#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 0.03 -3.85 3.17 2.07 -2.09 -3.37 116.25 112.22 3lcz h VAL 2 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 3lcz h VAL 2 Cb 0.00 0.03 -0.37 0.00 -1.52 0.00 0.00 31.29 29.43 3lcz h VAL 2 CO 0.00 0.00 -0.79 -0.63 0.02 0.00 0.00 177.57 176.17 3lcz s ILE 3 N -5.72 2.20 0.32 4.57 -1.09 -1.26 -5.05 121.20 115.17 3lcz s ILE 3 Ca -0.15 -1.70 0.06 0.00 -2.23 0.00 0.00 60.65 56.64 3lcz s ILE 3 Cb 0.09 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 3lcz s ILE 3 CO 0.63 -0.08 0.42 0.00 -1.23 0.00 0.00 174.94 174.67 3lcz s ALA 4 N 1.09 4.12 0.36 9.38 0.00 -1.26 -4.95 121.76 130.50 3lcz s ALA 4 Ca -0.07 -1.46 0.11 0.00 0.00 0.00 0.00 51.96 50.55 3lcz s ALA 4 Cb -0.20 -1.60 0.89 0.00 0.00 0.00 0.00 23.12 22.21 3lcz s ALA 4 CO -0.05 0.02 1.83 1.15 0.00 0.00 0.00 175.76 178.71 3lcz h THR 5 N 1.00 0.73 0.00 0.00 2.02 -1.98 0.15 112.91 114.83 3lcz h THR 5 Ca -0.47 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3lcz h THR 5 Cb 1.25 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3lcz h THR 5 CO 0.55 0.11 -0.07 0.44 0.37 0.00 0.00 175.52 176.92 3lcz h ASP 6 N 0.61 0.00 1.84 4.18 3.32 -1.94 0.12 116.42 124.57 3lcz h ASP 6 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3lcz h ASP 6 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3lcz h ASP 6 CO -0.26 0.07 0.00 0.44 -1.72 0.00 0.00 179.24 177.77 3lcz h ASP 7 N 0.00 0.00 0.00 6.45 3.32 -1.07 -3.37 116.42 121.75 3lcz h ASP 7 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3lcz h ASP 7 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3lcz h ASP 7 CO 0.01 0.00 -1.90 0.18 -1.72 0.00 0.00 179.24 175.81 3lcz n LEU 8 N -3.01 0.00 -3.51 1.55 4.77 0.37 -4.07 117.00 113.11 3lcz n LEU 8 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3lcz n LEU 8 Cb 0.50 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3lcz n LEU 8 CO 0.33 0.01 0.51 -1.83 -1.33 0.00 0.00 177.39 175.09 3lcz s GLU 9 N -3.32 1.00 0.30 3.23 -1.05 -0.86 -2.52 118.70 115.48 3lcz s GLU 9 Ca -0.07 0.02 0.07 0.00 -0.15 0.00 0.00 54.97 54.84 3lcz s GLU 9 Cb 0.12 0.47 -0.06 0.00 -0.44 0.00 0.00 34.13 34.22 3lcz s GLU 9 CO 0.80 -0.36 -0.05 0.95 0.95 0.00 0.00 175.26 177.55 3lcz s THR 10 N -1.94 1.71 0.01 1.83 -4.23 0.21 -4.48 115.64 108.75 3lcz s THR 10 Ca -0.05 -2.12 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 3lcz s THR 10 Cb -0.00 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 3lcz s THR 10 CO 0.01 -0.25 1.47 -0.89 -0.54 0.00 0.00 174.62 174.42 3lcz s THR 11 N -2.96 3.57 0.18 3.99 2.01 -1.26 -0.96 115.64 120.20 3lcz s THR 11 Ca 0.31 0.95 -0.32 0.00 0.31 0.00 0.00 61.69 62.94 3lcz s THR 11 Cb 0.04 -3.61 -0.11 0.00 0.01 0.00 0.00 72.50 68.83 3lcz s THR 11 CO 0.13 -0.01 1.73 0.00 -0.69 0.00 0.00 174.62 175.78 3lcz n PRO 13 N 4.45 0.69 -0.11 0.00 -0.04 -1.26 -0.10 135.00 138.63 3lcz n PRO 13 Ca 0.16 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.48 3lcz n PRO 13 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 3lcz n PRO 13 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3lcz n ASN 14 N -1.06 1.29 -0.01 