#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gnn s GLN 2 N 0.00 4.00 -0.16 0.54 0.74 -1.26 -5.07 119.66 118.46 1gnn s GLN 2 Ca 0.00 -0.16 -0.02 0.00 0.05 0.00 0.00 55.36 55.23 1gnn s GLN 2 Cb 0.00 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 1gnn s GLN 2 CO 0.00 -0.17 -0.09 0.42 -0.55 0.00 0.00 175.29 174.90 1gnn s ILE 3 N 1.75 3.34 0.28 -2.34 1.01 -1.26 -5.10 121.20 118.88 1gnn s ILE 3 Ca 0.11 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1gnn s ILE 3 Cb -0.16 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1gnn s ILE 3 CO 0.10 0.50 0.44 0.42 0.00 0.00 0.00 174.94 176.40 1gnn s THR 4 N 0.59 5.19 -0.68 2.92 -4.23 -1.26 -5.03 115.64 113.14 1gnn s THR 4 Ca -0.06 -0.70 0.15 0.00 -1.18 0.00 0.00 61.69 59.91 1gnn s THR 4 Cb -0.15 -3.85 0.54 0.00 1.34 0.00 0.00 72.50 70.38 1gnn s THR 4 CO 0.03 -0.41 1.46 0.18 -0.54 0.00 0.00 174.62 175.33 1gnn n LEU 5 N -1.50 3.99 0.26 4.79 4.77 -1.26 -4.33 117.00 123.73 1gnn n LEU 5 Ca -0.07 -2.55 0.15 0.00 -0.03 0.00 0.00 56.01 53.51 1gnn n LEU 5 Cb 0.56 -0.47 0.66 0.00 -2.33 0.00 0.00 43.42 41.84 1gnn n LEU 5 CO 0.47 0.73 0.95 -0.50 -1.33 0.00 0.00 177.39 177.71 1gnn h TRP 6 N 2.68 0.00 -2.97 -1.77 4.06 -2.06 -3.43 115.95 112.46 1gnn h TRP 6 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 1gnn h TRP 6 Cb 1.28 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 29.27 1gnn h TRP 6 CO 0.54 0.08 -0.78 1.14 -3.56 0.00 0.00 178.44 175.87 1gnn s GLN 7 N -3.76 1.41 0.37 0.49 0.00 -1.26 -5.10 119.66 111.81 1gnn s GLN 7 Ca 0.00 -1.54 -0.27 0.00 -0.00 0.00 0.00 55.36 53.55 1gnn s GLN 7 Cb 0.10 -1.48 -0.11 0.00 0.00 0.00 0.00 33.01 31.52 1gnn s GLN 7 CO 0.57 0.29 1.25 0.54 0.00 0.00 0.00 175.29 177.94 1gnn n ARG 8 N -0.03 1.97 -2.85 9.60 1.74 -1.26 -4.88 116.66 120.95 1gnn n ARG 8 Ca -0.10 0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 57.24 1gnn n ARG 8 Cb 0.58 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.46 29.68 1gnn n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1gnn s PRO 9 N -2.00 3.60 -0.00 5.56 0.04 -1.26 -4.97 135.00 135.96 1gnn s PRO 9 Ca 0.58 -1.63 0.00 0.00 0.04 0.00 0.00 61.00 59.99 1gnn s PRO 9 Cb -0.55 -5.01 -0.04 0.00 0.04 0.00 0.00 34.50 28.95 1gnn s PRO 9 CO 0.60 -1.86 0.06 -0.51 0.04 0.00 0.00 177.00 175.33 1gnn s LEU 10 N 3.14 3.79 0.03 -3.56 1.43 -1.26 -1.02 118.68 121.23 1gnn s LEU 10 Ca 0.35 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1gnn s LEU 10 Cb -0.04 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1gnn s LEU 10 CO -0.10 0.28 0.12 0.54 0.23 0.00 0.00 176.35 177.42 1gnn s VAL 11 N -1.16 0.12 -0.05 -1.59 0.11 0.31 -4.91 120.40 113.23 1gnn s VAL 11 Ca 0.22 -0.98 -0.25 0.00 -2.93 0.00 0.00 61.98 58.04 1gnn s VAL 11 Cb -0.12 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1gnn s VAL 11 CO 0.13 -0.54 0.76 -0.89 -3.33 0.00 0.00 175.10 171.23 1gnn s THR 12 N -2.37 5.00 0.06 5.04 2.01 -1.26 -0.19 115.64 123.93 1gnn s THR 12 Ca -0.07 1.58 0.07 0.00 0.31 0.00 0.00 61.69 63.59 1gnn s THR 12 Cb -0.02 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1gnn s THR 12 CO -0.03 0.23 -0.18 0.27 -0.69 0.00 0.00 174.62 174.22 1gnn s ILE 13 N 0.83 2.81 -0.28 1.82 -4.36 0.84 -1.51 121.20 121.34 1gnn s ILE 13 Ca 0.41 -1.25 -0.08 0.00 -0.26 0.00 0.00 60.65 59.47 