#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgd s ASP 7 N 0.00 4.94 -0.32 6.55 -1.08 -1.26 -5.04 116.67 120.46 1sgd s ASP 7 Ca 0.00 -0.19 0.09 0.00 -0.52 0.00 0.00 52.55 51.94 1sgd s ASP 7 Cb 0.00 -1.85 0.65 0.00 -1.46 0.00 0.00 42.92 40.25 1sgd s ASP 7 CO 0.00 0.05 1.70 0.00 0.52 0.00 0.00 175.17 177.44 1sgd h SER 9 N 1.82 0.37 0.00 0.00 4.64 -1.97 -2.61 113.55 115.79 1sgd h SER 9 Ca 0.29 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1sgd h SER 9 Cb 2.17 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1sgd h SER 9 CO 0.66 0.66 0.00 -0.62 -0.87 0.00 0.00 176.83 176.66 1sgd n GLU 10 N -4.10 0.80 -4.17 4.77 4.71 -1.26 -4.75 120.64 116.64 1sgd n GLU 10 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.92 1sgd n GLU 10 Cb 0.42 -1.07 -0.06 0.00 -1.01 0.00 0.00 31.44 29.72 1sgd n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1sgd s TYR 11 N -1.83 2.83 0.74 -0.32 1.51 -0.99 -4.51 117.35 114.79 1sgd s TYR 11 Ca 0.00 -0.23 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 1sgd s TYR 11 Cb 0.00 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1sgd s TYR 11 CO 0.00 0.50 1.10 -1.25 -1.11 0.00 0.00 175.55 174.79 1sgd s PRO 12 N -3.78 2.55 -0.02 -1.71 0.04 -1.26 -5.05 135.00 125.78 1sgd s PRO 12 Ca 0.34 0.53 0.07 0.00 0.04 0.00 0.00 61.00 61.98 1sgd s PRO 12 Cb -0.06 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1sgd s PRO 12 CO 0.22 -1.27 -0.23 0.15 0.04 0.00 0.00 177.00 175.92 1sgd s LYS 13 N -5.28 1.84 0.43 4.56 1.02 -1.26 -5.04 119.74 116.01 1sgd s LYS 13 Ca 0.59 -0.82 0.28 0.00 0.02 0.00 0.00 55.97 56.04 1sgd s LYS 13 Cb -0.12 -1.79 0.90 0.00 -0.52 0.00 0.00 37.83 36.31 1sgd s LYS 13 CO 0.53 0.49 1.80 -1.00 -0.92 0.00 0.00 175.35 176.24 1sgd h PRO 14 N 5.55 0.00 -3.40 -1.68 0.13 -2.02 -3.45 132.00 127.13 1sgd h PRO 14 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 1sgd h PRO 14 Cb 1.13 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.07 1sgd h PRO 14 CO 0.47 0.00 -0.38 0.00 -0.23 0.00 0.00 178.00 177.87 1sgd s ALA 15 N -3.39 -0.48 0.03 -0.56 0.00 -1.26 -5.15 121.76 110.94 1sgd s ALA 15 Ca 0.05 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1sgd s ALA 15 Cb 0.08 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1sgd s ALA 15 CO 0.57 -0.30 -0.16 0.00 0.00 0.00 0.00 175.76 175.86 1sgd s THR 17 N -0.72 3.14 -0.47 0.00 -4.23 -1.26 -4.98 115.64 107.11 1sgd s THR 17 Ca 0.04 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.95 1sgd s THR 17 Cb -0.08 -2.95 0.47 0.00 1.34 0.00 0.00 72.50 71.28 1sgd s THR 17 CO 0.01 -0.48 1.64 0.47 -0.54 0.00 0.00 174.62 175.71 1sgd n ASP 18 N -3.57 5.97 -4.88 3.99 8.00 -1.26 -4.92 116.55 119.89 1sgd n ASP 18 Ca 0.08 -3.77 -0.30 0.00 0.71 0.00 0.00 54.79 51.51 1sgd n ASP 18 Cb 0.55 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 1sgd n ASP 18 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1sgd s GLU 19 N -3.67 3.69 -0.27 -1.24 1.03 -1.26 -5.04 118.70 111.95 1sgd s GLU 19 Ca 0.57 0.55 -0.07 0.00 0.03 0.00 0.00 54.97 56.05 1sgd s GLU 19 Cb 0.46 -2.26 -0.01 