#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbn s GLN 2 N 0.00 4.23 0.27 3.17 -0.21 -1.26 -0.03 119.66 125.83 2gbn s GLN 2 Ca 0.00 0.81 0.06 0.00 0.02 0.00 0.00 55.36 56.25 2gbn s GLN 2 Cb 0.00 -2.99 -0.06 0.00 1.00 0.00 0.00 33.01 30.96 2gbn s GLN 2 CO 0.00 0.47 -0.04 0.96 -2.12 0.00 0.00 175.29 174.57 2gbn s ILE 3 N -1.40 1.48 -0.03 1.08 -4.36 -0.39 0.11 121.20 117.69 2gbn s ILE 3 Ca 0.39 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.75 2gbn s ILE 3 Cb -0.18 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 2gbn s ILE 3 CO 0.21 -0.28 -0.23 -0.36 0.24 0.00 0.00 174.94 174.52 2gbn s PHE 4 N -3.12 2.43 -0.12 1.37 0.08 -0.22 -0.56 117.98 117.84 2gbn s PHE 4 Ca 0.30 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.93 2gbn s PHE 4 Cb 0.05 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2gbn s PHE 4 CO 0.12 -0.01 -0.07 0.08 -0.10 0.00 0.00 175.22 175.23 2gbn s VAL 5 N -0.57 1.04 -0.19 -0.44 1.01 0.03 -0.39 120.40 120.88 2gbn s VAL 5 Ca 0.09 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2gbn s VAL 5 Cb -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2gbn s VAL 5 CO -0.00 0.32 0.99 -0.75 0.00 0.00 0.00 175.10 175.67 2gbn s LYS 6 N 1.70 4.30 0.72 2.72 2.20 -0.32 -0.97 119.74 130.09 2gbn s LYS 6 Ca 0.04 1.30 -0.06 0.00 -0.36 0.00 0.00 55.97 56.90 2gbn s LYS 6 Cb -0.13 -3.61 0.08 0.00 -1.51 0.00 0.00 37.83 32.67 2gbn s LYS 6 CO -0.08 -0.50 1.02 0.95 -0.36 0.00 0.00 175.35 176.37 2gbn s THR 7 N 2.74 2.27 0.51 3.43 -4.23 0.11 -1.03 115.64 119.45 2gbn s THR 7 Ca 0.44 -0.34 0.28 0.00 -1.18 0.00 0.00 61.69 60.89 2gbn s THR 7 Cb -0.16 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.07 2gbn s THR 7 CO 0.10 0.00 2.17 -0.07 -0.54 0.00 0.00 174.62 176.28 2gbn h LEU 8 N -0.62 0.00 -0.06 4.79 3.38 -1.89 -1.08 115.31 119.83 2gbn h LEU 8 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2gbn h LEU 8 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2gbn h LEU 8 CO 0.54 0.06 0.00 0.35 0.09 0.00 0.00 178.44 179.48 2gbn n THR 9 N -3.80 0.38 -0.16 0.22 -2.24 -1.26 -4.89 114.28 102.52 2gbn n THR 9 Ca -0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2gbn n THR 9 Cb 0.15 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2gbn n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbn n GLY 10 N 1.17 0.66 3.76 3.38 0.00 -0.41 -5.06 105.19 108.69 2gbn n GLY 10 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2gbn n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbn s LYS 11 N -0.84 4.49 -0.27 1.61 1.02 -1.26 -4.76 119.74 119.74 2gbn s LYS 11 Ca 0.00 1.74 -0.08 0.00 0.02 0.00 0.00 55.97 57.65 2gbn s LYS 11 Cb 0.00 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 2gbn s LYS 11 CO 0.00 0.10 0.09 0.99 -0.92 0.00 0.00 175.35 175.61 2gbn s THR 12 N -1.29 4.36 -0.14 2.17 2.01 -1.26 -0.71 115.64 120.77 2gbn s THR 12 Ca 0.48 -0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 2gbn s THR 12 Cb -0.30 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2gbn s THR 12 CO 0.38 0.25 0.00 -0.63 -0.69 0.00 0.00 174.62 173.93 2gbn s ILE 13 N 