#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 1.04 -3.71 1.12 2.07 -2.09 -3.36 116.25 111.32 3lcz h VAL 2 Ca 0.00 -0.10 -0.67 0.00 0.82 0.00 0.00 66.70 66.75 3lcz h VAL 2 Cb 0.00 0.87 -0.37 0.00 -1.52 0.00 0.00 31.29 30.27 3lcz h VAL 2 CO 0.00 0.04 -0.70 -0.63 0.02 0.00 0.00 177.57 176.30 3lcz s ILE 3 N -6.12 2.59 0.55 4.57 1.01 -1.26 -5.06 121.20 117.48 3lcz s ILE 3 Ca -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 60.65 58.59 3lcz s ILE 3 Cb 0.07 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.87 3lcz s ILE 3 CO 0.68 -0.39 0.78 0.00 0.00 0.00 0.00 174.94 176.01 3lcz s ALA 4 N 1.06 3.86 0.31 9.38 0.00 -1.26 -5.00 121.76 130.12 3lcz s ALA 4 Ca 0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 3lcz s ALA 4 Cb -0.20 -2.10 0.50 0.00 0.00 0.00 0.00 23.12 21.31 3lcz s ALA 4 CO -0.05 -0.76 1.98 1.15 0.00 0.00 0.00 175.76 178.08 3lcz h THR 5 N 0.06 1.19 0.00 0.00 2.02 -1.97 -1.93 112.91 112.27 3lcz h THR 5 Ca -0.42 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3lcz h THR 5 Cb 1.30 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3lcz h THR 5 CO 0.53 0.19 0.00 0.47 0.37 0.00 0.00 175.52 177.08 3lcz n ASP 6 N -4.42 0.00 -0.06 4.18 8.00 -1.26 -1.30 116.55 121.68 3lcz n ASP 6 Ca 0.09 0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.78 3lcz n ASP 6 Cb 0.04 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 40.84 3lcz n ASP 6 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3lcz n ASP 7 N -1.35 0.93 -0.06 -2.24 8.00 -0.74 -4.08 116.55 117.01 3lcz n ASP 7 Ca 0.11 -0.79 -0.06 0.00 0.71 0.00 0.00 54.79 54.76 3lcz n ASP 7 Cb 0.24 0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 41.87 3lcz n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3lcz n LEU 8 N -1.31 0.00 -3.76 0.64 4.77 -0.69 -4.06 117.00 112.59 3lcz n LEU 8 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 3lcz n LEU 8 Cb 0.35 0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 41.64 3lcz n LEU 8 CO 0.38 0.32 -0.08 -1.83 -1.33 0.00 0.00 177.39 174.86 3lcz s GLU 9 N -2.39 0.29 -0.09 3.23 -1.05 -0.42 -1.74 118.70 116.52 3lcz s GLU 9 Ca -0.07 0.43 0.03 0.00 -0.15 0.00 0.00 54.97 55.21 3lcz s GLU 9 Cb 0.05 0.08 -0.01 0.00 -0.44 0.00 0.00 34.13 33.80 3lcz s GLU 9 CO 0.58 -0.07 -0.18 0.95 0.95 0.00 0.00 175.26 177.49 3lcz s THR 10 N 0.48 2.66 0.09 1.83 -4.23 0.83 -4.31 115.64 112.99 3lcz s THR 10 Ca -0.03 -0.83 -0.25 0.00 -1.18 0.00 0.00 61.69 59.40 3lcz s THR 10 Cb -0.04 -2.05 -0.14 0.00 1.34 0.00 0.00 72.50 71.61 3lcz s THR 10 CO -0.03 0.56 0.55 0.35 -0.54 0.00 0.00 174.62 175.52 3lcz n THR 11 N 3.11 0.93 -2.15 3.99 -2.24 -1.26 -1.40 114.28 115.26 3lcz n THR 11 Ca -0.18 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 60.96 3lcz n THR 11 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 3lcz n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lcz h PRO 13 N 5.22 0.04 0.00 0.00 0.13 -1.93 -2.27 132.00 133.19 3lcz h PRO 13 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3lcz h PRO 13 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3lcz h PRO 13 CO 0.77 0.91 0.00 -1.71 -0.23 0.00 0.00 178.00 177.74 3lcz n ASN 14 N -3.51 0.10 