#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cqz n LEU 27 N 0.00 0.00 0.01 1.09 -0.00 -1.26 -5.15 117.00 111.69 3cqz n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3cqz n LEU 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3cqz n LEU 27 CO 0.00 0.00 -0.36 0.29 -0.00 0.00 0.00 177.39 177.32 3cqz n LYS 28 N 0.00 0.00 -4.61 1.47 5.02 -1.19 -4.87 118.16 113.98 3cqz n LYS 28 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3cqz n LYS 28 Cb 0.00 -0.49 -0.17 0.00 -0.02 0.00 0.00 35.03 34.35 3cqz n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3cqz s TYR 29 N -2.00 1.94 0.83 2.13 1.51 -0.51 -0.92 117.35 120.33 3cqz s TYR 29 Ca 0.00 -0.85 -0.12 0.00 -1.01 0.00 0.00 57.07 55.09 3cqz s TYR 29 Cb 0.00 -1.38 0.09 0.00 -0.11 0.00 0.00 41.96 40.56 3cqz s TYR 29 CO 0.00 -0.42 1.17 0.42 -1.11 0.00 0.00 175.55 175.62 3cqz s ILE 30 N 0.81 2.00 -0.07 2.71 1.01 0.24 -0.70 121.20 127.19 3cqz s ILE 30 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.59 3cqz s ILE 30 Cb -0.16 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3cqz s ILE 30 CO 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 174.94 174.73 3cqz h ALA 32 N 6.18 -0.44 -1.51 0.00 0.00 -1.81 -3.13 119.26 118.56 3cqz h ALA 32 Ca -0.30 0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 3cqz h ALA 32 Cb 1.19 1.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.99 3cqz h ALA 32 CO 0.49 -0.89 -0.43 -1.83 0.00 0.00 0.00 179.25 176.59 3cqz s GLU 33 N -5.75 2.38 0.00 0.00 -1.05 -1.26 -4.67 118.70 108.35 3cqz s GLU 33 Ca -0.14 -1.70 0.00 0.00 -0.15 0.00 0.00 54.97 52.98 3cqz s GLU 33 Cb 0.12 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 3cqz s GLU 33 CO 0.65 -0.18 0.00 0.00 0.95 0.00 0.00 175.26 176.68 3cqz n SER 35 N 0.00 -5.21 -4.68 0.00 7.64 -1.18 -4.91 113.62 105.28 3cqz n SER 35 Ca 0.00 0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 3cqz n SER 35 Cb 0.00 -4.07 -0.03 0.00 -1.01 0.00 0.00 64.21 59.10 3cqz n SER 35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3cqz s SER 36 N -2.35 6.84 0.18 6.43 0.15 -1.26 -4.48 113.70 119.21 3cqz s SER 36 Ca 0.00 2.06 -0.30 0.00 0.70 0.00 0.00 55.95 58.41 3cqz s SER 36 Cb 0.00 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 3cqz s SER 36 CO 0.00 -0.75 1.15 -0.54 1.20 0.00 0.00 173.24 174.29 3cqz s LYS 37 N 2.82 4.54 0.22 5.44 1.02 -1.26 -2.98 119.74 129.55 3cqz s LYS 37 Ca 0.64 1.80 -0.15 0.00 0.02 0.00 0.00 55.97 58.27 3cqz s LYS 37 Cb -0.30 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 3cqz s LYS 37 CO 0.25 -0.00 0.51 -1.17 -0.92 0.00 0.00 175.35 174.01 3cqz s LEU 38 N -0.34 0.22 -0.29 3.17 0.20 0.12 -5.01 118.68 116.75 3cqz s LEU 38 Ca 0.51 -0.71 -0.15 0.00 0.69 0.00 0.00 54.13 54.47 3cqz s LEU 38 Cb -0.31 1.98 0.15 0.00 -0.43 0.00 0.00 46.19 47.58 3cqz s LEU 38 CO 0.36 -1.11 0.96 -0.55 -0.29 0.00 0.00 176.35 175.72 3cqz s SER 39 N -2.94 -0.57 -0.10 3.68 0.15 -1.26 -1.42 113.70 111.23 3cqz s SER 39 Ca 0.15 0.85 -0.21 0.00 0.70 0.00 0.00 55.95 57.44 3cqz s SER 39 Cb -0.01 1.45 0.05 0.00 -1.71 0.00 0.00 66.02 65.80 3cqz s SER 39 CO 0.03 -0.13 0.50 -0.76 1.20 0.00 0.00 173.24 174.09 3cqz s LEU 40 N 1.89 0.08 -0.29 3.45 1.43 -1.26 -4.98 118.68 119.00 3cqz s LEU 40 Ca -0.06 0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 53.43 3cqz s LEU 40 Cb -0.05 1.85 0.19 0.00 0.03 0.00 0.00 46.19 48.20 3cqz s LEU 40 CO -0.16 -0.39 1.40 -0.44 0.23 0.00 0.00 176.35 176.99 3cqz s SER 41 N -0.65 -0.06 0.00 2.29 0.01 -1.26 -4.70 113.70 109.34 3cqz s SER 41 Ca -0.07 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.29 3cqz s SER 41 Cb -0.03 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.29 3cqz s SER 41 CO 0.04 -0.03 0.78 0.54 0.41 0.00 0.00 173.24 174.99 3cqz n ARG 42 N 1.21 0.99 -3.97 12.44 1.74 -1.26 -4.79 116.66 123.02 3cqz n ARG 42 Ca -0.07 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.66 3cqz n ARG 42 Cb 0.58 -1.21 -0.12 0.00 -1.02 0.00 0.00 32.46 30.69 3cqz n ARG 42 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cqz s THR 43 N -1.58 4.30 0.00 0.55 2.01 -1.26 -4.35 115.64 115.31 3cqz s THR 43 Ca 0.00 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.81 3cqz s THR 43 Cb 0.00 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.55 3cqz s THR 43 CO 0.00 0.41 0.00 -0.67 -0.69 0.00 0.00 174.62 173.67 3cqz n ASP 44 N 4.25 0.00 -4.90 3.53 -0.08 -1.26 -4.59 116.55 113.50 3cqz n ASP 44 Ca -0.17 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.83 3cqz n ASP 44 Cb 0.52 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.01 3cqz n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3cqz s ALA 45 N -2.71 3.15 -0.96 -1.67 0.00 -1.26 -4.68 121.76 113.63 3cqz s ALA 45 Ca 0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 3cqz s ALA 45 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 3cqz s ALA 45 CO 0.00 -0.90 1.82 0.08 0.00 0.00 0.00 175.76 176.76 3cqz s VAL 46 N -3.12 3.59 0.00 0.00 1.01 -1.26 -4.85 120.40 115.77 3cqz s VAL 46 Ca 0.55 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3cqz s VAL 46 Cb -0.11 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.95 3cqz s VAL 46 CO 0.48 -1.22 0.00 -1.14 0.00 0.00 0.00 175.10 173.22 3cqz n ARG 47 N 8.82 0.00 0.00 2.72 0.63 -1.26 -4.62 116.66 122.94 3cqz n ARG 47 Ca 0.39 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 3cqz n ARG 47 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 3cqz n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cqz n GLY 52 N 0.00 0.47 3.77 0.00 0.00 -1.26 -5.02 105.19 103.15 3cqz n GLY 52 Ca 0.00 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 3cqz n GLY 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cqz s HIS 53 N -1.99 3.12 -0.38 1.61 5.65 -1.26 -4.95 115.29 117.09 3cqz s HIS 53 Ca 0.00 1.54 0.16 0.00 0.25 0.00 0.00 55.06 57.01 3cqz s HIS 53 Cb 0.00 -3.44 0.64 0.00 -1.18 0.00 0.00 32.58 28.60 3cqz s HIS 53 CO 0.00 -1.34 1.55 0.54 -0.65 0.00 0.00 174.74 174.84 3cqz n ARG 54 N 0.34 3.69 -4.02 2.88 1.74 -1.26 -2.35 116.66 117.67 3cqz n ARG 54 Ca 0.03 -2.90 -0.34 0.00 -0.77 0.00 0.00 57.85 53.87 3cqz n ARG 54 Cb 0.45 -1.95 -0.15 0.00 -1.02 0.00 0.00 32.46 29.79 3cqz n ARG 54 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cqz s ILE 55 N -2.55 2.60 0.01 0.55 1.01 -1.26 -4.82 121.20 116.73 3cqz s ILE 55 Ca 0.46 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 60.26 3cqz s ILE 55 Cb 0.35 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 3cqz s ILE 55 CO 0.14 0.37 -0.22 -0.76 0.00 0.00 0.00 174.94 174.47 3cqz s LEU 56 N 1.33 2.09 -0.08 2.97 1.43 -1.26 -2.27 118.68 122.89 3cqz s LEU 56 Ca 0.03 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3cqz s LEU 56 Cb -0.15 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 3cqz s LEU 56 CO -0.08 0.23 -0.05 -0.76 0.23 0.00 0.00 176.35 175.92 3cqz s LEU 57 N -0.80 3.27 0.20 1.79 1.43 -0.43 -4.91 118.68 119.23 3cqz s LEU 57 Ca 0.08 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 3cqz s LEU 