1gnn s ILE 13 Cb -0.18 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.31 1gnn s ILE 13 CO 0.20 0.29 0.11 -0.75 0.24 0.00 0.00 174.94 175.03 1gnn s LYS 14 N -1.59 3.40 -0.07 0.37 2.20 -0.64 -0.79 119.74 122.62 1gnn s LYS 14 Ca 0.15 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1gnn s LYS 14 Cb -0.11 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1gnn s LYS 14 CO 0.06 -0.34 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.21 1gnn s ILE 15 N 1.59 0.39 -1.39 5.43 2.07 0.09 -1.70 121.20 127.68 1gnn s ILE 15 Ca 0.05 0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.28 1gnn s ILE 15 Cb -0.16 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 41.93 1gnn s ILE 15 CO 0.04 0.25 1.09 0.61 -1.91 0.00 0.00 174.94 175.03 1gnn n GLY 16 N 4.96 -0.51 2.08 1.50 0.00 -1.26 -2.33 105.19 109.64 1gnn n GLY 16 Ca -0.10 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1gnn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnn n GLY 17 N -1.83 0.50 2.94 -0.02 0.00 -1.26 -5.01 105.19 100.52 1gnn n GLY 17 Ca -0.02 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1gnn n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gnn s GLN 18 N -1.29 0.49 -0.12 1.61 -0.21 -0.98 -5.12 119.66 114.03 1gnn s GLN 18 Ca 0.00 -0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.08 1gnn s GLN 18 Cb 0.00 -0.49 -0.05 0.00 1.00 0.00 0.00 33.01 33.47 1gnn s GLN 18 CO 0.00 0.08 0.31 -0.51 -2.12 0.00 0.00 175.29 173.05 1gnn s LEU 19 N 0.09 4.30 0.09 2.90 1.43 -1.26 -0.73 118.68 125.50 1gnn s LEU 19 Ca -0.01 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1gnn s LEU 19 Cb -0.05 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1gnn s LEU 19 CO -0.00 0.17 0.04 -0.54 0.23 0.00 0.00 176.35 176.25 1gnn s LYS 20 N 0.02 0.78 0.01 1.70 3.01 0.03 -5.00 119.74 120.30 1gnn s LYS 20 Ca 0.18 -1.28 0.02 0.00 -1.01 0.00 0.00 55.97 53.88 1gnn s LYS 20 Cb -0.14 0.24 -0.04 0.00 -1.01 0.00 0.00 37.83 36.89 1gnn s LYS 20 CO 0.06 -0.20 0.01 -1.21 0.51 0.00 0.00 175.35 174.52 1gnn s GLU 21 N -3.97 2.78 0.03 1.68 2.02 -1.26 -0.11 118.70 119.87 1gnn s GLU 21 Ca 0.14 -0.63 -0.11 0.00 0.02 0.00 0.00 54.97 54.40 1gnn s GLU 21 Cb 0.07 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.64 1gnn s GLU 21 CO -0.05 0.62 0.22 0.00 0.02 0.00 0.00 175.26 176.07 1gnn s ALA 22 N -1.12 -0.47 -0.07 5.21 0.00 0.73 -4.61 121.76 121.42 1gnn s ALA 22 Ca 0.21 -0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.89 1gnn s ALA 22 Cb -0.12 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1gnn s ALA 22 CO 0.12 -0.34 0.37 -1.17 0.00 0.00 0.00 175.76 174.73 1gnn s LEU 23 N -1.91 4.37 -0.45 0.00 0.20 -0.70 0.12 118.68 120.31 1gnn s LEU 23 Ca -0.07 0.78 -0.26 0.00 0.69 0.00 0.00 54.13 55.26 1gnn s LEU 23 Cb -0.02 -2.51 0.03 0.00 -0.43 0.00 0.00 46.19 43.26 1gnn s LEU 23 CO -0.02 0.21 0.96 -0.76 -0.29 0.00 0.00 176.35 176.45 1gnn s LEU 24 N -0.34 3.95 -0.34 -0.68 1.02 -0.19 -1.70 118.68 120.39 1gnn s LEU 24 Ca 0.22 0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.63 1gnn s LEU 24 Cb -0.15 -3.26 0.10 0.00 0.02 0.00 0.00 46.19 42.90 1gnn s LEU 24 CO 0.09 -1.05 0.07 -0.62 0.02 0.00 0.00 176.35 174.86 1gnn s ASP 25 N 2.24 4.63 0.00 2.29 -1.08 -0.68 -4.79 116.67 119.27 1gnn s ASP 25 Ca 0.39 -2.11 0.15 0.00 -0.52 0.00 0.00 52.55 50.46 1gnn s ASP 25 Cb -0.10 -1.50 0.67 0.00 -1.46 0.00 0.00 42.92 40.53 1gnn s ASP 25 CO 0.26 -0.38 1.46 0.35 0.52 0.00 0.00 175.17 177.38 1gnn n THR 26 N 4.30 0.88 1.22 1.71 -2.24 -1.26 -2.27 114.28 116.61 1gnn n THR 26 Ca 0.03 0.22 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 1gnn n THR 26 Cb 0.42 -0.96 0.28 0.00 -2.10 0.00 0.00 70.33 67.96 1gnn n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gnn n GLY 27 N 0.03 0.38 3.51 3.38 0.00 -1.26 -4.85 105.19 106.38 1gnn n GLY 27 Ca 0.04 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1gnn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnn s ALA 28 N -2.09 3.14 -0.18 4.61 0.00 -0.96 -4.97 121.76 121.31 1gnn s ALA 28 Ca 0.31 -0.90 0.16 0.00 0.00 0.00 0.00 51.96 51.53 1gnn s ALA 28 Cb 0.20 -1.79 0.14 0.00 0.00 0.00 0.00 23.12 21.67 1gnn s ALA 28 CO 0.36 -0.00 1.48 -0.44 0.00 0.00 0.00 175.76 177.16 1gnn h ASP 29 N 7.15 0.00 -1.65 0.00 3.32 -1.89 -1.53 116.42 121.83 1gnn h ASP 29 Ca -0.35 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.09 1gnn h ASP 29 Cb 1.18 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 1gnn h ASP 29 CO 0.63 0.43 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.21 1gnn s ASP 30 N -6.42 3.60 -0.22 6.45 1.01 -1.26 -2.34 116.67 117.49 1gnn s ASP 30 Ca 0.04 -1.50 -0.05 0.00 0.71 0.00 0.00 52.55 51.75 1gnn s ASP 30 Cb 0.07 0.06 -0.02 0.00 1.01 0.00 0.00 42.92 44.04 1gnn s ASP 30 CO 0.73 -0.66 0.01 -0.89 0.21 0.00 0.00 175.17 174.57 1gnn s THR 31 N -2.91 3.88 -0.05 -1.27 2.01 -1.26 -2.30 115.64 113.75 1gnn s THR 31 Ca 0.24 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1gnn s THR 31 Cb 0.06 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.81 1gnn s THR 31 CO 0.12 0.40 -0.06 0.54 -0.69 0.00 0.00 174.62 174.93 1gnn s VAL 32 N 1.33 0.62 0.13 3.82 0.11 -0.59 0.52 120.40 126.35 1gnn s VAL 32 Ca 0.04 -0.18 0.09 0.00 -2.93 0.00 0.00 61.98 59.00 1gnn s VAL 32 Cb -0.15 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1gnn s VAL 32 CO 0.01 0.24 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.09 1gnn s LEU 33 N 0.84 2.74 0.89 2.54 1.43 0.21 -0.29 118.68 127.03 1gnn s LEU 33 Ca -0.12 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.30 1gnn s LEU 33 Cb -0.15 -1.55 0.13 0.00 0.03 0.00 0.00 46.19 44.65 1gnn s LEU 33 CO 0.01 0.16 1.12 -1.83 0.23 0.00 0.00 176.35 176.04 1gnn s GLU 34 N -2.27 1.28 -0.06 1.70 -1.05 -1.26 -1.83 118.70 115.21 1gnn s GLU 34 Ca 0.19 1.37 -0.40 0.00 -0.15 0.00 0.00 54.97 55.98 1gnn s GLU 34 Cb -0.10 -1.77 -0.19 0.00 -0.44 0.00 0.00 34.13 31.63 1gnn s GLU 34 CO 0.11 -2.39 1.28 -1.91 0.95 0.00 0.00 175.26 173.30 1gnn n GLU 35 N -4.05 0.43 -4.02 -4.83 4.07 -1.16 -4.56 120.64 106.52 1gnn n GLU 35 Ca 0.10 0.16 -0.10 0.00 -0.06 0.00 0.00 57.16 57.26 1gnn n GLU 35 Cb 0.53 -1.71 -0.05 0.00 -0.06 0.00 0.00 31.44 30.14 1gnn n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gnn s MET 36 N 0.83 1.65 -0.35 5.31 0.23 -1.26 -5.05 119.30 120.66 1gnn s MET 36 Ca 0.92 -1.39 -0.13 0.00 -1.03 0.00 0.00 55.69 54.05 1gnn s MET 36 Cb -1.19 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 32.56 1gnn s MET 36 CO 0.58 -0.69 0.25 -1.54 -2.03 0.00 0.00 175.02 171.59 1gnn s SER 37 N -3.08 6.03 -0.05 -1.18 1.04 -1.26 -5.06 113.70 110.15 