#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a03 n ALA 2 N 0.00 0.54 -3.57 3.17 0.00 -1.26 -4.45 120.51 114.95 1a03 n ALA 2 Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 1a03 n ALA 2 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 1a03 n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a03 s SER 3 N 3.71 -0.27 0.23 0.00 1.04 -1.26 -4.97 113.70 112.18 1a03 s SER 3 Ca 0.94 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 57.22 1a03 s SER 3 Cb -0.81 0.34 0.37 0.00 0.10 0.00 0.00 66.02 66.02 1a03 s SER 3 CO 0.55 -0.58 1.72 -0.65 0.98 0.00 0.00 173.24 175.26 1a03 h PRO 4 N 2.00 0.34 0.11 4.02 0.11 -1.98 0.94 132.00 137.53 1a03 h PRO 4 Ca -0.21 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.90 1a03 h PRO 4 Cb 1.22 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1a03 h PRO 4 CO 0.28 0.23 -0.48 1.25 -0.21 0.00 0.00 178.00 179.07 1a03 h LEU 5 N 0.35 -1.43 -0.39 2.35 5.85 -1.96 0.15 115.31 120.23 1a03 h LEU 5 Ca 0.36 0.16 0.04 0.00 0.84 0.00 0.00 57.88 59.27 1a03 h LEU 5 Cb 0.53 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1a03 h LEU 5 CO -0.40 -0.53 0.18 -0.78 -0.34 0.00 0.00 178.44 176.57 1a03 h ASP 6 N -0.71 0.24 -0.61 1.25 3.58 -1.64 -0.37 116.42 118.16 1a03 h ASP 6 Ca 0.01 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.57 1a03 h ASP 6 Cb 0.73 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.70 1a03 h ASP 6 CO -0.27 0.18 0.25 -0.61 -2.88 0.00 0.00 179.24 175.90 1a03 h GLN 7 N 0.36 0.44 0.46 0.28 4.15 -0.61 0.15 115.11 120.34 1a03 h GLN 7 Ca 0.17 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1a03 h GLN 7 Cb 0.11 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1a03 h GLN 7 CO -0.14 0.29 -0.22 0.00 -1.93 0.00 0.00 178.83 176.83 1a03 h ALA 8 N 1.39 -0.62 -0.85 3.38 0.00 0.46 0.61 119.26 123.64 1a03 h ALA 8 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1a03 h ALA 8 Cb 0.33 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1a03 h ALA 8 CO -0.27 -0.70 0.51 -0.84 0.00 0.00 0.00 179.25 177.94 1a03 h ILE 9 N -0.91 1.24 0.14 0.00 3.07 -1.08 -0.51 117.51 119.46 1a03 h ILE 9 Ca -0.06 -0.53 0.02 0.00 1.55 0.00 0.00 64.86 65.84 1a03 h ILE 9 Cb 0.58 0.05 -0.04 0.00 -0.27 0.00 0.00 36.82 37.14 1a03 h ILE 9 CO 0.10 0.25 -0.39 1.23 -1.05 0.00 0.00 178.15 178.29 1a03 h GLY 10 N 1.17 -0.79 0.29 0.16 0.00 -0.59 0.97 103.07 104.27 1a03 h GLY 10 Ca 0.30 0.47 0.08 0.00 0.00 0.00 0.00 47.33 48.18 1a03 h GLY 10 CO -0.06 -0.27 -0.00 1.41 0.00 0.00 0.00 176.54 177.62 1a03 h LEU 11 N -0.64 -0.19 0.75 3.11 3.38 -0.60 0.10 115.31 121.22 1a03 h LEU 11 Ca 0.02 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1a03 h LEU 11 Cb 0.66 0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1a03 h LEU 11 CO -0.21 -0.06 -0.36 0.25 0.09 0.00 0.00 178.44 178.15 1a03 h LEU 12 N 0.11 -0.85 -0.85 1.67 6.46 -0.41 0.14 115.31 121.58 1a03 h LEU 12 Ca 0.21 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1a03 h LEU 12 Cb 0.31 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1a03 h LEU 12 CO -0.36 -0.61 0.08 0.16 -0.62 0.00 0.00 178.44 177.10 1a03 h ILE 13 N -1.01 1.25 0.88 4.05 3.07 -0.76 -0.40 117.51 124.58 1a03 h ILE 13 Ca -0.10 -0.97 -0.04 0.00 1.55 0.00 0.00 64.86 65.29 1a03 h ILE 13 Cb 0.77 0.71 0.01 0.00 -0.27 0.00 0.00 36.82 38.04 1a03 h ILE 13 CO 0.17 0.36 -0.44 1.23 -1.05 0.00 0.00 178.15 178.42 1a03 h GLY 14 N 1.01 -1.26 0.96 0.16 0.00 -0.66 0.12 103.07 103.40 1a03 h GLY 14 Ca 0.18 0.47 0.02 0.00 0.00 0.00 0.00 47.33 48.00 1a03 h GLY 14 CO 0.01 -0.45 0.64 1.19 0.00 0.00 0.00 176.54 177.92 1a03 h ILE 15 N -1.20 1.22 -0.13 2.60 -0.00 -0.65 -0.13 117.51 119.23 1a03 h ILE 15 Ca -0.12 -0.44 0.05 0.00 -0.00 0.00 0.00 64.86 64.35 1a03 h ILE 15 Cb 0.92 -0.17 -0.05 0.00 -0.00 0.00 0.00 36.82 37.52 1a03 h ILE 15 CO 0.19 0.23 -0.20 0.15 -0.00 0.00 0.00 178.15 178.52 1a03 h PHE 16 N 1.28 -0.52 -0.34 2.19 3.57 -0.95 0.16 