#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtq n THR 26 N 0.00 -6.00 -4.25 0.00 -1.04 -1.26 -5.02 114.28 96.71 3gtq n THR 26 Ca 0.00 -0.67 -0.35 0.00 -2.04 0.00 0.00 64.05 60.98 3gtq n THR 26 Cb 0.00 -4.80 -0.09 0.00 -1.82 0.00 0.00 70.33 63.62 3gtq n THR 26 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 3gtq s LEU 27 N -6.31 3.76 -0.25 -4.42 2.34 -1.26 -5.04 118.68 107.50 3gtq s LEU 27 Ca 0.11 0.20 -0.05 0.00 0.06 0.00 0.00 54.13 54.45 3gtq s LEU 27 Cb -0.02 -1.88 -0.14 0.00 -0.56 0.00 0.00 46.19 43.59 3gtq s LEU 27 CO 0.77 0.36 -0.27 0.29 -1.06 0.00 0.00 176.35 176.44 3gtq n LYS 28 N 2.25 0.58 -3.76 1.48 5.02 -1.26 -4.85 118.16 117.63 3gtq n LYS 28 Ca -0.19 0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 3gtq n LYS 28 Cb 0.54 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 3gtq n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gtq s TYR 29 N -2.48 -0.05 0.10 2.13 1.51 -0.66 -4.27 117.35 113.63 3gtq s TYR 29 Ca -0.34 -0.22 0.08 0.00 -1.01 0.00 0.00 57.07 55.57 3gtq s TYR 29 Cb 0.11 0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 42.01 3gtq s TYR 29 CO 0.51 -0.56 -0.20 0.42 -1.11 0.00 0.00 175.55 174.61 3gtq s ILE 30 N -3.27 1.61 0.13 2.71 1.09 -0.87 -0.72 121.20 121.89 3gtq s ILE 30 Ca 0.00 -1.52 -0.17 0.00 -1.10 0.00 0.00 60.65 57.87 3gtq s ILE 30 Cb 0.02 -1.48 -0.07 0.00 -1.06 0.00 0.00 42.46 39.86 3gtq s ILE 30 CO -0.08 -0.10 0.57 0.00 -0.10 0.00 0.00 174.94 175.23 3gtq h ALA 32 N 3.88 1.14 -0.00 0.00 0.00 -1.90 -2.62 119.26 119.76 3gtq h ALA 32 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3gtq h ALA 32 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gtq h ALA 32 CO 0.65 0.24 -0.80 -1.91 0.00 0.00 0.00 179.25 177.44 3gtq n GLU 33 N -3.53 1.11 0.00 0.00 2.13 -1.26 -4.60 120.64 114.50 3gtq n GLU 33 Ca -0.01 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3gtq n GLU 33 Cb 0.35 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3gtq n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtq n SER 35 N -0.07 -2.37 -4.45 0.00 7.64 -0.99 -5.03 113.62 108.35 3gtq n SER 35 Ca 0.00 -0.52 -0.33 0.00 1.01 0.00 0.00 58.87 59.03 3gtq n SER 35 Cb 0.00 -4.44 -0.13 0.00 -1.01 0.00 0.00 64.21 58.63 3gtq n SER 35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gtq s SER 36 N -4.08 4.03 -0.51 6.43 0.15 -1.26 -4.95 113.70 113.52 3gtq s SER 36 Ca 0.04 -0.23 -0.25 0.00 0.70 0.00 0.00 55.95 56.22 3gtq s SER 36 Cb -0.02 -1.06 0.03 0.00 -1.71 0.00 0.00 66.02 63.26 3gtq s SER 36 CO 0.62 0.30 0.95 -0.54 1.20 0.00 0.00 173.24 175.77 3gtq s LYS 37 N -0.44 3.44 -0.09 5.44 1.02 -1.26 -2.88 119.74 124.97 3gtq s LYS 37 Ca 0.05 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.05 3gtq s LYS 37 Cb -0.12 -3.99 -0.01 0.00 -0.52 0.00 0.00 37.83 33.19 3gtq s LYS 37 CO 