#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lcz h VAL 2 N 0.00 1.27 -3.30 3.17 2.07 -2.09 -3.38 116.25 113.98 3lcz h VAL 2 Ca 0.00 -1.14 -0.56 0.00 0.82 0.00 0.00 66.70 65.82 3lcz h VAL 2 Cb 0.00 0.77 -0.40 0.00 -1.52 0.00 0.00 31.29 30.14 3lcz h VAL 2 CO 0.00 0.42 -0.76 -0.63 0.02 0.00 0.00 177.57 176.61 3lcz s ILE 3 N -5.05 0.86 0.57 4.57 1.01 -1.26 -5.07 121.20 116.83 3lcz s ILE 3 Ca -0.12 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.58 3lcz s ILE 3 Cb 0.14 -1.43 0.07 0.00 0.01 0.00 0.00 42.46 41.25 3lcz s ILE 3 CO 0.86 -0.37 0.78 0.00 0.00 0.00 0.00 174.94 176.22 3lcz s ALA 4 N 1.67 4.37 0.15 9.38 0.00 -1.26 -4.96 121.76 131.11 3lcz s ALA 4 Ca 0.02 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 49.96 3lcz s ALA 4 Cb -0.17 -1.68 0.06 0.00 0.00 0.00 0.00 23.12 21.33 3lcz s ALA 4 CO -0.14 -0.85 1.74 1.15 0.00 0.00 0.00 175.76 177.66 3lcz h THR 5 N 0.12 0.85 0.00 0.00 2.02 -1.98 -0.13 112.91 113.78 3lcz h THR 5 Ca -0.35 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3lcz h THR 5 Cb 1.28 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3lcz h THR 5 CO 0.43 0.04 0.00 -2.24 0.37 0.00 0.00 175.52 174.12 3lcz h ASP 6 N 0.22 0.00 1.68 4.18 3.04 -1.95 0.28 116.42 123.86 3lcz h ASP 6 Ca 0.16 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 3lcz h ASP 6 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 3lcz h ASP 6 CO -0.20 0.00 0.00 0.44 -2.04 0.00 0.00 179.24 177.44 3lcz h ASP 7 N 0.00 0.00 0.00 4.15 3.32 -1.39 -3.36 116.42 119.13 3lcz h ASP 7 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 3lcz h ASP 7 Cb 0.10 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 3lcz h ASP 7 CO 0.00 0.00 -2.24 0.18 -1.72 0.00 0.00 179.24 175.46 3lcz n LEU 8 N -2.64 0.00 -3.50 1.55 4.77 0.91 -4.23 117.00 113.86 3lcz n LEU 8 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3lcz n LEU 8 Cb 0.47 0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.96 3lcz n LEU 8 CO 0.32 0.44 0.33 -1.83 -1.33 0.00 0.00 177.39 175.32 3lcz s GLU 9 N -2.45 1.18 0.03 3.23 -1.05 -0.68 -1.42 118.70 117.54 3lcz s GLU 9 Ca -0.09 -0.45 0.01 0.00 -0.15 0.00 0.00 54.97 54.30 3lcz s GLU 9 Cb 0.05 0.54 -0.02 0.00 -0.44 0.00 0.00 34.13 34.26 3lcz s GLU 9 CO 0.74 -0.49 -0.05 0.95 0.95 0.00 0.00 175.26 177.36 3lcz s THR 10 N -3.42 0.34 0.09 1.83 -4.23 0.10 -4.34 115.64 106.01 3lcz s THR 10 Ca -0.00 -0.89 -0.36 0.00 -1.18 0.00 0.00 61.69 59.25 3lcz s THR 10 Cb -0.00 -0.43 -0.18 0.00 1.34 0.00 0.00 72.50 73.23 3lcz s THR 10 CO -0.10 -0.37 1.11 0.41 -0.54 0.00 0.00 174.62 175.14 3lcz n THR 11 N 1.72 0.42 -2.14 3.99 -1.04 -1.26 -0.72 114.28 115.24 3lcz n THR 11 Ca -0.22 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.27 3lcz n THR 11 Cb 0.55 -0.44 -0.03 0.00 -1.82 0.00 0.00 70.33 68.60 3lcz n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lcz h PRO 13 N 5.24 0.00 0.03 0.00 0.13 -1.90 -0.27 132.00 135.23 3lcz h PRO 13 Ca -0.45 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 3lcz h PRO 13 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3lcz h PRO 13 CO 0.77 0.04 -0.98 -0.91 -0.23 0.00 0.00 178.00 176.70 3lcz h ASN 14 N 0.00 0.37 -0.03 1.44 4.21 -1.98 -3.33 115.58 116.27 3lcz h ASN 14 Ca -0.00 -0.32 0.00 0.00 1.21 0.00 0.00 