1.61 4.29 0.04 1.82 -1.09 -0.15 -4.92 121.20 122.79 2gbn s ILE 13 Ca 0.06 -0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 58.11 2gbn s ILE 13 Cb -0.16 -2.87 -0.06 0.00 -1.58 0.00 0.00 42.46 37.79 2gbn s ILE 13 CO 0.04 0.52 0.44 -0.89 -1.23 0.00 0.00 174.94 173.82 2gbn s THR 14 N 0.00 4.99 -0.08 2.92 2.01 -1.26 -0.79 115.64 123.43 2gbn s THR 14 Ca 0.03 0.81 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 2gbn s THR 14 Cb -0.13 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.69 2gbn s THR 14 CO 0.02 0.49 0.19 -0.22 -0.69 0.00 0.00 174.62 174.41 2gbn s LEU 15 N -1.31 0.94 0.01 4.42 2.96 0.28 -4.99 118.68 120.99 2gbn s LEU 15 Ca 0.27 0.40 -0.28 0.00 -0.22 0.00 0.00 54.13 54.29 2gbn s LEU 15 Cb -0.16 0.60 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 2gbn s LEU 15 CO 0.15 -0.11 0.90 -1.83 -1.32 0.00 0.00 176.35 174.15 2gbn s GLU 16 N 0.63 4.55 0.08 1.98 -1.05 -1.26 -1.26 118.70 122.37 2gbn s GLU 16 Ca -0.04 1.29 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 2gbn s GLU 16 Cb -0.06 -3.44 -0.04 0.00 -0.44 0.00 0.00 34.13 30.15 2gbn s GLU 16 CO -0.03 0.05 -0.04 0.14 0.95 0.00 0.00 175.26 176.32 2gbn s VAL 17 N 0.71 0.41 0.20 1.83 -7.23 0.96 -4.89 120.40 112.40 2gbn s VAL 17 Ca 0.47 -1.87 0.09 0.00 -1.81 0.00 0.00 61.98 58.86 2gbn s VAL 17 Cb -0.21 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2gbn s VAL 17 CO 0.26 -0.91 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.47 2gbn s GLU 18 N -3.89 2.16 0.49 4.82 0.41 -1.26 -1.91 118.70 119.51 2gbn s GLU 18 Ca 0.10 -1.30 0.25 0.00 -0.41 0.00 0.00 54.97 53.62 2gbn s GLU 18 Cb 0.07 -2.18 1.31 0.00 -1.78 0.00 0.00 34.13 31.55 2gbn s GLU 18 CO -0.07 0.42 1.88 -1.35 -0.49 0.00 0.00 175.26 175.65 2gbn h PRO 19 N 2.60 0.16 0.00 0.39 0.11 -1.96 -1.30 132.00 132.01 2gbn h PRO 19 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gbn h PRO 19 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2gbn h PRO 19 CO 0.56 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 2gbn n SER 20 N -4.38 0.15 -4.73 -2.05 3.41 -1.26 -1.65 113.62 103.11 2gbn n SER 20 Ca 0.18 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.90 2gbn n SER 20 Cb 0.83 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 2gbn n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gbn s ASP 21 N -3.28 6.56 0.52 4.04 1.01 -0.49 -4.81 116.67 120.21 2gbn s ASP 21 Ca 0.09 2.70 -0.19 0.00 0.71 0.00 0.00 52.55 55.86 2gbn s ASP 21 Cb 0.13 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 2gbn s ASP 21 CO 0.39 -0.82 1.05 0.42 0.21 0.00 0.00 175.17 176.42 2gbn s THR 22 N 0.67 3.77 0.25 -1.27 -4.23 -1.26 -1.30 115.64 112.27 2gbn s THR 22 Ca 0.67 1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 62.17 2gbn s THR 22 Cb -0.44 -3.43 0.23 0.00 1.34 0.00 0.00 72.50 70.20 2gbn s THR 22 CO 0.37 -0.31 1.80 0.40 -0.54 0.00 0.00 174.62 176.33 2gbn h ILE 23 N 1.23 0.86 -0.77 2.99 1.08 -1.02 0.32 117.51 122.20 2gbn h ILE 23 Ca -0.49 -0.26 0.16 0.00 -0.39 0.00 0.00 64.86 63.88 2gbn h ILE 23 Cb 1.22 0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 