#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gkt s ASP 7 N 0.00 6.38 -0.20 -1.34 3.68 -1.26 -4.88 116.67 119.05 2gkt s ASP 7 Ca 0.00 -0.21 0.15 0.00 2.13 0.00 0.00 52.55 54.62 2gkt s ASP 7 Cb 0.00 -2.46 0.76 0.00 -1.45 0.00 0.00 42.92 39.77 2gkt s ASP 7 CO 0.00 -1.24 1.68 0.00 0.13 0.00 0.00 175.17 175.73 2gkt h SER 9 N 3.68 0.00 -0.31 0.00 4.64 -2.00 -2.20 113.55 117.36 2gkt h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gkt h SER 9 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 2gkt h SER 9 CO 0.40 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.75 2gkt n GLU 10 N -4.31 2.62 -4.38 4.77 1.02 -1.26 -4.88 120.64 114.22 2gkt n GLU 10 Ca -0.03 -1.49 -0.24 0.00 -0.02 0.00 0.00 57.16 55.38 2gkt n GLU 10 Cb 0.10 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 29.72 2gkt n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2gkt s TYR 11 N -1.77 2.48 0.53 -0.32 1.51 -0.83 -4.53 117.35 114.43 2gkt s TYR 11 Ca 0.26 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.87 2gkt s TYR 11 Cb 0.18 -1.13 -0.07 0.00 -0.11 0.00 0.00 41.96 40.84 2gkt s TYR 11 CO 0.10 0.63 1.01 -1.25 -1.11 0.00 0.00 175.55 174.93 2gkt s PRO 12 N -3.35 3.75 -0.04 -1.71 0.04 -1.26 -5.05 135.00 127.38 2gkt s PRO 12 Ca 0.28 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.47 2gkt s PRO 12 Cb -0.06 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 2gkt s PRO 12 CO 0.16 -0.44 -0.17 0.15 0.04 0.00 0.00 177.00 176.74 2gkt s LYS 13 N -3.90 2.41 0.40 4.56 1.02 -1.26 -5.05 119.74 117.93 2gkt s LYS 13 Ca 0.62 -0.75 0.28 0.00 0.02 0.00 0.00 55.97 56.14 2gkt s LYS 13 Cb -0.13 -2.30 1.11 0.00 -0.52 0.00 0.00 37.83 35.99 2gkt s LYS 13 CO 0.30 0.61 1.83 -1.00 -0.92 0.00 0.00 175.35 176.18 2gkt h PRO 14 N 5.37 0.00 -3.93 -1.68 0.13 -2.01 -3.43 132.00 126.44 2gkt h PRO 14 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2gkt h PRO 14 Cb 1.15 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.07 2gkt h PRO 14 CO 0.50 0.00 -0.67 0.00 -0.23 0.00 0.00 178.00 177.60 2gkt s ALA 15 N -3.46 0.08 0.14 -0.56 0.00 -1.26 -5.17 121.76 111.54 2gkt s ALA 15 Ca 0.03 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 51.53 2gkt s ALA 15 Cb 0.09 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2gkt s ALA 15 CO 0.49 -0.18 -0.20 0.00 0.00 0.00 0.00 175.76 175.87 2gkt s THR 17 N -1.31 2.09 -2.22 0.00 -4.23 -1.26 -4.99 115.64 103.73 2gkt s THR 17 Ca 0.19 0.03 0.21 0.00 -1.18 0.00 0.00 61.69 60.94 2gkt s THR 17 Cb -0.10 -2.94 0.48 0.00 1.34 0.00 0.00 72.50 71.29 2gkt s THR 17 CO 0.10 -0.04 1.61 0.18 -0.54 0.00 0.00 174.62 175.93 2gkt n LEU 18 N -3.46 1.24 -4.64 4.79 4.77 -1.26 -4.94 117.00 113.50 2gkt n LEU 18 Ca 0.07 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.12 2gkt n LEU 18 Cb 0.60 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2gkt n LEU 18 CO 0.57 0.25 1.64 -0.70 -1.33 0.00 0.00 177.39 177.83 2gkt s GLU 19 N -1.85 3.85 -0.61 3.23 2.12 -1.26 -4.91 118.70 119.28 2gkt s GLU 19 Ca 0.32 2.39 -0.20 0.00 0.36 0.00 0.00 54.97 57.83 2gkt s GLU 19 Cb 0.17 -4.20 0.08 0.00 0.26 