#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtp n THR 26 N 0.00 0.00 -2.67 0.00 -1.04 -1.26 -5.11 114.28 104.20 3gtp n THR 26 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 3gtp n THR 26 Cb 0.00 -0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 3gtp n THR 26 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 3gtp s LEU 27 N 0.00 4.61 -0.02 -4.42 2.34 -1.26 -5.01 118.68 114.93 3gtp s LEU 27 Ca 0.00 2.04 0.02 0.00 0.06 0.00 0.00 54.13 56.25 3gtp s LEU 27 Cb 0.00 -3.61 -0.03 0.00 -0.56 0.00 0.00 46.19 41.98 3gtp s LEU 27 CO 0.00 0.06 0.02 0.29 -1.06 0.00 0.00 176.35 175.66 3gtp n LYS 28 N 1.47 2.58 -3.94 1.48 5.02 -1.25 -4.97 118.16 118.55 3gtp n LYS 28 Ca -0.01 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 3gtp n LYS 28 Cb 0.46 -1.06 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 3gtp n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gtp s TYR 29 N -2.09 0.30 -0.07 2.13 1.51 -0.69 -4.68 117.35 113.76 3gtp s TYR 29 Ca -0.01 -0.66 -0.09 0.00 -1.01 0.00 0.00 57.07 55.30 3gtp s TYR 29 Cb 0.01 0.11 0.02 0.00 -0.11 0.00 0.00 41.96 41.99 3gtp s TYR 29 CO 0.10 -0.86 0.24 0.42 -1.11 0.00 0.00 175.55 174.34 3gtp s ILE 30 N -3.97 0.02 0.59 2.71 1.01 -0.11 -3.11 121.20 118.34 3gtp s ILE 30 Ca 0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 3gtp s ILE 30 Cb 0.01 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 3gtp s ILE 30 CO 0.03 -0.09 0.94 0.00 0.00 0.00 0.00 174.94 175.83 3gtp h ALA 32 N -0.19 0.58 0.04 0.00 0.00 -1.90 -3.35 119.26 114.44 3gtp h ALA 32 Ca -0.45 -0.76 -0.34 0.00 0.00 0.00 0.00 54.91 53.36 3gtp h ALA 32 Cb 1.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3gtp h ALA 32 CO 0.62 1.02 -1.91 0.39 0.00 0.00 0.00 179.25 179.37 3gtp n GLU 33 N -3.56 0.65 -0.13 0.00 1.02 -1.26 -4.76 120.64 112.60 3gtp n GLU 33 Ca -0.01 0.36 -0.26 0.00 -0.02 0.00 0.00 57.16 57.23 3gtp n GLU 33 Cb 0.81 -1.66 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 3gtp n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtp n SER 35 N -4.23 0.00 -4.85 0.00 7.64 -1.26 -5.10 113.62 105.82 3gtp n SER 35 Ca -0.47 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.04 3gtp n SER 35 Cb 0.82 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.95 3gtp n SER 35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gtp s SER 36 N -1.11 6.61 -0.06 6.43 0.15 -1.26 -4.97 113.70 119.49 3gtp s SER 36 Ca 0.00 0.73 -0.01 0.00 0.70 0.00 0.00 55.95 57.37 3gtp s SER 36 Cb 0.00 -2.17 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 3gtp s SER 36 CO 0.00 0.35 2.12 0.29 1.20 0.00 0.00 173.24 177.20 3gtp n LYS 37 N 1.98 1.22 -1.10 5.44 5.02 -1.26 -3.74 118.16 125.72 3gtp n LYS 37 Ca -0.16 -0.37 -0.35 0.00 -2.02 0.00 0.00 58.31 55.40 3gtp n LYS 37 Cb 0.53 -1.19 0.08 0.00 -0.02 0.00 0.00 35.03 34.44 3gtp n LYS 37 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gtp n LEU 38 N 1.35 -0.30 -2.74 -0.35 4.32 -1.18 -4.74 117.00 113.37 3gtp n LEU 38 Ca 0.09 0.48 -0.04 0.00 -0.02 0.00 0.00 56.01 56.52 3gtp n LEU 38 Cb 0.54 -1.15 0.02 0.00 -1.62 0.00 0.00 43.42 41.21 3gtp n LEU 38 CO 0.08 -3.61 0.22 -0.24 -1.22 0.00 0.00 177.39 172.63 3gtp n SER 39 N -0.11 -2.90 -4.60 -1.43 2.88 -1.26 -1.71 113.62 104.49 3gtp n SER 39 Ca 0.08 -2.41 -0.34 0.00 -1.33 0.00 0.00 58.87 54.88 3gtp n SER 39 Cb 0.51 1.48 -0.11 0.00 -0.75 0.00 0.00 64.21 65.35 3gtp n SER 39 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3gtp s LEU 40 N 0.83 3.23 0.87 2.46 1.43 -1.26 -4.98 118.68 121.26 3gtp s LEU 40 Ca 0.28 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 3gtp s LEU 40 Cb 0.05 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.64 3gtp s LEU 40 CO -0.07 0.34 1.20 -0.94 0.23 0.00 0.00 