34.89 2gbn h ILE 23 CO 0.58 0.14 0.29 -0.08 -0.69 0.00 0.00 178.15 178.39 2gbn h GLU 24 N 0.77 0.39 -0.10 2.37 4.81 -1.17 -0.33 114.58 121.31 2gbn h GLU 24 Ca 0.43 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.43 2gbn h GLU 24 Cb 0.46 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2gbn h GLU 24 CO -0.28 0.26 -0.78 -0.91 -0.73 0.00 0.00 179.01 176.57 2gbn h ASN 25 N 0.40 0.70 -0.40 1.04 2.35 -1.27 -2.11 115.58 116.29 2gbn h ASN 25 Ca 0.44 -0.47 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2gbn h ASN 25 Cb 0.71 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 2gbn h ASN 25 CO -0.45 1.24 0.24 0.58 -1.65 0.00 0.00 177.43 177.40 2gbn h VAL 26 N 0.39 1.13 -0.58 2.81 2.07 -0.77 -1.22 116.25 120.08 2gbn h VAL 26 Ca -0.05 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.21 2gbn h VAL 26 Cb 1.38 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2gbn h VAL 26 CO 0.15 0.13 0.31 0.11 0.02 0.00 0.00 177.57 178.29 2gbn h LYS 27 N 0.53 0.58 -0.61 1.57 1.57 -0.96 -0.11 116.57 119.14 2gbn h LYS 27 Ca 0.14 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2gbn h LYS 27 Cb 0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2gbn h LYS 27 CO -0.03 0.38 0.14 0.00 -0.57 0.00 0.00 179.45 179.38 2gbn h ALA 28 N 1.31 0.80 -0.68 3.86 0.00 -1.07 -2.22 119.26 121.26 2gbn h ALA 28 Ca 0.26 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2gbn h ALA 28 Cb 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2gbn h ALA 28 CO -0.17 0.52 0.17 0.87 0.00 0.00 0.00 179.25 180.64 2gbn h LYS 29 N 0.89 1.09 -0.47 0.00 1.57 -0.74 -1.18 116.57 117.73 2gbn h LYS 29 Ca 0.19 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2gbn h LYS 29 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2gbn h LYS 29 CO 0.00 0.97 0.30 0.82 -0.57 0.00 0.00 179.45 180.97 2gbn h ILE 30 N 1.02 1.10 -0.58 1.86 1.08 -0.84 0.15 117.51 121.30 2gbn h ILE 30 Ca 0.21 -0.21 -0.10 0.00 -0.39 0.00 0.00 64.86 64.38 2gbn h ILE 30 Cb 0.36 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 2gbn h ILE 30 CO 0.00 0.11 -0.02 -0.61 -0.69 0.00 0.00 178.15 176.94 2gbn h GLN 31 N 0.61 1.02 -0.04 2.37 5.75 -1.28 -1.20 115.11 122.34 2gbn h GLN 31 Ca 0.18 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2gbn h GLN 31 Cb -0.05 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.41 2gbn h GLN 31 CO -0.05 1.01 0.03 -0.44 -2.65 0.00 0.00 178.83 176.73 2gbn h ASP 32 N 0.93 0.05 -0.34 -0.69 3.32 -0.96 -0.10 116.42 118.63 2gbn h ASP 32 Ca 0.16 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.28 2gbn h ASP 32 Cb 0.57 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 2gbn h ASP 32 CO 0.03 0.04 -0.16 0.11 -1.72 0.00 0.00 179.24 177.55 2gbn h LYS 33 N 0.05 -0.10 0.00 3.56 1.79 -0.71 -2.88 116.57 118.29 2gbn h LYS 33 Ca 0.02 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2gbn h LYS 33 Cb 0.00 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2gbn h LYS 33 CO -0.00 -0.07 -0.25 1.05 -1.08 0.00 0.00 179.45 179.10 2gbn h GLU 34 N -0.10 0.00 -5.85 3.15 4.11 -1.13 -3.48 114.58 111.28 2gbn h