1gnn s SER 37 Ca 0.25 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1gnn s SER 37 Cb -0.00 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1gnn s SER 37 CO 0.12 -0.28 -0.24 -0.22 0.98 0.00 0.00 173.24 173.59 1gnn s LEU 38 N 1.70 2.05 0.44 2.42 2.96 -1.26 -4.96 118.68 122.03 1gnn s LEU 38 Ca 0.06 -0.48 -0.23 0.00 -0.22 0.00 0.00 54.13 53.25 1gnn s LEU 38 Cb -0.18 -1.31 -0.08 0.00 0.50 0.00 0.00 46.19 45.12 1gnn s LEU 38 CO 0.10 0.25 1.15 -2.16 -1.32 0.00 0.00 176.35 174.38 1gnn s PRO 39 N -0.26 3.86 0.00 0.98 0.04 -1.26 -4.95 135.00 133.42 1gnn s PRO 39 Ca -0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1gnn s PRO 39 Cb -0.12 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1gnn s PRO 39 CO 0.02 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1gnn n GLY 40 N 0.47 0.13 3.94 0.56 0.00 -1.26 -5.06 105.19 103.96 1gnn n GLY 40 Ca 0.06 -2.30 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 1gnn n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gnn s ARG 41 N 0.00 3.49 -0.14 1.61 6.06 -1.26 -5.13 118.95 123.59 1gnn s ARG 41 Ca 0.00 -0.43 -0.16 0.00 -2.50 0.00 0.00 55.73 52.64 1gnn s ARG 41 Cb 0.00 -2.84 0.04 0.00 0.06 0.00 0.00 34.95 32.21 1gnn s ARG 41 CO 0.00 0.39 0.43 1.67 -2.50 0.00 0.00 175.30 175.29 1gnn s TRP 42 N -1.92 -0.44 -0.06 5.12 1.48 -1.26 -4.68 118.94 117.17 1gnn s TRP 42 Ca 0.37 1.03 -0.09 0.00 -1.06 0.00 0.00 56.10 56.36 1gnn s TRP 42 Cb -0.11 0.16 -0.05 0.00 -1.16 0.00 0.00 33.47 32.32 1gnn s TRP 42 CO 0.30 -0.27 0.24 0.15 -4.06 0.00 0.00 176.95 173.31 1gnn s LYS 43 N -0.06 3.61 0.51 3.25 -0.14 -0.67 -4.81 119.74 121.43 1gnn s LYS 43 Ca -0.02 0.04 -0.22 0.00 -1.36 0.00 0.00 55.97 54.41 1gnn s LYS 43 Cb -0.03 -3.18 -0.06 0.00 -1.68 0.00 0.00 37.83 32.87 1gnn s LYS 43 CO 0.02 0.73 1.20 -1.25 -0.76 0.00 0.00 175.35 175.29 1gnn s PRO 44 N -1.16 3.47 0.15 -1.68 0.04 -1.26 0.16 135.00 134.72 1gnn s PRO 44 Ca 0.20 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 62.83 1gnn s PRO 44 Cb -0.14 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1gnn s PRO 44 CO 0.09 -0.81 0.77 0.21 0.04 0.00 0.00 177.00 177.30 1gnn s LYS 45 N -2.92 1.28 -0.07 4.56 2.20 0.43 -4.76 119.74 120.46 1gnn s LYS 45 Ca 0.69 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 55.71 1gnn s LYS 45 Cb -0.30 0.51 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1gnn s LYS 45 CO 0.35 -0.58 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.02 1gnn s MET 46 N -3.55 1.61 0.31 4.03 -1.94 -1.26 0.27 119.30 118.77 1gnn s MET 46 Ca 0.07 -0.37 0.10 0.00 -1.71 0.00 0.00 55.69 53.78 1gnn s MET 46 Cb -0.02 -1.39 -0.05 0.00 2.01 0.00 0.00 34.83 35.37 1gnn s MET 46 CO -0.04 -0.03 -0.10 0.96 -0.01 0.00 0.00 175.02 175.81 1gnn s ILE 47 N 0.84 2.62 0.09 2.53 -4.36 -0.63 -4.96 121.20 117.32 1gnn s ILE 47 Ca -0.11 -2.18 0.10 0.00 -0.26 0.00 0.00 60.65 58.19 1gnn s ILE 47 Cb -0.15 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 1gnn s ILE 47 CO 0.02 -0.31 -0.26 -0.83 0.24 0.00 0.00 174.94 173.80 1gnn s GLY 48 N -3.61 1.48 0.00 6.27 0.00 -1.26 -2.06 107.32 108.14 1gnn s GLY 48 Ca 0.32 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1gnn s GLY 48 CO 0.17 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1gnn n GLY 49 N 1.28 4.62 0.13 0.20 0.00 -0.01 -5.01 105.19 106.40 1gnn n GLY 49 Ca -0.18 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1gnn n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gnn h ILE 50 N 0.00 1.47 -0.43 -0.61 6.09 -2.02 -3.30 117.51 118.70 1gnn h ILE 50 Ca 0.00 -2.00 -0.01 0.00 -1.37 0.00 0.00 64.86 61.48 1gnn h ILE 50 Cb 0.00 2.62 -0.00 0.00 0.47 0.00 0.00 36.82 39.91 1gnn h ILE 50 CO 0.00 0.57 0.01 0.61 -3.07 0.00 0.00 178.15 176.27 1gnn n GLY 51 N 1.02 3.52 0.00 8.18 0.00 -1.26 -5.02 105.19 111.64 1gnn n GLY 51 Ca -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1gnn n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnn n GLY 52 N 0.06 0.57 3.11 -0.02 0.00 -1.24 -5.10 105.19 102.56 1gnn n GLY 52 Ca 0.25 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1gnn n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gnn s PHE 53 N -3.49 1.48 0.20 1.61 0.40 -1.26 -0.83 117.98 116.09 1gnn s PHE 53 Ca 0.00 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.03 1gnn s PHE 53 Cb 0.00 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.49 1gnn s PHE 53 CO 0.00 -0.12 -0.04 0.96 0.70 0.00 0.00 175.22 176.72 1gnn s ILE 54 N -0.04 3.43 -0.23 0.64 -4.36 -0.87 -4.97 121.20 114.79 1gnn s ILE 54 Ca -0.01 -1.63 -0.14 0.00 -0.26 0.00 0.00 60.65 58.60 1gnn s ILE 54 Cb -0.10 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 1gnn s ILE 54 CO 0.01 -0.17 0.33 -0.54 0.24 0.00 0.00 174.94 174.81 1gnn s LYS 55 N -3.05 4.10 0.40 0.37 -0.14 -1.26 -1.61 119.74 118.55 1gnn s LYS 55 Ca 0.27 0.03 0.04 0.00 -1.36 0.00 0.00 55.97 54.94 1gnn s LYS 55 Cb -0.08 -3.57 -0.04 0.00 -1.68 0.00 0.00 37.83 32.45 1gnn s LYS 55 CO 0.17 -0.08 0.07 0.14 -0.76 0.00 0.00 175.35 174.89 1gnn s VAL 56 N 1.47 1.08 -0.13 3.17 -7.23 0.76 -4.54 120.40 114.98 1gnn s VAL 56 Ca 0.15 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1gnn s VAL 56 Cb -0.15 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1gnn s VAL 56 CO 0.08 0.00 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.64 1gnn s ARG 57 N -3.81 3.42 0.19 4.82 0.52 -0.76 -0.42 118.95 122.90 1gnn s ARG 57 Ca 0.26 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 1gnn s ARG 57 Cb 0.05 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1gnn s ARG 57 CO 0.13 0.25 0.34 1.14 0.02 0.00 0.00 175.30 177.19 1gnn s GLN 58 N 0.27 3.47 -0.03 3.54 -2.07 0.43 -2.20 119.66 123.07 1gnn s GLN 58 Ca -0.07 -0.51 0.02 0.00 -1.82 0.00 0.00 55.36 52.98 1gnn s GLN 58 Cb -0.15 -2.90 0.01 0.00 -1.09 0.00 0.00 33.01 28.88 1gnn s GLN 58 CO 0.05 0.45 -0.06 0.71 -1.32 0.00 0.00 175.29 175.11 1gnn s TYR 59 N -1.84 0.80 0.08 9.60 1.51 -0.98 -1.67 117.35 124.85 1gnn s TYR 59 Ca 0.36 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.26 1gnn s TYR 59 Cb -0.11 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1gnn s TYR 59 CO 0.29 -0.14 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.04 1gnn s ASP 60 N 0.53 4.76 -1.17 2.29 1.01 -1.26 -1.02 116.67 121.81 1gnn s ASP 60 Ca -0.07 -0.23 -0.07 0.00 0.71 0.00 0.00 52.55 52.88 1gnn s ASP 60 Cb -0.11 -1.07 0.01 0.00 1.01 0.00 0.00 42.92 42.76 1gnn s ASP 60 CO 0.00 0.20 1.02 0.00 0.21 0.00 0.00 175.17 176.60 1gnn n GLN 61 N 0.80 -6.84 -3.38 8.23 1.13 -0.88 -4.90 117.38 111.54 1gnn n GLN 61 Ca -0.12 0.72 -0.38 0.00 -1.94 0.00 0.00 57.00 