57 Cb -0.09 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 3cqz s LEU 57 CO 0.00 0.35 1.19 -0.54 0.23 0.00 0.00 176.35 177.58 3cqz s LYS 58 N -0.73 4.51 0.61 1.70 1.02 -1.26 0.81 119.74 126.39 3cqz s LYS 58 Ca 0.11 1.88 -0.15 0.00 0.02 0.00 0.00 55.97 57.83 3cqz s LYS 58 Cb -0.11 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3cqz s LYS 58 CO 0.02 -0.05 1.05 0.00 -0.92 0.00 0.00 175.35 175.45 3cqz s ALA 59 N -0.26 2.74 0.60 5.17 0.00 -0.10 -4.75 121.76 125.17 3cqz s ALA 59 Ca 0.51 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 3cqz s ALA 59 Cb -0.33 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 3cqz s ALA 59 CO 0.38 -0.87 0.97 -2.13 0.00 0.00 0.00 175.76 174.12 3cqz n ARG 60 N -2.22 0.91 -1.76 0.00 0.63 -1.26 -4.95 116.66 108.00 3cqz n ARG 60 Ca 0.08 0.35 -0.33 0.00 -0.92 0.00 0.00 57.85 57.03 3cqz n ARG 60 Cb 0.53 -2.18 0.05 0.00 0.45 0.00 0.00 32.46 31.31 3cqz n ARG 60 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3cqz s THR 61 N -1.51 3.09 -1.33 5.15 -4.23 -1.26 -4.90 115.64 110.64 3cqz s THR 61 Ca 0.76 0.53 0.25 0.00 -1.18 0.00 0.00 61.69 62.04 3cqz s THR 61 Cb -0.42 -3.06 0.38 0.00 1.34 0.00 0.00 72.50 70.75 3cqz s THR 61 CO 0.47 -0.29 1.83 0.29 -0.54 0.00 0.00 174.62 176.37 3cqz n LYS 62 N -2.35 0.27 -0.06 3.99 4.76 -1.26 -4.22 118.16 119.30 3cqz n LYS 62 Ca 0.11 0.06 0.25 0.00 -2.87 0.00 0.00 58.31 55.86 3cqz n LYS 62 Cb 0.52 -1.50 0.72 0.00 -1.84 0.00 0.00 35.03 32.92 3cqz n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cqz h ARG 63 N 0.00 0.00 -4.32 1.97 3.08 -2.02 -3.48 114.38 109.61 3cqz h ARG 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cqz h ARG 63 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3cqz h ARG 63 CO 0.00 0.00 -0.91 -0.11 -1.07 0.00 0.00 179.97 177.88 3cqz n LEU 64 N -3.99 -5.81 -4.86 3.04 7.94 -1.26 -5.01 117.00 107.05 3cqz n LEU 64 Ca 0.14 2.31 -0.37 0.00 -1.11 0.00 0.00 56.01 56.98 3cqz n LEU 64 Cb 0.84 -2.89 -0.06 0.00 0.53 0.00 0.00 43.42 41.84 3cqz n LEU 64 CO 0.33 -2.60 -0.00 -0.69 -1.11 0.00 0.00 177.39 173.32 3cqz s VAL 65 N -0.51 5.21 -0.15 1.96 1.01 -1.26 -5.09 120.40 121.58 3cqz s VAL 65 Ca -0.04 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 3cqz s VAL 65 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3cqz s VAL 65 CO 0.11 0.52 0.11 -1.58 0.00 0.00 0.00 175.10 174.26 3cqz s GLN 66 N -1.26 3.67 0.05 2.72 0.74 -1.26 -5.11 119.66 119.20 3cqz s GLN 66 Ca 0.23 -0.21 0.09 0.00 0.05 0.00 0.00 55.36 55.52 3cqz s GLN 66 Cb -0.15 -3.21 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 3cqz s GLN 66 CO 0.12 0.57 -0.25 -0.06 -0.55 0.00 0.00 175.29 175.12 3cqz s PHE 67 N -0.45 2.22 -1.00 1.67 0.40 -1.26 -5.05 117.98 114.51 3cqz s PHE 67 Ca 0.11 -0.40 0.27 0.00 -0.60 0.00 0.00 56.93 56.30 3cqz s PHE 67 Cb -0.12 -1.32 0.80 0.00 0.51 0.00 0.00 43.02 42.89 3cqz s PHE 67 CO 0.02 0.13 1.62 -1.91 0.70 0.00 0.00 175.22 175.78 3cqz n GLU 68 N 1.74 0.00 -2.20 0.44 2.13 -1.26 -4.92 120.64 116.57 3cqz n GLU 68 Ca -0.17 -0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.45 3cqz n GLU 68 Cb 0.52 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.70 3cqz n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cqz n ALA 69 N -1.50 -0.56 0.49 4.31 0.00 -1.26 -5.40 120.51 116.60 3cqz n ALA 69 Ca 0.06 0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.76 3cqz n ALA 69 Cb 0.34 -2.08 0.05 0.00 0.00 0.00 0.00 19.45 17.75 3cqz n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04