0.00 -0.80 0.00 0.00 34.13 31.52 1sgd s GLU 19 CO 0.01 -0.27 0.07 -0.47 -1.33 0.00 0.00 175.26 173.28 1sgd s TYR 20 N -2.74 3.10 -0.38 4.83 5.04 -1.26 -4.53 117.35 121.41 1sgd s TYR 20 Ca 0.52 -0.70 0.04 0.00 -2.44 0.00 0.00 57.07 54.48 1sgd s TYR 20 Cb -0.10 -2.24 0.16 0.00 0.35 0.00 0.00 41.96 40.12 1sgd s TYR 20 CO 0.41 -0.47 0.40 1.03 -1.34 0.00 0.00 175.55 175.58 1sgd s ARG 21 N 1.56 0.68 0.55 4.97 0.52 0.30 -5.02 118.95 122.51 1sgd s ARG 21 Ca 0.05 -0.91 -0.18 0.00 -0.52 0.00 0.00 55.73 54.16 1sgd s ARG 21 Cb -0.16 -0.70 -0.05 0.00 0.52 0.00 0.00 34.95 34.56 1sgd s ARG 21 CO 0.03 -1.21 1.07 -1.25 0.02 0.00 0.00 175.30 173.95 1sgd s PRO 22 N 1.35 3.44 0.04 3.54 0.04 -1.23 -3.92 135.00 138.27 1sgd s PRO 22 Ca 0.18 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.63 1sgd s PRO 22 Cb -0.14 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1sgd s PRO 22 CO -0.03 -0.73 -0.16 -0.51 0.04 0.00 0.00 177.00 175.61 1sgd s LEU 23 N -4.05 2.18 -0.35 -3.56 1.43 -0.08 -0.57 118.68 113.68 1sgd s LEU 23 Ca 0.67 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1sgd s LEU 23 Cb -0.18 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.37 1sgd s LEU 23 CO 0.29 0.06 0.17 0.00 0.23 0.00 0.00 176.35 177.10 1sgd s GLY 25 N 1.51 1.62 0.00 0.00 0.00 -0.76 -0.42 107.32 109.28 1sgd s GLY 25 Ca 0.01 -0.23 0.19 0.00 0.00 0.00 0.00 44.72 44.69 1sgd s GLY 25 CO 0.05 0.18 1.55 -1.14 0.00 0.00 0.00 173.10 173.74 1sgd n SER 26 N -3.34 0.00 -1.14 1.64 3.41 0.10 -1.75 113.62 112.54 1sgd n SER 26 Ca 0.07 -0.21 0.10 0.00 -0.26 0.00 0.00 58.87 58.58 1sgd n SER 26 Cb 0.56 -0.18 0.28 0.00 -0.26 0.00 0.00 64.21 64.61 1sgd n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sgd n ASP 27 N -1.18 3.33 -0.80 4.04 5.68 -1.26 -4.89 116.55 121.46 1sgd n ASP 27 Ca 0.11 -1.99 -0.10 0.00 -0.50 0.00 0.00 54.79 52.30 1sgd n ASP 27 Cb 0.12 -0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 39.65 1sgd n ASP 27 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sgd n ASN 28 N 1.33 -4.62 -4.75 -1.12 3.02 -0.71 -4.99 115.26 103.42 1sgd n ASN 28 Ca 0.21 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.65 1sgd n ASN 28 Cb 0.53 -3.04 -0.07 0.00 -0.61 0.00 0.00 39.78 36.59 1sgd n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1sgd s LYS 29 N -2.73 4.17 -0.24 3.52 2.20 -1.26 -4.88 119.74 120.51 1sgd s LYS 29 Ca 0.00 0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.40 1sgd s LYS 29 Cb 0.00 -3.39 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1sgd s LYS 29 CO 0.00 0.31 1.23 0.99 -0.36 0.00 0.00 175.35 177.52 1sgd s THR 30 N 0.24 4.30 -0.11 3.43 2.01 -1.26 -1.82 115.64 122.43 1sgd s THR 30 Ca 0.16 1.53 -0.18 0.00 0.31 0.00 0.00 61.69 63.51 1sgd s THR 30 Cb -0.13 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1sgd s THR 30 CO 0.04 -0.31 0.48 -0.31 -0.69 0.00 0.00 174.62 173.83 1sgd s TYR 31 N 3.82 3.53 0.47 4.92 1.51 0.88 -4.94 117.35 127.54 1sgd s TYR 31 Ca 0.53 0.91 0.24 0.00 -1.01 0.00 0.00 57.07 57.74 1sgd s TYR 31 Cb -0.18 -2.55 1.43 0.00 -0.11 0.00 0.00 