55.28 1gnn n GLN 61 Cb 0.52 -5.43 -0.07 0.00 0.11 0.00 0.00 30.24 25.37 1gnn n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gnn s ILE 62 N -3.28 5.22 0.00 5.09 -1.09 -0.63 -4.81 121.20 121.70 1gnn s ILE 62 Ca 0.47 0.81 -0.30 0.00 -2.23 0.00 0.00 60.65 59.40 1gnn s ILE 62 Cb -0.21 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1gnn s ILE 62 CO 0.63 0.32 1.02 -0.22 -1.23 0.00 0.00 174.94 175.46 1gnn s LEU 63 N 0.77 4.36 -0.03 2.97 2.96 -1.26 -2.08 118.68 126.37 1gnn s LEU 63 Ca 0.22 1.72 0.01 0.00 -0.22 0.00 0.00 54.13 55.86 1gnn s LEU 63 Cb -0.14 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.00 1gnn s LEU 63 CO 0.08 -0.31 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.27 1gnn s ILE 64 N 1.10 0.31 -0.24 6.68 2.07 -0.52 -4.28 121.20 126.32 1gnn s ILE 64 Ca 0.53 0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.71 1gnn s ILE 64 Cb -0.22 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 1gnn s ILE 64 CO 0.28 0.17 0.07 -0.70 -1.91 0.00 0.00 174.94 172.84 1gnn s GLU 65 N 0.97 3.70 -0.24 3.50 2.12 -0.69 -0.13 118.70 127.93 1gnn s GLU 65 Ca -0.10 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.78 1gnn s GLU 65 Cb -0.14 -3.29 0.04 0.00 0.26 0.00 0.00 34.13 31.00 1gnn s GLU 65 CO -0.01 -0.11 -0.11 0.42 -0.54 0.00 0.00 175.26 174.91 1gnn s ILE 66 N 1.39 2.37 -1.16 -3.70 1.01 0.45 -1.62 121.20 119.95 1gnn s ILE 66 Ca 0.05 -1.33 -0.23 0.00 0.00 0.00 0.00 60.65 59.14 1gnn s ILE 66 Cb -0.15 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1gnn s ILE 66 CO 0.03 0.14 0.77 0.00 0.00 0.00 0.00 174.94 175.88 1gnn n GLY 68 N -1.76 1.66 3.76 0.00 0.00 -1.26 -4.94 105.19 102.65 1gnn n GLY 68 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1gnn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gnn s HIS 69 N -0.35 3.76 0.02 1.61 4.02 0.15 -5.03 115.29 119.47 1gnn s HIS 69 Ca 0.00 1.43 -0.19 0.00 1.02 0.00 0.00 55.06 57.32 1gnn s HIS 69 Cb 0.00 -2.74 -0.06 0.00 -1.02 0.00 0.00 32.58 28.76 1gnn s HIS 69 CO 0.00 0.36 0.56 0.15 1.02 0.00 0.00 174.74 176.83 1gnn s LYS 70 N -0.38 4.23 0.07 1.40 3.01 -1.26 0.17 119.74 126.98 1gnn s LYS 70 Ca 0.36 0.69 -0.07 0.00 -1.01 0.00 0.00 55.97 55.94 1gnn s LYS 70 Cb -0.20 -3.29 -0.01 0.00 -1.01 0.00 0.00 37.83 33.31 1gnn s LYS 70 CO 0.22 0.50 0.13 0.00 0.51 0.00 0.00 175.35 176.71 1gnn s ALA 71 N -0.63 -0.05 -0.03 5.17 0.00 0.82 -4.86 121.76 122.18 1gnn s ALA 71 Ca 0.29 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1gnn s ALA 71 Cb -0.18 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1gnn s ALA 71 CO 0.17 -0.44 -0.04 -1.50 0.00 0.00 0.00 175.76 173.95 1gnn s ILE 72 N -3.62 0.48 0.00 0.00 2.07 -1.26 -1.43 121.20 117.43 1gnn s ILE 72 Ca 0.03 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1gnn s ILE 72 Cb 0.04 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.14 1gnn s ILE 72 CO -0.09 0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 1gnn n GLY 73 N 3.84 1.06 3.74 1.50 0.00 -0.88 -4.90 105.19 109.55 1gnn n GLY 73 Ca -0.24 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1gnn n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gnn s THR 74 N -2.31 4.89 -0.10 2.61 2.01 -1.26 -1.60 115.64 119.88 1gnn s THR 74 Ca 0.00 1.46 0.03 0.00 0.31 0.00 0.00 61.69 63.48 1gnn s THR 74 Cb 