GLU 34 Ca 0.17 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.43 2gbn h GLU 34 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2gbn h GLU 34 CO -0.40 0.25 -0.44 0.41 0.07 0.00 0.00 179.01 178.90 2gbn n GLY 35 N 0.90 -1.21 3.92 1.06 0.00 -0.06 -3.42 105.19 106.39 2gbn n GLY 35 Ca 0.02 0.61 -0.26 0.00 0.00 0.00 0.00 46.02 46.38 2gbn n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbn n GLY 36 N -1.55 -0.31 3.66 -0.02 0.00 -1.26 -4.99 105.19 100.72 2gbn n GLY 36 Ca -0.10 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2gbn n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbn s GLY 37 N -4.07 1.66 -0.06 -0.02 0.00 -1.22 -3.67 107.32 99.93 2gbn s GLY 37 Ca 0.20 -1.66 -0.00 0.00 0.00 0.00 0.00 44.72 43.26 2gbn s GLY 37 CO 0.87 -1.71 0.02 0.61 0.00 0.00 0.00 173.10 172.89 2gbn n GLY 38 N -0.93 0.61 0.76 0.20 0.00 -1.26 -2.72 105.19 101.84 2gbn n GLY 38 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2gbn n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbn n GLY 39 N -0.79 0.70 2.61 -0.02 0.00 -1.26 -4.94 105.19 101.49 2gbn n GLY 39 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2gbn n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbn n GLY 40 N -2.00 0.43 0.24 -0.02 0.00 -1.10 -4.46 105.19 98.28 2gbn n GLY 40 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2gbn n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gbn h GLY 41 N 5.89 -0.93 -1.73 -0.02 0.00 -1.91 -3.36 103.07 101.01 2gbn h GLY 41 Ca 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 2gbn h GLY 41 CO 0.25 -0.31 -0.67 0.61 0.00 0.00 0.00 176.54 176.42 2gbn n GLY 42 N -1.28 2.93 5.24 4.60 0.00 -1.26 -4.97 105.19 110.44 2gbn n GLY 42 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2gbn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbn n GLY 43 N -0.37 0.47 3.68 -0.02 0.00 -1.26 -4.39 105.19 103.31 2gbn n GLY 43 Ca 0.11 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 2gbn n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbn s ILE 44 N 0.00 5.25 0.28 -0.61 -1.09 -1.26 -5.04 121.20 118.73 2gbn s ILE 44 Ca 0.00 0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 58.70 2gbn s ILE 44 Cb 0.00 -3.67 -0.13 0.00 -1.58 0.00 0.00 42.46 37.08 2gbn s ILE 44 CO 0.00 0.29 1.34 -2.65 -1.23 0.00 0.00 174.94 172.69 2gbn n PRO 45 N 4.27 2.02 0.28 2.79 -0.02 -1.26 -4.88 135.00 138.21 2gbn n PRO 45 Ca -0.10 0.72 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 2gbn n PRO 45 Cb 0.51 -2.33 0.84 0.00 -0.02 0.00 0.00 33.50 32.51 2gbn n PRO 45 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2gbn h PRO 46 N 3.47 0.00 0.00 0.52 0.13 -1.94 -0.44 132.00 133.74 2gbn h PRO 46 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gbn h PRO 46 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2gbn h PRO 46 CO 0.70 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 2gbn n ASP 47 N -3.44 0.37 -1.86 1.44 5.75 -1.26 -1.73 116.55 115.82 2gbn n ASP 47 Ca -0.02 0.60 -0.01 0.00 -0.01 0.00 0.00 54.79 55.36 2gbn n ASP 47 Cb 0.20 -0.67 0.33 0.00 -1.03 0.00 0.00 41.12 