176.35 177.11 3gtp s SER 41 N -0.99 3.90 0.32 2.29 1.04 -1.26 -4.93 113.70 114.07 3gtp s SER 41 Ca 0.14 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.28 3gtp s SER 41 Cb -0.11 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.88 3gtp s SER 41 CO 0.03 -2.28 0.00 -2.11 0.98 0.00 0.00 173.24 169.86 3gtp n ARG 42 N -3.55 0.77 -0.13 4.02 1.85 -1.26 -2.06 116.66 116.30 3gtp n ARG 42 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 3gtp n ARG 42 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 3gtp n ARG 42 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3gtp n THR 43 N -1.99 0.00 -0.34 8.89 -1.04 -1.26 -4.22 114.28 114.32 3gtp n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gtp n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3gtp n THR 43 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3gtp n ASP 44 N 2.65 0.82 0.00 8.00 2.03 -0.87 -5.09 116.55 124.08 3gtp n ASP 44 Ca 0.00 -1.16 0.00 0.00 0.52 0.00 0.00 54.79 54.15 3gtp n ASP 44 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3gtp n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gtp n ALA 45 N -0.08 0.00 -3.00 -1.67 0.00 -1.25 -4.77 120.51 109.74 3gtp n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gtp n ALA 45 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3gtp n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtp n VAL 46 N 0.00 0.00 0.00 0.00 0.31 -1.26 -5.03 118.33 112.35 3gtp n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gtp n VAL 46 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3gtp n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gtp n ARG 47 N 0.00 0.00 0.00 5.55 0.63 -1.26 -5.07 116.66 116.51 3gtp n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3gtp n ARG 47 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3gtp n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gtp s LYS 49 N -2.36 1.47 -0.31 0.00 -0.14 -1.26 -4.56 119.74 112.57 3gtp s LYS 49 Ca 0.00 -2.18 -0.01 0.00 -1.36 0.00 0.00 55.97 52.42 3gtp s LYS 49 Cb 0.00 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 3gtp s LYS 49 CO 0.00 -1.16 0.17 -3.47 -0.76 0.00 0.00 175.35 170.13 3gtp n ASP 50 N 3.40 -2.62 0.00 2.83 4.64 -1.26 -4.90 116.55 118.63 3gtp n ASP 50 Ca 0.08 -0.08 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 3gtp n ASP 50 Cb 0.34 -1.42 0.00 0.00 -1.04 0.00 0.00 41.12 39.00 3gtp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gtp n GLY 52 N 0.00 1.24 1.17 0.00 0.00 -1.26 -4.89 105.19 101.45 3gtp n GLY 52 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 3gtp n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gtp n HIS 53 N 0.00 0.47 0.30 1.61 8.25 -1.26 -0.35 115.22 124.23 3gtp n HIS 53 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 3gtp n HIS 53 Cb 0.00 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.33 3gtp n HIS 53 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3gtp n ARG 54 N 2.17 0.22 0.00 -0.41 1.74 -1.26 -4.23 116.66 114.90 3gtp n ARG 54 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3gtp n ARG 54 Cb -0.02 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3gtp n ARG 54 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3gtp n ILE 55 N 0.07 0.00 -0.43 0.55 -5.35 -1.26 -4.64 119.36 108.31 3gtp n ILE 55 Ca 0.00 0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 3gtp n ILE 55 Cb 0.04 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.03 3gtp n ILE 55 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gtp n LEU 56 N 0.00 -0.99 -4.19 7.28 4.77 -1.26 -4.97 117.00 117.65 3gtp n LEU 56 Ca 0.00 0.81 -0.12 0.00 -0.03 0.00 0.00 56.01 56.67 3gtp n LEU 56 Cb 0.00 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 