 41 Ca -0.05 -0.54 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1cgi h ASN 41 Cb 1.57 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.80 1cgi h ASN 41 CO 0.08 0.93 -0.44 0.03 -1.65 0.00 0.00 177.43 176.38 1cgi h ARG 42 N 0.06 -1.06 -0.40 0.81 3.08 -1.33 1.33 114.38 116.87 1cgi h ARG 42 Ca 0.01 0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1cgi h ARG 42 Cb 0.84 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1cgi h ARG 42 CO 0.06 -0.71 -0.08 1.57 -1.07 0.00 0.00 179.97 179.74 1cgi h LYS 43 N -1.10 0.69 -0.00 0.04 2.10 -1.49 -2.74 116.57 114.07 1cgi h LYS 43 Ca -0.10 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1cgi h LYS 43 Cb 0.88 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1cgi h LYS 43 CO 0.11 0.76 -0.40 0.54 -2.00 0.00 0.00 179.45 178.46 1cgi n ARG 44 N -4.19 0.07 -3.58 0.07 1.74 -0.75 -4.96 116.66 105.06 1cgi n ARG 44 Ca 0.01 -0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 1cgi n ARG 44 Cb 0.33 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1cgi n ARG 44 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1cgi n GLN 45 N -1.43 -4.23 -4.25 5.56 1.13 0.44 -4.99 117.38 109.61 1cgi n GLN 45 Ca 0.06 0.67 -0.29 0.00 -1.94 0.00 0.00 57.00 55.51 1cgi n GLN 45 Cb 0.33 -5.24 -0.04 0.00 0.11 0.00 0.00 30.24 25.40 1cgi n GLN 45 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1cgi s THR 46 N -3.55 1.50 -0.08 5.09 -4.23 -0.05 -5.00 115.64 109.32 1cgi s THR 46 Ca 0.14 -1.71 0.23 0.00 -1.18 0.00 0.00 61.69 59.18 1cgi s THR 46 Cb -0.03 -2.20 0.44 0.00 1.34 0.00 0.00 72.50 72.05 1cgi s THR 46 CO 0.79 0.00 1.17 -0.24 -0.54 0.00 0.00 174.62 175.80 1cgi n SER 47 N -1.53 1.29 -4.61 3.99 2.88 -1.26 -4.63 113.62 109.74 1cgi n SER 47 Ca -0.09 -2.27 -0.43 0.00 -1.33 0.00 0.00 58.87 54.76 1cgi n SER 47 Cb 0.65 -0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1cgi n SER 47 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1cgi n ILE 48 N 0.10 2.14 -4.23 2.46 2.08 -1.26 -5.03 119.36 115.61 1cgi n ILE 48 Ca 0.09 -0.50 -0.24 0.00 0.56 0.00 0.00 62.75 62.66 1cgi n ILE 48 Cb 1.03 -1.12 -0.03 0.00 -0.75 0.00 0.00 39.64 38.77 1cgi n ILE 48 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1cgi n LEU 49 N 0.91 0.00 -4.49 1.39 4.77 -1.26 -4.72 117.00 113.60 1cgi n LEU 49 Ca 0.09 -2.45 -0.42 0.00 -0.03 0.00 0.00 56.01 53.20 1cgi n LEU 49 Cb 0.35 0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1cgi n LEU 49 CO 0.59 -0.44 0.04 -0.63 -1.33 0.00 0.00 177.39 175.62 1cgi s ILE 50 N -2.34 5.15 0.01 -0.08 1.01 0.34 0.36 121.20 125.66 1cgi s ILE 50 Ca 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1cgi s ILE 50 Cb -0.01 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1cgi s ILE 50 CO 0.08 -0.31 1.09 1.56 0.00 0.00 0.00 174.94 177.35 1cgi h GLN 51 N 8.64 -0.19 -3.87 2.79 4.20 -0.06 -3.35 115.11 123.27 1cgi h GLN 51 Ca -0.27 0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.28 1cgi h GLN 51 Cb 1.12 0.04 -0.21 0.00 0.30 0.00 0.00 27.48 28.73 1cgi h GLN 51 CO 0.75 -0.13 -0.65 -1.59 -0.67 0.00 0.00 178.83 176.54 1cgi s LYS 52 N -3.45 0.34 0.87 1.46 -2.85 -1.21 -4.74 119.74 110.16 1cgi s LYS 52 Ca -0.03 -0.55 -0.11 0.00 -1.00 0.00 0.00 55.97 54.27 1cgi s LYS 52 Cb 0.00 0.13 0.12 0.00 -2.06 0.00 0.00 37.83 36.02 1cgi s LYS 52 CO 0.09 -0.06 1.09 0.45 0.10 0.00 0.00 175.35 177.02 1cgi s SER 53 N -1.42 3.70 0.16 0.03 0.15 -1.26 -0.90 113.70 114.16 1cgi s SER 53 Ca -0.15 1.46 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1cgi s SER 53 Cb -0.09 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1cgi s SER 53 CO -0.00 -2.49 0.00 0.61 1.20 0.00 0.00 173.24 172.56 1cgi n GLY 54 N -1.33 -2.00 3.71 9.45 0.00 -0.61 -4.61 105.19 109.80 1cgi n GLY 54 Ca 0.07 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1cgi n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cgi s PRO 55 N -2.17 1.87 0.00 1.61 0.02 -1.26 -2.42 135.00 132.65 1cgi s PRO 55 Ca 0.00 1.72 0.22 0.00 0.02 0.00 0.00 61.00 62.96 1cgi s PRO 55 Cb 0.00 -1.81 1.31 0.00 0.02 0.00 0.00 34.50 34.02 1cgi s PRO 55 CO 0.00 -2.03 1.69 0.00 -0.33 0.00 0.00 177.00 176.33