0.00 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1gnn s THR 74 CO 0.00 0.34 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.39 1gnn s VAL 75 N 0.19 1.75 -0.17 3.82 1.01 -0.19 -4.51 120.40 122.30 1gnn s VAL 75 Ca 0.36 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1gnn s VAL 75 Cb -0.19 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1gnn s VAL 75 CO 0.20 0.49 0.41 -0.76 0.00 0.00 0.00 175.10 175.44 1gnn s LEU 76 N 0.63 4.21 -0.14 3.92 1.43 0.19 -2.31 118.68 126.60 1gnn s LEU 76 Ca -0.13 0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1gnn s LEU 76 Cb -0.16 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 1gnn s LEU 76 CO 0.04 -0.03 -0.07 -0.69 0.23 0.00 0.00 176.35 175.83 1gnn s VAL 77 N 0.97 3.59 -0.78 -1.59 1.01 -0.93 -0.62 120.40 122.05 1gnn s VAL 77 Ca 0.21 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1gnn s VAL 77 Cb -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1gnn s VAL 77 CO 0.08 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1gnn n GLY 78 N 3.51 -0.79 2.31 4.51 0.00 -0.76 -1.83 105.19 112.13 1gnn n GLY 78 Ca -0.18 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 1gnn n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gnn n PRO 79 N 0.00 2.72 -2.31 1.61 -0.04 -1.26 -3.00 135.00 132.72 1gnn n PRO 79 Ca 0.00 -2.04 -0.34 0.00 -0.04 0.00 0.00 63.50 61.08 1gnn n PRO 79 Cb 0.00 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.21 1gnn n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gnn s THR 80 N -0.54 3.66 0.08 0.52 -1.32 -1.26 -4.95 115.64 111.82 1gnn s THR 80 Ca 0.62 0.94 0.24 0.00 -1.21 0.00 0.00 61.69 62.28 1gnn s THR 80 Cb 0.31 -3.38 0.23 0.00 -1.51 0.00 0.00 72.50 68.15 1gnn s THR 80 CO -0.11 -0.31 1.79 1.55 -2.21 0.00 0.00 174.62 175.33 1gnn h PRO 81 N 1.09 0.00 -4.00 7.08 0.13 -1.98 -3.43 132.00 130.89 1gnn h PRO 81 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1gnn h PRO 81 Cb 1.23 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1gnn h PRO 81 CO 0.58 0.22 -0.65 -0.80 -0.23 0.00 0.00 178.00 177.13 1gnn s ASN 82 N -6.18 0.29 0.06 1.44 -0.87 -1.26 -5.03 114.94 103.40 1gnn s ASN 82 Ca 0.01 -0.64 -0.31 0.00 -1.57 0.00 0.00 52.86 50.35 1gnn s ASN 82 Cb 0.10 0.16 -0.07 0.00 -0.02 0.00 0.00 41.25 41.41 1gnn s ASN 82 CO 0.64 -0.44 1.51 0.20 -2.57 0.00 0.00 177.10 176.44 1gnn s ASN 83 N -2.04 6.73 -0.18 -1.22 0.01 -1.26 -4.58 114.94 112.39 1gnn s ASN 83 Ca -0.07 2.34 0.01 0.00 -0.71 0.00 0.00 52.86 54.43 1gnn s ASN 83 Cb -0.03 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1gnn s ASN 83 CO -0.04 -0.78 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.95 1gnn s ILE 84 N 2.12 2.14 -0.42 0.60 1.01 0.61 -1.72 121.20 125.54 1gnn s ILE 84 Ca 0.68 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 1gnn s ILE 84 Cb -0.37 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.22 1gnn s ILE 84 CO 0.30 0.52 0.31 -0.63 0.00 0.00 0.00 174.94 175.44 1gnn s ILE 85 N 1.30 5.22 0.21 2.92 -1.09 -0.69 -1.54 121.20 127.53 1gnn s ILE 85 Ca 0.05 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 1gnn s ILE 85 Cb -0.13 -3.94 0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1gnn s ILE 85 CO -0.12 -0.34 0.29 0.61 -1.23 0.00 0.00 174.94 174.14 1gnn n GLY 86 N 5.16 1.45 0.29 6.18 0.00 -0.97 -1.69 105.19 115.61 1gnn n GLY 86 Ca -0.11 -2.09 0.17 0.00 0.00 0.00 0.00 46.02 43.99 1gnn n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gnn h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.34 -0.72 114.38 117.01 1gnn h ARG 87 Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1gnn h ARG 87 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1gnn h ARG 87 CO 0.12 0.05 -0.08 -2.95 -1.07 0.00 0.00 179.97 176.04 1gnn h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.74 -3.05 115.58 116.76 1gnn h ASN 88 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.11 1gnn h ASN 88 Cb 0.30 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.50 1gnn h ASN 88 CO 0.01 0.08 -1.98 0.18 0.07 0.00 0.00 177.43 175.79 1gnn n LEU 89 N -3.73 0.58 -0.23 6.14 4.77 -0.79 -4.46 117.00 119.28 1gnn n LEU 89 Ca -0.02 -0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.01 1gnn n LEU 89 Cb 0.19 0.16 0.33 0.00 -2.33 0.00 0.00 43.42 41.76 1gnn n LEU 89 CO 0.29 0.44 1.22 -0.07 -1.33 0.00 0.00 177.39 177.95 1gnn h LEU 90 N 0.00 0.72 -1.13 2.23 3.38 -1.18 0.23 115.31 119.55 1gnn h LEU 90 Ca -0.39 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gnn h LEU 90 Cb 1.83 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1gnn h LEU 90 CO 0.00 0.45 -0.01 0.71 0.09 0.00 0.00 178.44 179.69 1gnn h THR 91 N 0.81 0.02 0.02 0.22 1.35 -1.77 0.97 112.91 114.52 1gnn h THR 91 Ca 0.35 -0.64 -0.22 0.00 -0.55 0.00 0.00 66.41 65.35 1gnn h THR 91 Cb 0.32 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1gnn h THR 91 CO -0.13 0.01 -0.96 1.56 -0.25 0.00 0.00 175.52 175.75 1gnn h GLN 92 N 0.00 0.33 -0.24 4.72 4.20 -0.76 -3.18 115.11 120.18 1gnn h GLN 92 Ca -0.00 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1gnn h GLN 92 Cb 0.63 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1gnn h GLN 92 CO 0.00 1.08 0.00 0.44 -0.67 0.00 0.00 178.83 179.68 1gnn n ILE 93 N -3.70 0.32 -2.38 2.54 -5.35 -1.13 -4.93 119.36 104.74 1gnn n ILE 93 Ca -0.06 -0.39 -0.04 0.00 -0.27 0.00 0.00 62.75 61.99 1gnn n ILE 93 Cb 0.85 0.29 0.02 0.00 -1.74 0.00 0.00 39.64 39.06 1gnn n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnn n GLY 94 N 1.09 0.32 3.86 3.28 0.00 -1.19 -5.01 105.19 107.54 1gnn n GLY 94 Ca 0.14 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1gnn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnn s THR 96 N -1.20 0.66 -0.05 0.00 -4.23 -1.26 -4.69 115.64 104.87 1gnn s THR 96 Ca 0.22 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 1gnn s THR 96 Cb -0.12 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1gnn s THR 96 CO 0.13 0.00 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.88 1gnn s LEU 97 N -3.68 1.67 0.00 4.79 2.96 -1.26 -5.11 118.68 118.06 1gnn s LEU 97 Ca 0.19 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1gnn s LEU 97 Cb 0.02 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.96 1gnn s LEU 97 CO 0.12 0.05 -0.01 0.20 -1.32 0.00 0.00 176.35 175.39 1gnn s ASN 98 N 0.51 0.06 0.00 3.68 -0.87 -1.26 -5.30 114.94 111.77 1gnn s ASN 98 Ca -0.11 -0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 1gnn s ASN 98 Cb -0.14 0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 1gnn s ASN 98 CO 0.02 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.73