3.54 4.13 -1.26 -4.59 115.26 117.29 3lcz n ASN 14 Ca 0.17 -0.05 0.01 0.00 1.68 0.00 0.00 54.58 56.40 3lcz n ASN 14 Cb 0.11 0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.38 3lcz n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3lcz n ASN 16 N -0.91 -5.13 0.00 0.00 4.05 0.86 -3.62 115.26 110.52 3lcz n ASN 16 Ca 0.01 -0.89 0.00 0.00 0.45 0.00 0.00 54.58 54.15 3lcz n ASN 16 Cb 0.04 -2.04 0.00 0.00 1.23 0.00 0.00 39.78 39.01 3lcz n ASN 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3lcz n GLY 17 N -1.67 2.94 0.32 8.20 0.00 -1.23 -4.83 105.19 108.91 3lcz n GLY 17 Ca -0.28 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 0.95 -0.47 1.61 4.64 -1.85 -3.36 113.55 115.07 3lcz h SER 18 Ca 0.00 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 3lcz h SER 18 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3lcz h SER 18 CO 0.00 0.92 -0.11 0.61 -0.87 0.00 0.00 176.83 177.38 3lcz n GLY 19 N -0.76 0.47 3.30 -0.77 0.00 -1.26 -4.32 105.19 101.86 3lcz n GLY 19 Ca 0.05 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.32 2.02 -0.46 1.61 1.81 -1.26 0.49 118.95 119.83 3lcz s ARG 20 Ca 0.00 -0.92 0.07 0.00 -1.72 0.00 0.00 55.73 53.16 3lcz s ARG 20 Cb 0.00 -1.98 0.25 0.00 -0.45 0.00 0.00 34.95 32.77 3lcz s ARG 20 CO 0.00 0.54 0.58 -1.91 -0.68 0.00 0.00 175.30 173.83 3lcz n GLU 21 N 2.39 1.24 -0.14 3.54 2.13 0.55 -4.56 120.64 125.79 3lcz n GLU 21 Ca -0.16 -3.65 -0.06 0.00 0.66 0.00 0.00 57.16 53.95 3lcz n GLU 21 Cb 0.51 -1.53 -0.01 0.00 0.27 0.00 0.00 31.44 30.69 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 1.28 0.00 -0.22 5.31 4.71 -1.26 -2.95 120.64 127.51 3lcz n GLU 22 Ca 0.24 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.43 3lcz n GLU 22 Cb 0.49 -0.14 0.15 0.00 -1.01 0.00 0.00 31.44 30.94 3lcz n GLU 22 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3lcz n PRO 23 N 0.14 1.98 -4.18 3.49 -0.04 -1.26 -5.10 135.00 130.03 3lcz n PRO 23 Ca 0.02 -1.21 -0.23 0.00 -0.04 0.00 0.00 63.50 62.04 3lcz n PRO 23 Cb 0.01 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.62 2.67 0.53 0.54 0.41 -1.15 -5.09 118.70 114.99 3lcz s GLU 24 Ca 0.22 -1.17 -0.19 0.00 -0.41 0.00 0.00 54.97 53.42 3lcz s GLU 24 Cb 0.13 -2.42 -0.10 0.00 -1.78 0.00 0.00 34.13 29.96 3lcz s GLU 24 CO 0.13 0.40 0.48 -2.30 -0.49 0.00 0.00 175.26 173.48 3lcz n PRO 25 N -0.95 0.50 -1.92 0.39 -0.02 -1.26 -0.33 135.00 131.40 3lcz n PRO 25 Ca -0.08 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 3lcz n PRO 25 Cb 0.58 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 3lcz n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lcz h PRO 27 N 8.70 -0.16 -0.87 0.00 0.13 -1.88 0.35 132.00 138.26 3lcz h PRO 27 Ca -0.43 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.86 3lcz h PRO 27 Cb 1.20 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 3lcz h PRO 27 CO 0.93 -0.11 0.57 0.87 -0.23 0.00 0.00 178.00 180.03 3lcz h LYS 28 N -0.17 0.61 -0.01 0.86 1.79 -1.96 -2.86 116.57 114.84 3lcz h LYS 28 Ca 0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3lcz h LYS 28 Cb 0.20 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3lcz