39.95 2gbn n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gbn n GLN 48 N -1.92 3.99 -4.29 0.11 6.02 -0.17 -4.92 117.38 116.20 2gbn n GLN 48 Ca 0.02 -3.11 -0.17 0.00 -0.01 0.00 0.00 57.00 53.74 2gbn n GLN 48 Cb 0.18 -2.20 -0.10 0.00 1.02 0.00 0.00 30.24 29.14 2gbn n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2gbn s GLN 49 N -2.93 1.16 0.05 -1.09 -0.21 -0.70 -0.64 119.66 115.31 2gbn s GLN 49 Ca 0.54 -1.46 0.04 0.00 0.02 0.00 0.00 55.36 54.51 2gbn s GLN 49 Cb 0.43 -0.91 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 2gbn s GLN 49 CO 0.14 0.15 -0.13 1.03 -2.12 0.00 0.00 175.29 174.36 2gbn s ARG 50 N -3.43 0.79 -0.21 2.91 1.81 -0.13 -4.79 118.95 115.90 2gbn s ARG 50 Ca 0.17 -0.83 -0.09 0.00 -1.72 0.00 0.00 55.73 53.27 2gbn s ARG 50 Cb -0.01 -0.75 -0.05 0.00 -0.45 0.00 0.00 34.95 33.70 2gbn s ARG 50 CO 0.04 0.17 0.11 -1.17 -0.68 0.00 0.00 175.30 173.77 2gbn s LEU 51 N -1.45 3.98 -0.13 2.53 2.96 -1.26 -0.67 118.68 124.63 2gbn s LEU 51 Ca -0.02 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2gbn s LEU 51 Cb -0.09 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2gbn s LEU 51 CO 0.02 0.13 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.44 2gbn s ILE 52 N 0.64 3.28 -0.17 6.68 -1.09 0.13 -1.31 121.20 129.36 2gbn s ILE 52 Ca 0.06 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 2gbn s ILE 52 Cb -0.12 -2.39 0.03 0.00 -1.58 0.00 0.00 42.46 38.39 2gbn s ILE 52 CO 0.01 0.52 -0.15 0.12 -1.23 0.00 0.00 174.94 174.21 2gbn s PHE 53 N 0.33 2.48 -1.43 3.97 5.36 -0.02 -1.39 117.98 127.28 2gbn s PHE 53 Ca -0.09 -1.49 -0.10 0.00 -0.96 0.00 0.00 56.93 54.29 2gbn s PHE 53 Cb -0.15 -1.73 0.05 0.00 -0.34 0.00 0.00 43.02 40.84 2gbn s PHE 53 CO 0.05 -0.74 1.03 0.00 -1.46 0.00 0.00 175.22 174.10 2gbn n ALA 54 N 4.69 -1.41 -0.61 11.12 0.00 -1.26 -0.38 120.51 132.66 2gbn n ALA 54 Ca -0.18 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2gbn n ALA 54 Cb 0.49 -4.50 0.00 0.00 0.00 0.00 0.00 19.45 15.44 2gbn n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbn n GLY 55 N -1.77 1.46 3.53 0.00 0.00 -1.26 -5.02 105.19 102.13 2gbn n GLY 55 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2gbn n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gbn s LYS 56 N -0.12 3.72 -0.20 1.61 2.20 0.49 -5.08 119.74 122.36 2gbn s LYS 56 Ca 0.00 -0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 54.84 2gbn s LYS 56 Cb 0.00 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 2gbn s LYS 56 CO 0.00 0.27 1.48 -1.14 -0.36 0.00 0.00 175.35 175.60 2gbn s GLN 57 N 0.32 3.96 0.32 4.03 0.74 -1.26 -0.84 119.66 126.93 2gbn s GLN 57 Ca -0.02 1.64 -0.22 0.00 0.05 0.00 0.00 55.36 56.81 2gbn s GLN 57 Cb -0.14 -3.94 -0.10 0.00 1.10 0.00 0.00 33.01 29.94 2gbn s GLN 57 CO 0.02 -1.08 0.88 -0.51 -0.55 0.00 0.00 175.29 174.05 2gbn s LEU 58 N 4.51 4.23 -0.09 3.68 1.43 -0.43 -5.00 118.68 127.01 2gbn s LEU 58 Ca 0.65 1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 55.15 2gbn s LEU 58 Cb -0.24 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 2gbn s LEU 58 CO 0.25 -0.12 0.82 -1.61 0.23 0.00 0.00 176.35 175.92 2gbn s GLU 59 N -2.37 4.41 0.31 1.70 2.02 -1.26 -4.59 118.70 118.91 2gbn s GLU 59 Ca 0.52 1.07 0.07 0.00 0.02 0.00 0.00 54.97 56.64 2gbn s GLU 59 Cb -0.15 -3.50 0.81 0.00 0.10 0.00 0.00 34.13 31.38 2gbn s GLU 59 CO 0.20 -0.12 1.73 -0.44 0.02 0.00 0.00 175.26 176.65 2gbn h ASP 60 N 7.00 0.58 0.63 -0.19 3.32 -1.96 -2.11 116.42 123.69 2gbn h ASP 60 Ca -0.36 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2gbn h ASP 60 Cb 1.17 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2gbn h ASP 60 CO 0.79 0.10 -0.19 0.61 -1.72 0.00 0.00 179.24 178.83 2gbn n GLY 61 N -1.32 -1.23 3.97 2.75 0.00 -1.26 -0.67 105.19 107.43 2gbn n GLY 61 Ca 0.25 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2gbn n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbn s ARG 62 N -2.81 2.74 0.23 1.61 0.52 -0.79 -4.84 118.95 115.60 2gbn s ARG 62 Ca 0.18 -0.73 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 2gbn s ARG 62 Cb 0.19 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2gbn s ARG 62 CO 0.56 -0.53 0.34 0.95 0.02 0.00 0.00 175.30 176.65 2gbn s THR 63 N -2.66 5.24 0.33 0.02 -4.23 -1.26 -1.12 115.64 111.97 2gbn s THR 63 Ca 0.54 -0.97 0.07 0.00 -1.18 0.00 0.00 61.69 60.15 2gbn s THR 63 Cb -0.10 -3.83 0.31 0.00 1.34 0.00 0.00 72.50 70.22 2gbn s THR 63 CO 0.38 -0.30 1.85 -0.07 -0.54 0.00 0.00 174.62 175.93 2gbn h LEU 64 N 1.30 0.73 -1.31 4.79 3.38 -1.11 -1.90 115.31 121.19 2gbn h LEU 64 Ca -0.51 0.05 0.13 0.00 0.09 0.00 0.00 57.88 57.63 2gbn h LEU 64 Cb 1.23 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 2gbn h LEU 64 CO 0.62 0.36 0.55 0.77 0.09 0.00 0.00 178.44 180.83 2gbn h SER 65 N 0.77 0.65 0.21 -0.43 4.64 -1.59 0.85 113.55 118.65 2gbn h SER 65 Ca 0.48 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.81 2gbn h SER 65 Cb 0.71 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2gbn h SER 65 CO -0.24 0.35 -0.07 0.44 -0.87 0.00 0.00 176.83 176.44 2gbn h ASP 66 N 0.70 0.00 -0.17 4.97 3.32 -1.63 -1.83 116.42 121.79 2gbn h ASP 66 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2gbn h ASP 66 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2gbn h ASP 66 CO -0.18 0.07 0.00 -1.22 -1.72 0.00 0.00 179.24 176.19 2gbn n TYR 67 N -3.76 0.22 -3.86 4.55 4.01 0.26 -4.99 117.16 113.59 2gbn n TYR 67 Ca -0.02 -0.18 -0.27 0.00 -0.16 0.00 0.00 57.90 57.27 2gbn n TYR 67 Cb 0.17 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.21 2gbn n TYR 67 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gbn n ASN 68 N 0.82 -2.66 -4.64 7.72 4.13 -0.69 -4.92 115.26 115.02 2gbn n ASN 68 Ca 0.11 -0.84 -0.43 0.00 1.68 0.00 0.00 54.58 55.10 2gbn n ASN 68 Cb 0.41 -3.75 -0.02 0.00 -1.54 0.00 0.00 39.78 34.87 2gbn n ASN 68 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2gbn s ILE 69 N -3.54 4.52 0.55 2.41 1.01 -1.20 -5.04 121.20 119.91 2gbn s ILE 69 Ca 0.32 1.77 -0.02 0.00 0.00 0.00 0.00 60.65 62.73 2gbn s ILE 69 Cb -0.16 -4.36 0.02 0.00 0.01 0.00 0.00 42.46 37.97 2gbn s ILE 69 CO 0.84 -0.40 0.80 -1.10 0.00 0.00 0.00 174.94 175.08 2gbn s GLN 70 N 3.57 