0.00 0.00 34.13 30.44 2gkt s GLU 19 CO 0.26 -1.28 0.80 -0.47 -0.54 0.00 0.00 175.26 174.02 2gkt s TYR 20 N 5.51 2.88 -0.49 5.30 5.04 -1.26 -4.53 117.35 129.81 2gkt s TYR 20 Ca 0.90 -0.74 0.06 0.00 -2.44 0.00 0.00 57.07 54.85 2gkt s TYR 20 Cb -0.39 -4.07 0.21 0.00 0.35 0.00 0.00 41.96 38.07 2gkt s TYR 20 CO 0.39 -1.40 0.49 0.54 -1.34 0.00 0.00 175.55 174.23 2gkt n ARG 21 N 6.84 0.97 -2.06 4.97 1.74 0.70 -5.02 116.66 124.82 2gkt n ARG 21 Ca -0.07 -3.62 -0.38 0.00 -0.77 0.00 0.00 57.85 53.01 2gkt n ARG 21 Cb 0.44 -1.70 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 2gkt n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2gkt s PRO 22 N -0.98 3.58 -0.05 5.56 0.04 -1.21 -3.79 135.00 138.14 2gkt s PRO 22 Ca 0.33 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 63.27 2gkt s PRO 22 Cb 0.09 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.23 2gkt s PRO 22 CO -0.14 -0.76 0.25 -0.48 0.04 0.00 0.00 177.00 175.91 2gkt s LEU 23 N -3.10 1.08 -0.33 -3.56 2.34 -0.67 -0.65 118.68 113.79 2gkt s LEU 23 Ca 0.65 0.23 -0.12 0.00 0.06 0.00 0.00 54.13 54.95 2gkt s LEU 23 Cb -0.34 0.96 -0.02 0.00 -0.56 0.00 0.00 46.19 46.23 2gkt s LEU 23 CO 0.42 -0.26 0.21 0.00 -1.06 0.00 0.00 176.35 175.66 2gkt s GLY 25 N 1.70 1.64 0.26 0.00 0.00 -0.39 -0.67 107.32 109.86 2gkt s GLY 25 Ca 0.06 -0.08 0.20 0.00 0.00 0.00 0.00 44.72 44.90 2gkt s GLY 25 CO 0.10 0.30 1.62 -1.14 0.00 0.00 0.00 173.10 173.97 2gkt n SER 26 N -3.35 0.53 -0.06 1.64 3.41 0.61 -1.19 113.62 115.22 2gkt n SER 26 Ca 0.07 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.53 2gkt n SER 26 Cb 0.55 -0.78 0.82 0.00 -0.26 0.00 0.00 64.21 64.54 2gkt n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2gkt n ASP 27 N -2.15 0.20 -1.75 4.04 5.75 -1.26 -4.94 116.55 116.43 2gkt n ASP 27 Ca 0.00 -0.79 -0.18 0.00 -0.01 0.00 0.00 54.79 53.81 2gkt n ASP 27 Cb 0.11 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.08 2gkt n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2gkt n ASN 28 N -0.95 -5.22 -4.79 -1.12 3.02 -0.33 -5.02 115.26 100.84 2gkt n ASN 28 Ca 0.20 0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 54.58 2gkt n ASN 28 Cb 0.19 -4.30 -0.06 0.00 -0.61 0.00 0.00 39.78 34.99 2gkt n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2gkt s LYS 29 N -4.26 4.03 -0.55 3.52 2.20 -1.26 -4.88 119.74 118.53 2gkt s LYS 29 Ca 0.00 0.23 -0.23 0.00 -0.36 0.00 0.00 55.97 55.62 2gkt s LYS 29 Cb 0.00 -3.32 0.05 0.00 -1.51 0.00 0.00 37.83 33.05 2gkt s LYS 29 CO 0.00 0.48 0.86 0.99 -0.36 0.00 0.00 175.35 177.31 2gkt s THR 30 N -0.31 4.51 0.38 3.43 2.01 -1.26 -1.26 115.64 123.14 2gkt s THR 30 Ca 0.20 -0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 2gkt s THR 30 Cb -0.15 -4.50 -0.09 0.00 0.01 0.00 0.00 72.50 67.78 2gkt s THR 30 CO 0.08 -1.08 1.03 -0.31 -0.69 0.00 0.00 174.62 173.65 2gkt s TYR 31 N 3.60 3.36 0.34 4.92 1.51 0.25 -4.86 117.35 126.46 2gkt s TYR 31 Ca 0.25 1.67 0.10 0.00 -1.01 0.00 0.00 57.07 58.08 2gkt s TYR 31 Cb -0.15 -3.08 0.59 0.00 -0.11 0.00 0.00 41.96 39.21 2gkt s TYR 31 CO 0.16 -0.45 1.76 0.00 -1.11 0.00 0.00 175.55 175.91 2gkt h ALA 32 N 2.65 1.25 -2.59 3.71 0.00 -1.87 -1.80 119.26 120.62 2gkt h ALA 32 Ca -0.48 -0.38 0.13 0.00 0.00 0.00 0.00 54.91 54.17 2gkt h ALA 32 Cb 1.