0.03 1.44 5.15 -1.26 -4.60 115.26 112.60 3lcz n ASN 14 Ca -0.01 0.52 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 3lcz n ASN 14 Cb 0.84 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 3lcz n ASN 14 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3lcz n ASN 16 N -2.70 -0.09 0.00 0.00 3.02 -0.85 -4.77 115.26 109.86 3lcz n ASN 16 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3lcz n ASN 16 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.03 3.20 0.27 7.41 0.00 -1.25 -4.87 105.19 109.92 3lcz n GLY 17 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.66 1.61 4.64 -1.91 -3.42 113.55 109.81 3lcz h SER 18 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3lcz h SER 18 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3lcz h SER 18 CO 0.00 0.00 -0.41 0.61 -0.87 0.00 0.00 176.83 176.16 3lcz n GLY 19 N -1.26 -0.49 3.36 -0.77 0.00 -1.26 -4.92 105.19 99.85 3lcz n GLY 19 Ca -0.01 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.49 1.78 -0.35 1.61 0.52 -1.26 -3.16 118.95 112.59 3lcz s ARG 20 Ca 0.19 -2.05 0.13 0.00 -0.52 0.00 0.00 55.73 53.48 3lcz s ARG 20 Cb -0.10 -0.00 0.42 0.00 0.52 0.00 0.00 34.95 35.79 3lcz s ARG 20 CO 0.23 -0.57 1.35 -1.91 0.02 0.00 0.00 175.30 174.42 3lcz n GLU 21 N -0.70 1.31 0.00 3.54 2.13 -0.98 -4.16 120.64 121.78 3lcz n GLU 21 Ca 0.02 -1.95 0.00 0.00 0.66 0.00 0.00 57.16 55.89 3lcz n GLU 21 Cb 0.63 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 32.16 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 -0.88 0.00 0.00 5.31 -0.58 -1.26 -4.20 120.64 119.02 3lcz n GLU 22 Ca -0.06 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.80 3lcz n GLU 22 Cb 0.85 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.91 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 0.22 1.47 -0.44 3.49 -0.04 -1.26 -5.04 135.00 133.40 3lcz n PRO 23 Ca 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 3lcz n PRO 23 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3lcz n PRO 23 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3lcz n GLU 24 N 0.20 1.31 -2.86 0.54 1.02 -1.26 -5.09 120.64 114.51 3lcz n GLU 24 Ca 0.13 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.95 3lcz n GLU 24 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 3lcz n GLU 24 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3lcz s PRO 25 N -0.70 3.98 0.18 3.49 0.04 -1.26 -2.33 135.00 138.40 3lcz s PRO 25 Ca 0.00 0.77 -0.32 0.00 0.04 0.00 0.00 61.00 61.49 3lcz s PRO 25 Cb 0.00 -2.31 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 3lcz s PRO 25 CO 0.00 -0.01 1.61 0.00 0.04 0.00 0.00 177.00 178.63 3lcz h PRO 27 N 6.79 -0.31 -0.84 0.00 0.13 -1.93 -2.07 132.00 133.77 3lcz h PRO 27 Ca -0.43 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.82 3lcz h PRO 27 Cb 1.20 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 3lcz h PRO 27 CO 0.93 0.04 0.48 0.87 -0.23 0.00 0.00 178.00 180.09 3lcz h LYS 28 N -0.72 0.78 -0.18 0.86 1.79 -1.98 -3.01 116.57 114.11 3lcz h LYS 28 Ca -0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3lcz h LYS 28 Cb 0.49 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3lcz h LYS 28 CO 