h LYS 28 CO -0.08 0.41 -0.20 0.00 -1.08 0.00 0.00 179.45 178.50 3lcz n LEU 30 N -0.19 -1.42 0.00 0.00 4.32 0.11 -2.56 117.00 117.27 3lcz n LEU 30 Ca 0.04 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 3lcz n LEU 30 Cb 0.22 -1.93 0.00 0.00 -1.62 0.00 0.00 43.42 40.09 3lcz n LEU 30 CO 0.12 -0.24 0.00 0.61 -1.22 0.00 0.00 177.39 176.66 3lcz n GLY 31 N -1.11 2.67 0.24 -0.72 0.00 -0.73 -4.81 105.19 100.73 3lcz n GLY 31 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 2.03 0.00 0.00 1.61 1.57 -1.71 -3.35 116.57 116.72 3lcz h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lcz h LYS 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3lcz h LYS 32 CO 0.00 0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 3lcz n GLY 33 N -1.14 0.85 3.08 3.86 0.00 -1.26 -4.74 105.19 105.84 3lcz n GLY 33 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.37 0.68 0.27 1.61 -7.23 -1.26 -0.65 120.40 110.45 3lcz s VAL 34 Ca 0.00 -1.03 0.10 0.00 -1.81 0.00 0.00 61.98 59.24 3lcz s VAL 34 Cb 0.00 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 3lcz s VAL 34 CO 0.00 -0.27 -0.05 0.27 -0.31 0.00 0.00 175.10 174.73 3lcz s ILE 35 N -1.19 3.21 0.43 -0.62 -4.36 -0.14 -4.73 121.20 113.80 3lcz s ILE 35 Ca -0.06 -2.04 -0.21 0.00 -0.26 0.00 0.00 60.65 58.08 3lcz s ILE 35 Cb -0.09 -2.71 -0.10 0.00 1.25 0.00 0.00 42.46 40.81 3lcz s ILE 35 CO 0.01 -0.38 0.97 -0.76 0.24 0.00 0.00 174.94 175.02 3lcz s LEU 36 N -3.63 3.96 0.60 0.37 1.43 -1.26 0.67 118.68 120.82 3lcz s LEU 36 Ca 0.31 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 55.18 3lcz s LEU 36 Cb -0.06 -4.48 0.05 0.00 0.03 0.00 0.00 46.19 41.73 3lcz s LEU 36 CO 0.19 -0.44 0.85 0.42 0.23 0.00 0.00 176.35 177.59 3lcz s THR 37 N -2.06 2.53 0.27 5.49 -4.23 -1.05 -4.77 115.64 111.81 3lcz s THR 37 Ca 0.62 -0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 60.50 3lcz s THR 37 Cb -0.12 -2.94 0.24 0.00 1.34 0.00 0.00 72.50 71.02 3lcz s THR 37 CO 0.16 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.16 3lcz h ALA 38 N -0.13 1.29 -0.23 3.99 0.00 -1.91 -0.19 119.26 122.10 3lcz h ALA 38 Ca -0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3lcz h ALA 38 Cb 1.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3lcz h ALA 38 CO 0.52 0.62 0.12 0.37 0.00 0.00 0.00 179.25 180.87 3lcz h GLN 39 N 1.21 0.32 -0.25 0.00 5.75 -1.92 -0.12 115.11 120.11 3lcz h GLN 39 Ca 0.32 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.81 3lcz h GLN 39 Cb -0.06 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3lcz h GLN 39 CO -0.06 0.32 0.01 0.78 -2.65 0.00 0.00 178.83 177.23 3lcz h GLY 40 N 0.24 0.25 0.86 2.39 0.00 -1.54 -1.68 103.07 103.59 3lcz h GLY 40 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.46 3lcz h GLY 40 CO -0.01 -0.04 0.38 0.23 0.00 0.00 0.00 176.54 177.09 3lcz h SER 41 N 0.09 0.61 -0.05 0.19 0.87 -0.92 -0.64 113.55 113.70 3lcz h SER 41 Ca 0.12 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3lcz h SER 41 Cb 0.15 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3lcz h SER 41 CO -0.19 0.42 -0.03 0.74 -0.53 0.00 0.00 176.83 177.24 3lcz h THR 