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2gkt h ALA 32 CO 0.63 0.54 0.48 0.54 0.00 0.00 0.00 179.25 181.44 2gkt s ASN 33 N -6.90 -0.06 0.33 0.00 2.20 -1.25 -0.21 114.94 109.05 2gkt s ASN 33 Ca -0.03 -0.69 0.01 0.00 -0.94 0.00 0.00 52.86 51.21 2gkt s ASN 33 Cb 0.14 0.57 0.57 0.00 -2.00 0.00 0.00 41.25 40.53 2gkt s ASN 33 CO 0.74 -1.12 1.99 0.50 -2.94 0.00 0.00 177.10 176.28 2gkt h LYS 34 N 2.00 0.92 -0.11 3.55 3.64 -1.91 -1.41 116.57 123.25 2gkt h LYS 34 Ca -0.27 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2gkt h LYS 34 Cb 1.23 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2gkt h LYS 34 CO 0.33 0.61 0.02 0.00 -2.27 0.00 0.00 179.45 178.14 2gkt h ASN 36 N 0.06 1.03 0.24 0.00 2.35 -1.84 -1.24 115.58 116.18 2gkt h ASN 36 Ca 0.05 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2gkt h ASN 36 Cb 0.04 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.15 2gkt h ASN 36 CO -0.07 0.96 -0.11 0.15 -1.65 0.00 0.00 177.43 176.70 2gkt h PHE 37 N 1.05 -0.29 -0.47 1.19 3.57 -1.02 -2.15 116.94 118.82 2gkt h PHE 37 Ca 0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2gkt h PHE 37 Cb 0.28 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2gkt h PHE 37 CO 0.02 -0.09 0.07 0.00 -2.23 0.00 0.00 178.31 176.09 2gkt h ASN 39 N 0.70 1.11 -0.30 0.00 2.35 -1.19 -1.64 115.58 116.60 2gkt h ASN 39 Ca 0.15 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 2gkt h ASN 39 Cb 0.33 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2gkt h ASN 39 CO 0.01 0.81 -0.17 0.00 -1.65 0.00 0.00 177.43 176.42 2gkt h ALA 40 N 1.39 0.95 -0.15 -0.83 0.00 -0.61 -1.23 119.26 118.78 2gkt h ALA 40 Ca 0.35 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2gkt h ALA 40 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2gkt h ALA 40 CO -0.07 0.61 0.01 0.28 0.00 0.00 0.00 179.25 180.08 2gkt h VAL 41 N 0.67 0.92 -0.33 0.00 2.07 -0.40 0.32 116.25 119.50 2gkt h VAL 41 Ca 0.10 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2gkt h VAL 41 Cb 0.66 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2gkt h VAL 41 CO 0.05 0.01 0.19 0.58 0.02 0.00 0.00 177.57 178.42 2gkt h VAL 42 N 0.07 1.12 -0.76 2.57 2.07 -1.17 -2.51 116.25 117.64 2gkt h VAL 42 Ca 0.07 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2gkt h VAL 42 Cb 0.07 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2gkt h VAL 42 CO -0.10 0.12 0.50 -0.08 0.02 0.00 0.00 177.57 178.03 2gkt h GLU 43 N 0.42 0.94 0.00 1.57 4.81 -0.97 -1.82 114.58 119.53 2gkt h GLU 43 Ca 0.12 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2gkt h GLU 43 Cb 0.03 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2gkt h GLU 43 CO -0.02 0.62 0.00 -1.13 -0.73 0.00 0.00 179.01 177.75 2gkt n SER 44 N -4.44 0.00 -3.67 1.04 3.41 0.08 -4.87 113.62 105.17 2gkt n SER 44 Ca 0.09 0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.55 2gkt n SER 44 Cb 0.08 -0.30 0.07 