0.05 0.52 0.00 0.00 -1.08 0.00 0.00 179.45 178.94 3lcz n LEU 30 N -0.45 -0.70 0.00 0.00 4.32 -0.80 -0.98 117.00 118.38 3lcz n LEU 30 Ca 0.14 0.27 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 3lcz n LEU 30 Cb 0.61 -1.66 0.00 0.00 -1.62 0.00 0.00 43.42 40.75 3lcz n LEU 30 CO 0.08 -0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.68 3lcz n GLY 31 N -0.55 0.85 0.11 -0.72 0.00 -1.06 -4.84 105.19 98.98 3lcz n GLY 31 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 3lcz n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lcz n LYS 32 N -2.00 0.27 -1.08 1.61 5.02 -0.15 -4.48 118.16 117.34 3lcz n LYS 32 Ca 0.00 0.22 -0.03 0.00 -2.02 0.00 0.00 58.31 56.49 3lcz n LYS 32 Cb 0.00 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.18 3lcz n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lcz n GLY 33 N 1.28 0.41 2.99 0.72 0.00 -1.25 -4.87 105.19 104.48 3lcz n GLY 33 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.54 0.03 0.29 1.61 -7.23 -1.26 -2.68 120.40 109.62 3lcz s VAL 34 Ca 0.00 -0.28 0.09 0.00 -1.81 0.00 0.00 61.98 59.98 3lcz s VAL 34 Cb 0.00 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.69 3lcz s VAL 34 CO 0.00 -0.15 0.07 0.27 -0.31 0.00 0.00 175.10 174.98 3lcz s ILE 35 N -0.47 3.39 0.37 -0.62 -4.36 -0.49 -4.77 121.20 114.25 3lcz s ILE 35 Ca -0.05 -1.79 -0.24 0.00 -0.26 0.00 0.00 60.65 58.31 3lcz s ILE 35 Cb -0.03 -2.95 -0.10 0.00 1.25 0.00 0.00 42.46 40.63 3lcz s ILE 35 CO 0.00 -0.30 0.97 -0.76 0.24 0.00 0.00 174.94 175.09 3lcz s LEU 36 N -3.75 4.18 0.60 0.37 1.43 -1.26 -0.12 118.68 120.12 3lcz s LEU 36 Ca 0.34 1.84 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 3lcz s LEU 36 Cb -0.05 -4.21 0.08 0.00 0.03 0.00 0.00 46.19 42.03 3lcz s LEU 36 CO 0.21 -0.25 0.83 0.42 0.23 0.00 0.00 176.35 177.79 3lcz s THR 37 N -1.79 2.41 0.19 5.49 -4.23 -0.71 -4.77 115.64 112.23 3lcz s THR 37 Ca 0.55 -0.76 -0.12 0.00 -1.18 0.00 0.00 61.69 60.19 3lcz s THR 37 Cb -0.17 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.13 3lcz s THR 37 CO 0.21 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.13 3lcz h ALA 38 N -0.04 0.78 -0.21 3.99 0.00 -1.89 0.90 119.26 122.79 3lcz h ALA 38 Ca -0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3lcz h ALA 38 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3lcz h ALA 38 CO 0.44 0.14 0.11 0.37 0.00 0.00 0.00 179.25 180.31 3lcz h GLN 39 N 0.76 0.30 0.00 0.00 5.75 -1.90 0.25 115.11 120.26 3lcz h GLN 39 Ca 0.24 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3lcz h GLN 39 Cb -0.01 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.49 3lcz h GLN 39 CO -0.09 0.31 -0.00 0.78 -2.65 0.00 0.00 178.83 177.18 3lcz h GLY 40 N 0.22 -0.00 0.66 2.39 0.00 -1.54 -0.91 103.07 103.89 3lcz h GLY 40 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3lcz h GLY 40 CO -0.01 -0.00 0.48 0.23 0.00 0.00 0.00 176.54 177.24 3lcz h SER 41 N -0.29 0.72 -0.07 0.19 0.87 0.84 -1.50 113.55 114.32 3lcz h SER 41 Ca -0.00 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3lcz h SER 41 Cb 0.29 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3lcz h SER 41 CO 0.00 0.45 -0.09 0.74 -0.53 0.00 0.00 176.83 