56.30 57.19 3lcz h ASN 14 Cb 0.95 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.04 3lcz h ASN 14 CO 0.01 1.15 0.00 0.00 -1.29 0.00 0.00 177.43 177.30 3lcz n ASN 16 N 0.08 -3.66 0.00 0.00 3.02 -0.12 -2.69 115.26 111.89 3lcz n ASN 16 Ca 0.02 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3lcz n ASN 16 Cb 0.14 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 3lcz n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lcz n GLY 17 N -0.78 1.00 0.21 7.41 0.00 -1.20 -4.87 105.19 106.96 3lcz n GLY 17 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.97 3lcz n GLY 17 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3lcz h SER 18 N 0.00 0.00 0.00 1.61 4.64 -1.79 -3.41 113.55 114.60 3lcz h SER 18 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lcz h SER 18 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3lcz h SER 18 CO 0.00 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 3lcz n GLY 19 N -0.03 0.42 3.20 -0.77 0.00 -1.26 -4.77 105.19 101.97 3lcz n GLY 19 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3lcz n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lcz s ARG 20 N -0.41 1.22 -0.43 1.61 1.81 -1.26 -0.32 118.95 121.17 3lcz s ARG 20 Ca 0.00 -0.82 0.06 0.00 -1.72 0.00 0.00 55.73 53.25 3lcz s ARG 20 Cb 0.00 -1.28 0.21 0.00 -0.45 0.00 0.00 34.95 33.44 3lcz s ARG 20 CO 0.00 0.33 0.46 -1.91 -0.68 0.00 0.00 175.30 173.49 3lcz n GLU 21 N 2.00 0.64 -1.52 3.54 2.13 -0.25 -4.53 120.64 122.66 3lcz n GLU 21 Ca -0.17 -3.34 -0.49 0.00 0.66 0.00 0.00 57.16 53.82 3lcz n GLU 21 Cb 0.54 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.71 3lcz n GLU 21 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3lcz n GLU 22 N 1.99 0.72 -0.32 5.31 -0.58 -1.26 -1.33 120.64 125.17 3lcz n GLU 22 Ca 0.25 0.25 0.03 0.00 -0.42 0.00 0.00 57.16 57.27 3lcz n GLU 22 Cb 0.49 -1.57 0.15 0.00 -0.57 0.00 0.00 31.44 29.94 3lcz n GLU 22 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3lcz n PRO 23 N 1.26 2.37 -4.23 3.49 -0.04 -1.26 -5.10 135.00 131.49 3lcz n PRO 23 Ca 0.15 -1.13 -0.23 0.00 -0.04 0.00 0.00 63.50 62.25 3lcz n PRO 23 Cb 0.24 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 3lcz n PRO 23 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3lcz s GLU 24 N -1.64 2.26 0.72 0.54 0.41 -0.44 -5.09 118.70 115.45 3lcz s GLU 24 Ca 0.20 -1.56 -0.16 0.00 -0.41 0.00 0.00 54.97 53.04 3lcz s GLU 24 Cb 0.15 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.43 3lcz s GLU 24 CO 0.06 0.20 1.24 -1.25 -0.49 0.00 0.00 175.26 175.03 3lcz s PRO 25 N -3.75 2.16 0.11 0.39 0.04 -1.26 -1.09 135.00 131.60 3lcz s PRO 25 Ca 0.35 1.88 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 3lcz s PRO 25 Cb -0.03 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 3lcz s PRO 25 CO 0.21 -1.85 1.45 0.00 0.04 0.00 0.00 177.00 176.85 3lcz h PRO 27 N 7.02 0.00 -0.09 0.00 0.13 -1.90 0.14 132.00 137.30 3lcz h PRO 27 Ca -0.42 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.54 3lcz h PRO 27 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3lcz h PRO 27 CO 0.88 0.20 -0.68 0.87 -0.23 0.00 0.00 178.00 179.04 3lcz h LYS 28 N 0.00 0.40 -0.25 0.86 1.79 -1.99 -3.24 116.57 114.14 3lcz h LYS 28 Ca -0.00 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 