41.96 40.55 1sgd s TYR 31 CO 0.17 0.19 2.10 0.78 -1.11 0.00 0.00 175.55 177.68 1sgd h GLY 32 N 6.60 0.00 -2.39 0.71 0.00 -1.88 -0.18 103.07 105.93 1sgd h GLY 32 Ca -0.42 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.12 1sgd h GLY 32 CO 0.75 0.00 0.54 0.54 0.00 0.00 0.00 176.54 178.37 1sgd s ASN 33 N -6.40 -0.15 0.28 0.19 2.20 -1.25 -0.54 114.94 109.27 1sgd s ASN 33 Ca -0.04 -0.37 -0.03 0.00 -0.94 0.00 0.00 52.86 51.49 1sgd s ASN 33 Cb 0.14 0.43 0.39 0.00 -2.00 0.00 0.00 41.25 40.22 1sgd s ASN 33 CO 0.61 -0.81 1.94 0.50 -2.94 0.00 0.00 177.10 176.40 1sgd h LYS 34 N 2.00 1.16 -0.64 3.55 3.64 -1.89 -1.81 116.57 122.58 1sgd h LYS 34 Ca -0.25 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1sgd h LYS 34 Cb 1.23 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1sgd h LYS 34 CO 0.26 0.77 0.14 0.00 -2.27 0.00 0.00 179.45 178.35 1sgd h ASN 36 N 0.96 0.75 -0.28 0.00 -0.26 -1.81 -1.58 115.58 113.36 1sgd h ASN 36 Ca 0.20 -0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1sgd h ASN 36 Cb 0.39 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1sgd h ASN 36 CO 0.01 0.84 0.06 0.15 -1.06 0.00 0.00 177.43 177.42 1sgd h PHE 37 N 0.64 0.48 -0.45 1.19 3.57 -1.07 -1.89 116.94 119.42 1sgd h PHE 37 Ca 0.14 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1sgd h PHE 37 Cb 0.41 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1sgd h PHE 37 CO 0.03 0.54 0.09 0.00 -2.23 0.00 0.00 178.31 176.74 1sgd h ASN 39 N 0.67 0.10 -0.41 0.00 2.35 -0.86 -2.26 115.58 115.17 1sgd h ASN 39 Ca 0.15 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1sgd h ASN 39 Cb 0.28 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1sgd h ASN 39 CO 0.00 0.47 0.07 0.00 -1.65 0.00 0.00 177.43 176.33 1sgd h ALA 40 N 1.53 0.54 -0.39 -0.83 0.00 -0.47 -1.10 119.26 118.55 1sgd h ALA 40 Ca 0.01 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1sgd h ALA 40 Cb 0.71 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1sgd h ALA 40 CO 0.05 0.25 0.06 0.28 0.00 0.00 0.00 179.25 179.89 1sgd h VAL 41 N 0.53 0.78 -0.37 0.00 2.07 -0.99 0.01 116.25 118.28 1sgd h VAL 41 Ca 0.13 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1sgd h VAL 41 Cb 0.36 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1sgd h VAL 41 CO 0.01 0.03 0.22 0.58 0.02 0.00 0.00 177.57 178.43 1sgd h VAL 42 N 0.18 1.12 0.00 2.57 2.07 -1.17 -1.01 116.25 120.01 1sgd h VAL 42 Ca 0.19 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1sgd h VAL 42 Cb 0.23 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1sgd h VAL 42 CO -0.26 0.12 -0.15 -0.08 0.02 0.00 0.00 177.57 177.22 1sgd h GLU 43 N 0.48 0.00 -0.13 1.57 4.81 -0.76 0.10 114.58 120.65 1sgd h GLU 43 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1sgd h GLU 43 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1sgd h GLU 43 CO -0.03 0.15 0.00 -1.13 -0.73 0.00 0.00 179.01 177.28 1sgd n SER 44 N -3.81 1.15 -3.67 1.04 3.41 -0.05 -4.91 113.62 106.78 1sgd n SER 44 Ca -0.02 -1.67 -0.26 0.00 -0.26 0.00 0.00 58.87 56.66 1sgd n SER 44 Cb 0.25 -0.08 