177.40 3lcz h THR 42 N 0.85 0.75 -0.37 2.23 2.02 -0.25 -1.02 112.91 117.12 3lcz h THR 42 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 3lcz h THR 42 Cb 0.23 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3lcz h THR 42 CO -0.19 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 175.80 3lcz h LEU 43 N -0.13 0.49 -0.53 2.58 3.38 -0.83 -2.08 115.31 118.19 3lcz h LEU 43 Ca 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3lcz h LEU 43 Cb 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3lcz h LEU 43 CO -0.14 0.49 0.31 0.25 0.09 0.00 0.00 178.44 179.43 3lcz h LEU 44 N 0.46 0.65 -0.65 1.67 5.85 -1.23 -1.39 115.31 120.68 3lcz h LEU 44 Ca 0.13 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3lcz h LEU 44 Cb 0.13 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3lcz h LEU 44 CO -0.02 0.54 0.23 -0.74 -0.34 0.00 0.00 178.44 178.12 3lcz h HIS 45 N 0.71 1.02 0.39 1.25 2.76 -1.08 -1.43 115.15 118.77 3lcz h HIS 45 Ca 0.19 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3lcz h HIS 45 Cb 0.02 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.69 3lcz h HIS 45 CO -0.02 0.81 -0.19 0.35 -1.30 0.00 0.00 177.93 177.59 3lcz h PHE 46 N 0.93 -0.48 -0.41 5.26 3.57 -1.26 -1.51 116.94 123.03 3lcz h PHE 46 Ca 0.21 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.78 3lcz h PHE 46 Cb 0.25 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 3lcz h PHE 46 CO 0.02 -0.22 0.01 0.82 -2.23 0.00 0.00 178.31 176.71 3lcz h ILE 47 N -0.66 0.70 0.00 1.41 1.08 -1.16 -1.71 117.51 117.17 3lcz h ILE 47 Ca -0.05 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3lcz h ILE 47 Cb 0.48 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3lcz h ILE 47 CO 0.09 0.02 -0.07 0.11 -0.69 0.00 0.00 178.15 177.61 3lcz h LYS 48 N 0.11 0.00 0.00 2.37 6.56 -1.21 0.57 116.57 124.98 3lcz h LYS 48 Ca 0.20 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.67 3lcz h LYS 48 Cb 0.28 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.92 3lcz h LYS 48 CO -0.33 0.07 -0.78 -0.22 -2.06 0.00 0.00 179.45 176.13 3lcz h LYS 49 N 0.00 0.00 0.00 3.15 3.64 -0.40 -3.39 116.57 119.57 3lcz h LYS 49 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lcz h LYS 49 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3lcz h LYS 49 CO 0.01 0.43 -0.70 0.72 -2.27 0.00 0.00 179.45 177.64 3lcz n HIS 50 N -3.12 0.00 0.04 1.91 8.25 -0.75 -4.34 115.22 117.21 3lcz n HIS 50 Ca -0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 3lcz n HIS 50 Cb 0.76 -0.03 0.14 0.00 1.12 0.00 0.00 29.99 31.97 3lcz n HIS 50 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3lcz n ILE 51 N -1.37 1.77 -1.71 1.59 0.13 0.19 -4.67 119.36 115.30 3lcz n ILE 51 Ca -0.00 0.56 -0.12 0.00 -1.10 0.00 0.00 62.75 62.09 3lcz n ILE 51 Cb 0.06 -1.56 -0.04 0.00 -0.84 0.00 0.00 39.64 37.26 3lcz n ILE 51 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3lcz n HIS 52 N -1.67 -0.76 -0.74 9.51 1.44 -1.26 -5.10 115.22 116.63 3lcz n HIS 52 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3lcz n HIS 52 Cb 0.01 -2.52 0.00 0.00 0.12 0.00 0.00 29.99 27.60 3lcz n HIS 52 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92