42 N 0.74 0.90 -0.38 2.23 2.02 -0.76 -0.22 112.91 117.43 3lcz h THR 42 Ca 0.25 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 3lcz h THR 42 Cb 0.03 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3lcz h THR 42 CO -0.11 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.70 3lcz h LEU 43 N -0.04 0.67 -0.19 2.58 3.38 -1.10 -1.63 115.31 118.97 3lcz h LEU 43 Ca 0.03 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3lcz h LEU 43 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3lcz h LEU 43 CO -0.07 0.82 0.06 0.25 0.09 0.00 0.00 178.44 179.59 3lcz h LEU 44 N 0.50 0.28 -1.13 1.67 5.85 -1.12 -1.21 115.31 120.15 3lcz h LEU 44 Ca 0.11 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3lcz h LEU 44 Cb 0.48 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3lcz h LEU 44 CO 0.02 0.42 0.59 -0.74 -0.34 0.00 0.00 178.44 178.39 3lcz h HIS 45 N 0.13 1.11 0.28 1.25 2.76 -1.06 0.77 115.15 120.39 3lcz h HIS 45 Ca 0.06 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3lcz h HIS 45 Cb 0.24 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 3lcz h HIS 45 CO 0.00 0.67 -0.16 0.35 -1.30 0.00 0.00 177.93 177.49 3lcz h PHE 46 N 1.17 -0.42 0.37 5.26 3.57 -1.04 -0.52 116.94 125.33 3lcz h PHE 46 Ca 0.34 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 3lcz h PHE 46 Cb -0.05 0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3lcz h PHE 46 CO -0.00 -0.25 -0.18 0.82 -2.23 0.00 0.00 178.31 176.47 3lcz h ILE 47 N -0.42 0.65 -0.99 1.41 1.08 -0.78 -2.70 117.51 115.75 3lcz h ILE 47 Ca -0.03 -0.19 0.29 0.00 -0.39 0.00 0.00 64.86 64.55 3lcz h ILE 47 Cb 0.34 0.74 -0.14 0.00 -3.07 0.00 0.00 36.82 34.69 3lcz h ILE 47 CO 0.04 0.04 0.56 0.11 -0.69 0.00 0.00 178.15 178.20 3lcz h LYS 48 N -0.60 0.39 0.00 2.37 1.57 -0.85 0.59 116.57 120.03 3lcz h LYS 48 Ca -0.05 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3lcz h LYS 48 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3lcz h LYS 48 CO 0.08 0.25 -0.27 -0.22 -0.57 0.00 0.00 179.45 178.73 3lcz h LYS 49 N 0.40 0.00 0.00 3.15 3.64 -0.77 -3.32 116.57 119.67 3lcz h LYS 49 Ca 0.70 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 3lcz h LYS 49 Cb 1.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3lcz h LYS 49 CO -0.57 0.27 0.00 0.72 -2.27 0.00 0.00 179.45 177.60 3lcz n HIS 50 N -3.89 0.00 0.11 1.91 8.25 -0.43 -4.77 115.22 116.41 3lcz n HIS 50 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 3lcz n HIS 50 Cb 0.35 0.00 0.66 0.00 1.12 0.00 0.00 29.99 32.13 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 0.06 0.86 -3.20 1.59 6.09 0.03 -3.47 117.51 119.46 3lcz h ILE 51 Ca 0.00 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3lcz h ILE 51 Cb 0.03 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.16 3lcz h ILE 51 CO 0.00 0.00 -0.05 1.41 -3.07 0.00 0.00 178.15 176.44 3lcz n HIS 52 N -4.45 -0.32 0.00 2.19 8.25 -1.26 -5.10 115.22 114.53 3lcz n HIS 52 Ca 0.04 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3lcz n HIS 52 Cb 0.38 -1.73 0.00 0.00 1.12 0.00 0.00 29.99 29.76 3lcz n HIS 52 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13