3lcz h LYS 28 Cb 0.76 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3lcz h LYS 28 CO 0.03 0.94 0.00 0.00 -1.08 0.00 0.00 179.45 179.34 3lcz n LEU 30 N 0.14 -2.56 0.00 0.00 4.77 -0.09 -1.62 117.00 117.63 3lcz n LEU 30 Ca 0.09 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3lcz n LEU 30 Cb 0.42 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 3lcz n LEU 30 CO 0.06 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3lcz n GLY 31 N -1.55 0.85 0.14 -0.72 0.00 -0.43 -4.86 105.19 98.62 3lcz n GLY 31 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 3lcz n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lcz h LYS 32 N 2.54 0.00 0.00 1.61 6.56 -1.54 -3.40 116.57 122.34 3lcz h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3lcz h LYS 32 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3lcz h LYS 32 CO 0.00 0.52 0.00 0.41 -2.06 0.00 0.00 179.45 178.32 3lcz n GLY 33 N 1.16 1.48 3.05 3.86 0.00 -1.26 -4.71 105.19 108.77 3lcz n GLY 33 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3lcz n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lcz s VAL 34 N -3.31 0.52 0.12 1.61 -7.23 -1.26 -0.63 120.40 110.23 3lcz s VAL 34 Ca 0.00 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 3lcz s VAL 34 Cb 0.00 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 3lcz s VAL 34 CO 0.00 -0.34 -0.05 0.27 -0.31 0.00 0.00 175.10 174.68 3lcz s ILE 35 N -1.27 3.63 0.41 -0.62 -4.36 0.10 -4.71 121.20 114.39 3lcz s ILE 35 Ca -0.09 -1.26 -0.22 0.00 -0.26 0.00 0.00 60.65 58.82 3lcz s ILE 35 Cb -0.09 -2.75 -0.11 0.00 1.25 0.00 0.00 42.46 40.76 3lcz s ILE 35 CO 0.00 0.04 0.96 -0.76 0.24 0.00 0.00 174.94 175.42 3lcz s LEU 36 N -2.47 4.03 0.79 0.37 1.43 -1.26 -0.72 118.68 120.84 3lcz s LEU 36 Ca 0.24 1.75 -0.08 0.00 -1.03 0.00 0.00 54.13 55.01 3lcz s LEU 36 Cb -0.11 -4.42 0.12 0.00 0.03 0.00 0.00 46.19 41.82 3lcz s LEU 36 CO 0.16 -0.33 1.10 0.42 0.23 0.00 0.00 176.35 177.94 3lcz s THR 37 N -2.03 2.15 0.30 5.49 -4.23 -0.51 -4.82 115.64 112.00 3lcz s THR 37 Ca 0.60 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 3lcz s THR 37 Cb -0.12 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.11 3lcz s THR 37 CO 0.16 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.21 3lcz h ALA 38 N -0.90 1.42 -0.61 3.99 0.00 -1.89 -1.01 119.26 120.26 3lcz h ALA 38 Ca -0.42 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3lcz h ALA 38 Cb 1.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3lcz h ALA 38 CO 0.48 0.53 0.09 0.37 0.00 0.00 0.00 179.25 180.73 3lcz h GLN 39 N 1.10 1.02 -0.13 0.00 5.75 -1.90 -0.50 115.11 120.44 3lcz h GLN 39 Ca 0.30 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3lcz h GLN 39 Cb -0.12 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 3lcz h GLN 39 CO -0.07 0.96 0.05 0.78 -2.65 0.00 0.00 178.83 177.90 3lcz h GLY 40 N 0.93 0.21 0.90 2.39 0.00 -1.58 -1.52 103.07 104.40 3lcz h GLY 40 Ca 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3lcz h GLY 40 CO 0.01 0.11 0.19 1.76 0.00 0.00 0.00 176.54 178.61 3lcz h SER 41 N 0.06 0.30 -0.47 0.19 0.02 -1.10 -0.38 113.55 112.17 3lcz h SER 41 Ca 0.04 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3lcz h SER 41 Cb 0.17 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 