3gtp n LEU 56 CO 0.00 -0.01 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.07 3gtp s LEU 57 N -2.88 1.16 -0.17 2.23 1.43 0.35 -4.88 118.68 115.91 3gtp s LEU 57 Ca 0.00 -1.35 0.16 0.00 -1.03 0.00 0.00 54.13 51.91 3gtp s LEU 57 Cb 0.00 0.44 0.63 0.00 0.03 0.00 0.00 46.19 47.30 3gtp s LEU 57 CO 0.00 -0.85 1.54 1.17 0.23 0.00 0.00 176.35 178.45 3gtp n LYS 58 N -0.26 3.67 0.00 1.70 4.81 -1.26 -0.93 118.16 125.89 3gtp n LYS 58 Ca 0.01 -2.88 0.00 0.00 -0.87 0.00 0.00 58.31 54.58 3gtp n LYS 58 Cb 0.66 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3gtp n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gtp n ALA 59 N 0.23 0.00 0.00 3.14 0.00 -1.26 -4.78 120.51 117.83 3gtp n ALA 59 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3gtp n ALA 59 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 3gtp n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gtp n ARG 60 N 0.00 0.00 -3.23 0.00 3.00 -1.26 -5.11 116.66 110.05 3gtp n ARG 60 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 3gtp n ARG 60 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 3gtp n ARG 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3gtp s THR 61 N -2.00 3.19 -0.32 5.15 2.01 -1.26 -5.04 115.64 117.37 3gtp s THR 61 Ca 0.00 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.00 3gtp s THR 61 Cb 0.00 -3.09 0.46 0.00 0.01 0.00 0.00 72.50 69.88 3gtp s THR 61 CO 0.00 -0.04 1.36 0.29 -0.69 0.00 0.00 174.62 175.54 3gtp n LYS 62 N -1.73 2.75 -2.08 4.92 4.01 -1.26 -4.62 118.16 120.15 3gtp n LYS 62 Ca 0.05 -3.70 -0.40 0.00 -0.51 0.00 0.00 58.31 53.75 3gtp n LYS 62 Cb 0.59 -2.06 0.03 0.00 -0.51 0.00 0.00 35.03 33.08 3gtp n LYS 62 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3gtp n ARG 63 N -0.90 3.31 -0.95 1.97 5.12 -1.26 -5.03 116.66 118.91 3gtp n ARG 63 Ca 0.40 -3.77 -0.37 0.00 -1.93 0.00 0.00 57.85 52.17 3gtp n ARG 63 Cb 0.90 -2.31 -0.05 0.00 -1.16 0.00 0.00 32.46 29.84 3gtp n ARG 63 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3gtp n LEU 64 N -0.44 0.50 -4.87 0.55 4.77 -1.26 -4.82 117.00 111.43 3gtp n LEU 64 Ca 0.52 0.67 -0.32 0.00 -0.03 0.00 0.00 56.01 56.86 3gtp n LEU 64 Cb 0.24 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 3gtp n LEU 64 CO 0.51 -0.64 0.27 0.68 -1.33 0.00 0.00 177.39 176.89 3gtp s VAL 65 N 1.25 4.88 0.36 4.08 -7.23 -1.26 -5.07 120.40 117.40 3gtp s VAL 65 Ca 0.57 0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 61.29 3gtp s VAL 65 Cb -0.81 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 32.46 3gtp s VAL 65 CO 0.43 -0.15 0.58 -1.58 -0.31 0.00 0.00 175.10 174.07 3gtp s GLN 66 N -2.99 3.49 -0.27 4.82 0.74 -1.26 -5.11 119.66 119.09 3gtp s GLN 66 Ca 0.49 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.62 3gtp s GLN 66 Cb -0.11 -2.63 0.14 0.00 1.10 0.00 0.00 33.01 31.51 3gtp s GLN 66 CO 0.22 0.10 0.34 -0.06 -0.55 0.00 0.00 175.29 175.34 3gtp s PHE 67 N -2.37 -0.70 -0.34 1.67 0.40 -1.26 -5.09 117.98 110.29 3gtp s PHE 67 Ca 0.41 0.29 -0.38 0.00 -0.60 0.00 0.00 56.93 56.65 3gtp s PHE 67 Cb -0.10 -0.23 -0.14 0.00 0.51 0.00 0.00 43.02 43.06 3gtp s PHE 67 CO 0.37 -0.85 2.02 -0.85 0.70 0.00 0.00 175.22 176.62 3gtp n GLU 68 N 5.34 0.97 -0.19 0.44 -0.00 -1.26 -4.78 120.64 121.16 3gtp n GLU 68 Ca -0.02 0.31 0.00 0.00 -0.00 0.00 0.00 57.16 57.45 3gtp n GLU 68 Cb 0.49 -2.20 0.07 0.00 -0.00 0.00 0.00 31.44 29.80 3gtp n GLU 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gtp n ALA 69 N 7.89 2.85 0.56 -1.84 0.00 -1.26 -5.35 120.51 123.35 3gtp n ALA 69 Ca 0.38 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.47 3gtp n ALA 69 Cb 0.16 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.62 3gtp n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04