0.02 -1.37 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.39 3gtq s LEU 38 N 3.92 2.46 -0.21 3.17 1.02 0.11 -5.00 118.68 124.14 3gtq s LEU 38 Ca 0.35 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.11 3gtq s LEU 38 Cb -0.11 -1.51 0.05 0.00 0.02 0.00 0.00 46.19 44.65 3gtq s LEU 38 CO 0.23 0.22 -0.05 -0.55 0.02 0.00 0.00 176.35 176.23 3gtq s SER 39 N 0.02 3.49 0.10 2.29 0.15 -1.26 -1.66 113.70 116.82 3gtq s SER 39 Ca -0.06 -1.00 0.03 0.00 0.70 0.00 0.00 55.95 55.61 3gtq s SER 39 Cb -0.15 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.07 3gtq s SER 39 CO 0.05 -0.23 -0.08 -0.76 1.20 0.00 0.00 173.24 173.42 3gtq s LEU 40 N 1.50 2.45 0.45 3.45 1.43 -1.26 -5.08 118.68 121.62 3gtq s LEU 40 Ca -0.04 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 3gtq s LEU 40 Cb -0.18 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 45.85 3gtq s LEU 40 CO -0.07 -0.35 0.47 -0.94 0.23 0.00 0.00 176.35 175.69 3gtq s SER 41 N -2.68 5.13 0.00 2.29 1.04 -1.26 -4.99 113.70 113.22 3gtq s SER 41 Ca 0.08 -0.76 -0.00 0.00 0.48 0.00 0.00 55.95 55.75 3gtq s SER 41 Cb 0.00 -0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 3gtq s SER 41 CO -0.02 -0.82 0.91 -2.11 0.98 0.00 0.00 173.24 172.19 3gtq n ARG 42 N -1.72 0.44 0.00 4.02 -4.01 -1.26 -1.37 116.66 112.76 3gtq n ARG 42 Ca 0.05 -0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 3gtq n ARG 42 Cb 0.61 -1.37 0.00 0.00 -3.04 0.00 0.00 32.46 28.67 3gtq n ARG 42 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 3gtq n THR 43 N 1.96 0.00 -3.02 8.89 -1.04 -1.26 -4.87 114.28 114.93 3gtq n THR 43 Ca 0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 3gtq n THR 43 Cb 0.22 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3gtq n THR 43 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3gtq n ASP 44 N -1.09 6.26 0.33 8.00 2.03 -0.47 -4.93 116.55 126.67 3gtq n ASP 44 Ca 0.00 -3.43 0.13 0.00 0.52 0.00 0.00 54.79 52.01 3gtq n ASP 44 Cb 0.15 -1.22 0.67 0.00 -0.72 0.00 0.00 41.12 40.00 3gtq n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gtq h ALA 45 N 5.29 1.43 -2.35 -1.67 0.00 -1.90 -3.43 119.26 116.63 3gtq h ALA 45 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gtq h ALA 45 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gtq h ALA 45 CO 1.30 -0.43 0.00 1.55 0.00 0.00 0.00 179.25 181.67 3gtq n VAL 46 N -2.79 0.00 -0.14 0.00 3.14 -1.26 -5.10 118.33 112.18 3gtq n VAL 46 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3gtq n VAL 46 Cb 0.47 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.25 3gtq n VAL 46 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3gtq n ARG 47 N 0.00 -0.36 -4.31 1.45 0.63 -1.26 -5.05 116.66 107.76 3gtq n ARG 47 Ca 0.00 0.28 -0.24 0.00 -0.92 0.00 0.00 57.85 56.97 3gtq n ARG 47 Cb 0.00 -0.36 -0.08 0.00 