0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1sgd n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sgd n ASN 45 N 0.00 -5.96 0.00 4.04 5.15 0.35 -2.01 115.26 116.83 1sgd n ASN 45 Ca 0.14 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.52 1sgd n ASN 45 Cb 0.24 -4.71 0.00 0.00 -0.53 0.00 0.00 39.78 34.78 1sgd n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sgd n GLY 46 N -1.91 0.75 0.14 8.20 0.00 -0.44 -4.94 105.19 106.98 1sgd n GLY 46 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1sgd n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sgd h THR 47 N 0.00 0.63 -3.46 2.61 2.02 -1.59 -3.45 112.91 109.68 1sgd h THR 47 Ca 0.00 -1.96 -0.53 0.00 0.77 0.00 0.00 66.41 64.69 1sgd h THR 47 Cb 0.00 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1sgd h THR 47 CO 0.00 0.36 0.38 -0.22 0.37 0.00 0.00 175.52 176.41 1sgd s LEU 48 N -6.22 4.42 0.44 2.58 2.96 -1.26 -5.04 118.68 116.56 1sgd s LEU 48 Ca 0.03 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.72 1sgd s LEU 48 Cb 0.08 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 1sgd s LEU 48 CO 0.75 -0.20 0.08 0.42 -1.32 0.00 0.00 176.35 176.08 1sgd s THR 49 N 0.64 1.86 -0.16 3.68 -4.23 -1.26 -4.82 115.64 111.35 1sgd s THR 49 Ca 0.51 -1.89 -0.20 0.00 -1.18 0.00 0.00 61.69 58.92 1sgd s THR 49 Cb -0.22 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1sgd s THR 49 CO 0.29 0.00 0.59 -0.22 -0.54 0.00 0.00 174.62 174.73 1sgd s LEU 50 N -3.84 4.20 -0.14 4.79 2.96 -1.26 0.03 118.68 125.42 1sgd s LEU 50 Ca 0.30 0.86 -0.18 0.00 -0.22 0.00 0.00 54.13 54.88 1sgd s LEU 50 Cb 0.06 -2.84 -0.16 0.00 0.50 0.00 0.00 46.19 43.75 1sgd s LEU 50 CO 0.16 -0.17 0.36 -1.28 -1.32 0.00 0.00 176.35 174.10 1sgd h SER 51 N 7.19 0.00 -5.14 3.68 0.87 -0.96 -3.45 113.55 115.74 1sgd h SER 51 Ca -0.35 -0.54 0.24 0.00 -1.23 0.00 0.00 61.79 59.90 1sgd h SER 51 Cb 1.16 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.99 1sgd h SER 51 CO 0.76 0.94 0.68 -1.38 -0.53 0.00 0.00 176.83 177.30 1sgd s HIS 52 N -2.08 -0.13 0.45 2.24 0.00 -0.86 -5.02 115.29 109.88 1sgd s HIS 52 Ca -0.16 -0.02 -0.22 0.00 -3.00 0.00 0.00 55.06 51.66 1sgd s HIS 52 Cb 0.00 0.56 -0.08 0.00 -4.00 0.00 0.00 32.58 29.06 1sgd s HIS 52 CO 0.44 -0.45 1.06 -0.06 -1.00 0.00 0.00 174.74 174.73 1sgd s PHE 53 N -2.77 3.09 0.00 0.38 0.08 -1.26 -0.52 117.98 116.99 1sgd s PHE 53 Ca 0.11 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.76 1sgd s PHE 53 Cb 0.01 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 1sgd s PHE 53 CO -0.03 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 1sgd n GLY 54 N 0.10 -3.05 3.74 4.36 0.00 0.26 -4.73 105.19 105.88 1sgd n GLY 54 Ca 0.07 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 1sgd n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgd s LYS 55 N -0.97 2.81 0.00 1.61 1.02 -1.26 -1.90 119.74 121.05 1sgd s LYS 55 Ca 0.00 1.93 0.18 0.00 0.02 0.00 0.00 55.97 58.10 1sgd s LYS 55 Cb 0.00 -1.90 1.10 0.00 -0.52 0.00 0.00 37.83 36.50 1sgd s LYS 55 CO 0.00 -1.36 1.49 0.00 -0.92 0.00 0.00 175.35 174.57