2.76 0.48 2.79 -1.52 -1.26 -4.87 119.66 121.62 2gbn s GLN 70 Ca 0.46 -0.43 -0.24 0.00 -1.95 0.00 0.00 55.36 53.20 2gbn s GLN 70 Cb -0.13 -2.42 -0.08 0.00 -0.22 0.00 0.00 33.01 30.16 2gbn s GLN 70 CO 0.14 -0.63 1.33 0.36 -0.25 0.00 0.00 175.29 176.23 2gbn n LYS 71 N -2.38 1.88 -2.76 2.91 2.85 -1.26 -3.25 118.16 116.14 2gbn n LYS 71 Ca 0.05 0.68 -0.21 0.00 -1.05 0.00 0.00 58.31 57.78 2gbn n LYS 71 Cb 0.59 -2.50 0.02 0.00 -0.65 0.00 0.00 35.03 32.48 2gbn n LYS 71 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gbn n GLU 72 N -0.42 -3.58 -3.29 -1.58 1.02 0.30 -4.98 120.64 108.11 2gbn n GLU 72 Ca 0.08 0.90 -0.32 0.00 -0.02 0.00 0.00 57.16 57.80 2gbn n GLU 72 Cb 0.42 -5.61 -0.06 0.00 -0.02 0.00 0.00 31.44 26.17 2gbn n GLU 72 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2gbn s SER 73 N -2.50 6.69 -0.17 1.62 0.01 -1.20 -4.83 113.70 113.31 2gbn s SER 73 Ca 0.19 1.08 -0.05 0.00 1.31 0.00 0.00 55.95 58.47 2gbn s SER 73 Cb -0.08 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2gbn s SER 73 CO 0.23 -0.14 0.01 -0.89 0.41 0.00 0.00 173.24 172.86 2gbn s THR 74 N -1.90 4.26 0.39 1.44 2.01 -1.26 -1.05 115.64 119.54 2gbn s THR 74 Ca 0.50 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.36 2gbn s THR 74 Cb -0.11 -2.90 -0.07 0.00 0.01 0.00 0.00 72.50 69.43 2gbn s THR 74 CO 0.20 0.47 0.01 -0.76 -0.69 0.00 0.00 174.62 173.84 2gbn s LEU 75 N 0.47 2.88 -0.00 4.42 1.02 0.47 -4.65 118.68 123.29 2gbn s LEU 75 Ca -0.01 -1.28 -0.04 0.00 0.02 0.00 0.00 54.13 52.82 2gbn s LEU 75 Cb -0.14 -1.01 -0.00 0.00 0.02 0.00 0.00 46.19 45.07 2gbn s LEU 75 CO 0.02 -0.40 0.07 -1.38 0.02 0.00 0.00 176.35 174.68 2gbn s HIS 76 N -2.67 0.07 -0.11 0.29 -3.43 -0.49 -1.17 115.29 107.79 2gbn s HIS 76 Ca 0.35 -0.14 -0.10 0.00 -0.80 0.00 0.00 55.06 54.37 2gbn s HIS 76 Cb 0.07 -0.07 -0.05 0.00 -1.43 0.00 0.00 32.58 31.11 2gbn s HIS 76 CO 0.18 -0.19 0.22 -0.51 -2.00 0.00 0.00 174.74 172.45 2gbn s LEU 77 N -0.98 4.37 0.22 5.38 1.43 -0.19 0.20 118.68 129.11 2gbn s LEU 77 Ca -0.11 0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.63 2gbn s LEU 77 Cb -0.06 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 2gbn s LEU 77 CO 0.00 0.32 -0.11 0.68 0.23 0.00 0.00 176.35 177.47 2gbn s VAL 78 N -0.68 1.67 -0.05 -1.59 -7.23 0.15 -4.39 120.40 108.28 2gbn s VAL 78 Ca 0.16 -2.18 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 2gbn s VAL 78 Cb -0.13 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2gbn s VAL 78 CO 0.05 -0.51 0.73 -0.22 -0.31 0.00 0.00 175.10 174.85 2gbn s LEU 79 N -3.34 4.34 -0.37 1.32 2.96 -1.26 -0.95 118.68 121.36 2gbn s LEU 79 Ca 0.24 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.42 2gbn s LEU 79 Cb 0.01 -3.14 0.14 0.00 0.50 0.00 0.00 46.19 43.70 2gbn s LEU 79 CO 0.08 -0.12 0.22 -0.60 -1.32 0.00 0.00 176.35 174.62 2gbn s ARG 80 N 0.73 0.71 0.00 1.98 6.06 0.19 -4.85 118.95 123.77 2gbn s ARG 80 Ca 0.39 -1.49 0.32 0.00 -2.50 0.00 0.00 55.73 52.45 2gbn s ARG 80 Cb -0.18 -1.52 1.89 0.00 0.06 0.00 0.00 34.95 35.20 2gbn s ARG 80 CO 0.19 -1.20 2.22 1.28 -2.50 0.00 0.00 175.30 175.29