0.45 0.00 0.00 32.46 32.47 3gtq n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gtq s LYS 49 N -3.39 3.24 0.00 0.00 -0.14 -1.26 -2.67 119.74 115.52 3gtq s LYS 49 Ca 0.29 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.39 3gtq s LYS 49 Cb -0.07 -4.37 0.00 0.00 -1.68 0.00 0.00 37.83 31.71 3gtq s LYS 49 CO 0.18 -2.08 0.00 -0.25 -0.76 0.00 0.00 175.35 172.44 3gtq n ASP 50 N 8.91 0.00 0.04 2.83 10.43 -1.26 -4.69 116.55 132.81 3gtq n ASP 50 Ca 0.06 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.20 3gtq n ASP 50 Cb 0.49 -0.04 -0.14 0.00 1.84 0.00 0.00 41.12 43.26 3gtq n ASP 50 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gtq n GLY 52 N 1.77 3.08 3.69 0.00 0.00 -1.09 -4.95 105.19 107.69 3gtq n GLY 52 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3gtq n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gtq s HIS 53 N -1.54 2.99 -1.13 1.61 3.76 -1.26 -3.53 115.29 116.19 3gtq s HIS 53 Ca 0.00 0.97 0.00 0.00 -0.15 0.00 0.00 55.06 55.88 3gtq s HIS 53 Cb 0.00 -3.58 0.00 0.00 1.11 0.00 0.00 32.58 30.11 3gtq s HIS 53 CO 0.00 -2.04 0.33 0.54 -0.85 0.00 0.00 174.74 172.72 3gtq n ARG 54 N 5.22 0.58 -0.05 1.40 1.74 -1.26 -4.20 116.66 120.09 3gtq n ARG 54 Ca 0.12 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.06 3gtq n ARG 54 Cb 0.44 -1.25 -0.13 0.00 -1.02 0.00 0.00 32.46 30.51 3gtq n ARG 54 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3gtq h ILE 55 N 0.00 1.71 -6.10 0.55 3.07 -1.96 -3.42 117.51 111.37 3gtq h ILE 55 Ca 0.00 -2.20 0.00 0.00 1.55 0.00 0.00 64.86 64.21 3gtq h ILE 55 Cb 0.25 3.20 -0.00 0.00 -0.27 0.00 0.00 36.82 40.00 3gtq h ILE 55 CO 0.00 0.58 -0.93 0.18 -1.05 0.00 0.00 178.15 176.93 3gtq n LEU 56 N -4.59 -4.54 -4.74 0.16 4.77 -1.26 -4.90 117.00 101.90 3gtq n LEU 56 Ca -0.10 0.68 -0.29 0.00 -0.03 0.00 0.00 56.01 56.27 3gtq n LEU 56 Cb 0.48 -1.94 0.14 0.00 -2.33 0.00 0.00 43.42 39.78 3gtq n LEU 56 CO 0.35 -1.93 0.68 -0.76 -1.33 0.00 0.00 177.39 174.40 3gtq s LEU 57 N -1.02 1.99 -0.67 2.23 1.43 0.20 -4.86 118.68 117.98 3gtq s LEU 57 Ca -0.01 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3gtq s LEU 57 Cb 0.00 -3.52 0.38 0.00 0.03 0.00 0.00 46.19 43.08 3gtq s LEU 57 CO 0.16 -2.69 1.67 1.17 0.23 0.00 0.00 176.35 176.89 3gtq n LYS 58 N -3.89 3.03 0.00 1.70 4.81 -1.26 -2.05 118.16 120.50 3gtq n LYS 58 Ca 0.06 -3.89 0.00 0.00 -0.87 0.00 0.00 58.31 53.61 3gtq n LYS 58 Cb 0.57 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.36 3gtq n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gtq n ALA 59 N -0.55 0.00 -3.84 3.14 0.00 -1.26 -4.87 120.51 113.14 3gtq n ALA 59 Ca 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 3gtq n ALA 59 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.90 3gtq n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3gtq