0.00 -0.26 0.00 0.00 64.21 63.79 2gkt n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2gkt n ASN 45 N -1.30 -5.24 0.00 4.04 3.02 -0.68 -2.71 115.26 112.39 2gkt n ASN 45 Ca 0.07 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 2gkt n ASN 45 Cb 0.13 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.59 2gkt n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gkt n GLY 46 N -1.81 0.45 0.10 7.41 0.00 -1.01 -4.93 105.19 105.40 2gkt n GLY 46 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 2gkt n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gkt h THR 47 N 0.00 1.57 -3.42 2.61 1.35 -1.75 -3.44 112.91 109.83 2gkt h THR 47 Ca 0.00 -2.75 -0.54 0.00 -0.55 0.00 0.00 66.41 62.57 2gkt h THR 47 Cb 0.15 2.49 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 2gkt h THR 47 CO 0.00 0.79 0.32 -0.22 -0.25 0.00 0.00 175.52 176.16 2gkt s LEU 48 N -7.19 4.38 0.39 3.87 2.96 -1.26 -5.02 118.68 116.81 2gkt s LEU 48 Ca -0.00 1.60 0.05 0.00 -0.22 0.00 0.00 54.13 55.56 2gkt s LEU 48 Cb 0.11 -3.49 -0.07 0.00 0.50 0.00 0.00 46.19 43.25 2gkt s LEU 48 CO 0.79 -0.20 0.03 0.42 -1.32 0.00 0.00 176.35 176.07 2gkt s THR 49 N 0.81 1.61 -0.25 3.68 -4.23 -1.26 -4.79 115.64 111.21 2gkt s THR 49 Ca 0.49 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.83 2gkt s THR 49 Cb -0.21 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 2gkt s THR 49 CO 0.27 0.00 0.48 -0.22 -0.54 0.00 0.00 174.62 174.60 2gkt s LEU 50 N -3.64 4.07 -0.09 4.79 2.96 -1.26 -0.28 118.68 125.22 2gkt s LEU 50 Ca 0.33 0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 54.59 2gkt s LEU 50 Cb 0.09 -2.61 -0.12 0.00 0.50 0.00 0.00 46.19 44.05 2gkt s LEU 50 CO 0.16 -0.23 0.50 0.28 -1.32 0.00 0.00 176.35 175.74 2gkt h SER 51 N 7.90 -0.08 -4.89 3.68 0.02 -1.13 -3.46 113.55 115.58 2gkt h SER 51 Ca -0.31 -0.38 0.10 0.00 -0.84 0.00 0.00 61.79 60.36 2gkt h SER 51 Cb 1.15 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.59 2gkt h SER 51 CO 0.71 0.57 0.43 -1.38 -1.14 0.00 0.00 176.83 176.01 2gkt s HIS 52 N -2.37 -0.32 0.54 3.45 0.00 -1.16 -5.04 115.29 110.40 2gkt s HIS 52 Ca -0.09 0.11 -0.17 0.00 -3.00 0.00 0.00 55.06 51.90 2gkt s HIS 52 Cb -0.01 0.58 -0.06 0.00 -4.00 0.00 0.00 32.58 29.09 2gkt s HIS 52 CO 0.34 -0.71 1.03 -0.06 -1.00 0.00 0.00 174.74 174.34 2gkt s PHE 53 N -3.32 3.15 0.00 0.38 0.08 -1.26 -0.66 117.98 116.35 2gkt s PHE 53 Ca 0.06 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.63 2gkt s PHE 53 Cb -0.01 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 2gkt s PHE 53 CO -0.06 -0.78 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 2gkt n GLY 54 N -1.01 -0.63 3.76 4.36 0.00 0.18 -4.77 105.19 107.07 2gkt n GLY 54 Ca 0.08 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 2gkt n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gkt s LYS 55 N -1.17 3.29 0.00 1.61 0.00 -1.26 -2.44 119.74 119.77 2gkt s LYS 55 Ca 0.00 1.93 0.08 0.00 0.00 0.00 0.00 55.97 57.98 2gkt s LYS 55 Cb 0.00 -2.19 0.47 0.00 0.00 0.00 0.00 37.83 36.11 2gkt s LYS 55 CO 0.00 -0.98 0.92 0.00 0.00 0.00 0.00 175.35 175.29