3lcz h SER 41 CO -0.00 0.22 -0.02 0.74 -1.14 0.00 0.00 176.83 176.63 3lcz h THR 42 N 0.39 0.62 -0.24 -2.27 2.02 -1.02 0.17 112.91 112.58 3lcz h THR 42 Ca 0.14 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 3lcz h THR 42 Cb 0.01 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3lcz h THR 42 CO -0.07 0.02 -0.09 -0.07 0.37 0.00 0.00 175.52 175.68 3lcz h LEU 43 N 0.09 0.49 0.16 2.58 3.38 -0.95 -1.96 115.31 119.11 3lcz h LEU 43 Ca 0.23 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3lcz h LEU 43 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3lcz h LEU 43 CO -0.41 0.77 -0.08 0.25 0.09 0.00 0.00 178.44 179.07 3lcz h LEU 44 N 0.21 -0.18 -0.48 1.67 5.85 -0.95 -2.04 115.31 119.40 3lcz h LEU 44 Ca 0.06 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3lcz h LEU 44 Cb 0.57 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 3lcz h LEU 44 CO 0.03 0.01 -0.13 0.45 -0.34 0.00 0.00 178.44 178.46 3lcz h HIS 45 N -0.37 -0.28 -0.33 1.25 3.86 -0.68 -0.32 115.15 118.28 3lcz h HIS 45 Ca -0.02 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3lcz h HIS 45 Cb 0.29 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3lcz h HIS 45 CO -0.02 -0.22 0.19 0.35 0.86 0.00 0.00 177.93 179.10 3lcz h PHE 46 N -0.01 0.36 -0.45 2.45 3.04 -1.18 -1.54 116.94 119.61 3lcz h PHE 46 Ca 0.23 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 3lcz h PHE 46 Cb 0.36 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 3lcz h PHE 46 CO -0.42 0.22 0.26 0.82 -2.02 0.00 0.00 178.31 177.17 3lcz h ILE 47 N 0.40 1.15 -0.55 1.41 1.08 -0.94 -2.71 117.51 117.34 3lcz h ILE 47 Ca 0.13 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 3lcz h ILE 47 Cb -0.00 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 3lcz h ILE 47 CO -0.06 0.15 0.19 0.11 -0.69 0.00 0.00 178.15 177.85 3lcz h LYS 48 N 0.59 0.81 0.00 2.37 1.57 -0.91 0.37 116.57 121.38 3lcz h LYS 48 Ca 0.16 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3lcz h LYS 48 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3lcz h LYS 48 CO -0.03 0.69 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.93 3lcz h LYS 49 N 0.79 0.00 0.00 3.15 3.64 -1.06 -3.19 116.57 119.89 3lcz h LYS 49 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3lcz h LYS 49 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3lcz h LYS 49 CO -0.01 0.39 -0.01 0.72 -2.27 0.00 0.00 179.45 178.27 3lcz n HIS 50 N -3.73 0.00 -0.34 1.91 8.25 -1.03 -4.81 115.22 115.46 3lcz n HIS 50 Ca -0.01 -0.53 0.12 0.00 -0.26 0.00 0.00 57.72 57.03 3lcz n HIS 50 Cb 0.47 -0.06 0.30 0.00 1.12 0.00 0.00 29.99 31.82 3lcz n HIS 50 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3lcz h ILE 51 N 0.26 0.71 -0.18 1.59 6.09 -0.26 -0.98 117.51 124.74 3lcz h ILE 51 Ca 0.00 -0.25 -0.06 0.00 -1.37 0.00 0.00 64.86 63.18 3lcz h ILE 51 Cb 0.61 -0.09 -0.03 0.00 0.47 0.00 0.00 36.82 37.78 3lcz h ILE 51 CO 0.00 0.13 0.07 1.41 -3.07 0.00 0.00 178.15 176.70 3lcz n HIS 52 N -4.80 0.59 -1.31 2.19 8.25 -1.26 -5.10 115.22 113.77 3lcz n HIS 52 Ca 0.22 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 3lcz n HIS 52 Cb 0.54 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3lcz n HIS 52 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13