s ARG 60 N 0.00 1.16 0.34 0.00 6.06 -1.26 -5.00 118.95 120.25 3gtq s ARG 60 Ca 0.00 -0.72 0.08 0.00 -2.50 0.00 0.00 55.73 52.58 3gtq s ARG 60 Cb 0.00 0.34 -0.03 0.00 0.06 0.00 0.00 34.95 35.33 3gtq s ARG 60 CO 0.00 -0.54 0.29 0.99 -2.50 0.00 0.00 175.30 173.53 3gtq s THR 61 N -2.43 3.43 -0.15 4.11 2.01 -1.26 -5.06 115.64 116.29 3gtq s THR 61 Ca 0.20 -1.40 0.06 0.00 0.31 0.00 0.00 61.69 60.86 3gtq s THR 61 Cb -0.02 -3.15 -0.14 0.00 0.01 0.00 0.00 72.50 69.20 3gtq s THR 61 CO 0.04 -0.16 -0.05 0.29 -0.69 0.00 0.00 174.62 174.04 3gtq n LYS 62 N -1.37 1.14 -2.00 4.92 4.01 -1.26 -4.85 118.16 118.76 3gtq n LYS 62 Ca -0.02 0.05 -0.41 0.00 -0.51 0.00 0.00 58.31 57.42 3gtq n LYS 62 Cb 0.60 -1.33 -0.03 0.00 -0.51 0.00 0.00 35.03 33.76 3gtq n LYS 62 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3gtq s ARG 63 N -2.33 3.08 0.88 1.97 1.70 -1.26 -4.92 118.95 118.08 3gtq s ARG 63 Ca -0.15 1.18 -0.13 0.00 -0.47 0.00 0.00 55.73 56.16 3gtq s ARG 63 Cb 0.05 -4.27 0.13 0.00 -0.57 0.00 0.00 34.95 30.29 3gtq s ARG 63 CO 0.46 -2.17 1.20 -0.51 -1.08 0.00 0.00 175.30 173.20 3gtq s LEU 64 N 7.75 2.37 -0.21 -1.89 1.43 -1.26 -5.02 118.68 121.84 3gtq s LEU 64 Ca 0.77 0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 54.47 3gtq s LEU 64 Cb -0.19 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 3gtq s LEU 64 CO 0.29 -2.32 0.12 0.68 0.23 0.00 0.00 176.35 175.35 3gtq s VAL 65 N -3.56 5.17 -0.24 -1.59 -7.23 -1.26 -5.07 120.40 106.62 3gtq s VAL 65 Ca 0.65 0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 60.89 3gtq s VAL 65 Cb -0.10 -3.38 -0.01 0.00 0.56 0.00 0.00 36.38 33.45 3gtq s VAL 65 CO 0.51 0.40 0.00 -1.58 -0.31 0.00 0.00 175.10 174.12 3gtq s GLN 66 N 0.71 3.34 -0.19 4.82 0.74 -1.26 -5.10 119.66 122.72 3gtq s GLN 66 Ca 0.06 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 54.76 3gtq s GLN 66 Cb -0.13 -3.13 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 3gtq s GLN 66 CO 0.01 -0.26 -0.01 -0.06 -0.55 0.00 0.00 175.29 174.43 3gtq s PHE 67 N 1.50 3.03 0.33 1.67 0.40 -1.26 -5.09 117.98 118.55 3gtq s PHE 67 Ca 0.05 -0.47 -0.27 0.00 -0.60 0.00 0.00 56.93 55.64 3gtq s PHE 67 Cb -0.15 -2.06 -0.13 0.00 0.51 0.00 0.00 43.02 41.19 3gtq s PHE 67 CO -0.01 -0.23 1.08 -0.85 0.70 0.00 0.00 175.22 175.91 3gtq n GLU 68 N 4.15 1.55 -0.79 0.44 0.00 -1.26 -4.91 120.64 119.83 3gtq n GLU 68 Ca -0.17 0.54 0.06 0.00 0.00 0.00 0.00 57.16 57.59 3gtq n GLU 68 Cb 0.52 -2.00 0.35 0.00 0.00 0.00 0.00 31.44 30.31 3gtq n GLU 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gtq n ALA 69 N 0.11 3.72 1.74 -1.84 0.00 -1.26 -5.32 120.51 117.65 3gtq n ALA 69 Ca 0.08 -2.10 0.15 0.00 0.00 0.00 0.00 53.44 51.57 3gtq n ALA 69 Cb 0.34 -1.02 0.73 0.00 0.00 0.00 0.00 19.45 19.50 3gtq n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04