116.94 122.32 1a03 h PHE 16 Ca 0.37 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.91 1a03 h PHE 16 Cb -0.10 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1a03 h PHE 16 CO -0.00 -0.28 0.23 1.25 -2.23 0.00 0.00 178.31 177.28 1a03 h HIS 17 N -0.25 0.38 0.38 0.41 2.76 0.69 0.14 115.15 119.66 1a03 h HIS 17 Ca 0.10 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1a03 h HIS 17 Cb 0.40 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1a03 h HIS 17 CO -0.31 0.23 -0.18 0.87 -1.30 0.00 0.00 177.93 177.24 1a03 h LYS 18 N 0.40 -0.49 -0.88 5.26 1.79 -0.55 -3.34 116.57 118.76 1a03 h LYS 18 Ca 0.13 0.03 0.22 0.00 -2.18 0.00 0.00 60.65 58.86 1a03 h LYS 18 Cb 0.05 0.11 -0.16 0.00 -1.58 0.00 0.00 32.23 30.65 1a03 h LYS 18 CO -0.03 -0.33 0.02 -0.92 -1.08 0.00 0.00 179.45 177.11 1a03 h TYR 19 N -0.99 -0.05 -1.10 -1.35 3.20 -0.35 0.48 116.97 116.82 1a03 h TYR 19 Ca -0.05 0.06 0.43 0.00 3.14 0.00 0.00 58.73 62.31 1a03 h TYR 19 Cb 0.39 0.16 -0.16 0.00 1.54 0.00 0.00 36.73 38.67 1a03 h TYR 19 CO 0.02 -0.33 0.65 0.43 -1.64 0.00 0.00 178.16 177.29 1a03 n SER 20 N -5.41 0.28 -3.05 -2.11 7.64 0.46 -2.97 113.62 108.46 1a03 n SER 20 Ca 0.18 1.50 -0.15 0.00 1.01 0.00 0.00 58.87 61.40 1a03 n SER 20 Cb 0.61 -0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 1a03 n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a03 n GLY 21 N -1.35 0.90 0.37 0.23 0.00 0.10 -1.94 105.19 103.50 1a03 n GLY 21 Ca 0.37 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1a03 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a03 h LYS 22 N 5.01 0.71 -1.01 1.61 1.79 -1.29 0.24 116.57 123.62 1a03 h LYS 22 Ca 0.12 -0.04 0.26 0.00 -2.18 0.00 0.00 60.65 58.80 1a03 h LYS 22 Cb 1.00 -0.16 -0.12 0.00 -1.58 0.00 0.00 32.23 31.37 1a03 h LYS 22 CO 0.23 0.47 0.60 1.49 -1.08 0.00 0.00 179.45 181.17 1a03 h GLU 23 N 0.73 0.51 0.00 3.15 4.81 -1.90 -3.43 114.58 118.44 1a03 h GLU 23 Ca 0.53 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1a03 h GLU 23 Cb 0.86 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1a03 h GLU 23 CO -0.30 0.33 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 1a03 n GLY 24 N -1.33 0.83 3.53 1.92 0.00 0.77 -5.09 105.19 105.82 1a03 n GLY 24 Ca 0.28 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.76 1a03 n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a03 n ASP 25 N 0.00 1.19 -4.74 1.61 5.75 -0.67 -4.26 116.55 115.43 1a03 n ASP 25 Ca 0.00 -1.87 -0.33 0.00 -0.01 0.00 0.00 54.79 52.58 1a03 n ASP 25 Cb 0.00 -1.57 0.08 0.00 -1.03 0.00 0.00 41.12 38.60 1a03 n ASP 25 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a03 s LYS 26 N 8.45 2.29 0.00 0.11 1.02 -1.26 -4.87 119.74 125.47 1a03 s LYS 26 Ca 0.85 1.55 0.24 0.00 0.02 0.00 0.00 55.97 58.63 1a03 s LYS 26 Cb -0.13 -1.87 0.30 0.00 -0.52 0.00 0.00 37.83 35.61 1a03 s LYS 26 CO 0.15 -1.68 1.27 1.58 -0.92 0.00 0.00 175.35 175.76 1a03 n HIS 27 N -2.82 0.00 -4.33 3.18 -0.00 -1.26 -4.29 115.22 105.69 1a03 n HIS 27 Ca 0.12 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.11 1a03 n HIS 27 Cb 0.51 -0.14 -0.10 0.00 -0.12 0.00 0.00 29.99 30.14 1a03 n HIS 27 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1a03 s THR 28 N -2.88 1.72 -0.17 3.57 -4.23 -1.26 -4.66 115.64 107.72 1a03 s THR 28 Ca 0.13 -2.13 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 1a03 s THR 28 Cb 0.17 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1a03 s THR 28 CO 0.71 -0.54 0.52 -0.22 -0.54 0.00 0.00 174.62 174.54 1a03 s LEU 29 N -3.15 4.19 0.12 4.79 2.96 0.01 -4.61 118.68 123.00 1a03 s LEU 29 Ca 0.20 0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 54.78 1a03 s LEU 29 Cb -0.02 -2.73 -0.06 0.00 0.50 0.00 0.00 46.19 43.89 1a03 s LEU 29 CO 0.06 -0.12 0.42 -0.94 -1.32 0.00 0.00 176.35 174.45 1a03 s SER 30 N 0.97 6.60 0.30 3.68 1.04 -0.82 -0.21 113.70 125.26 1a03 s SER 30 Ca 0.25 0.76 0.05 0.00 0.48 0.00 0.00 55.95 57.49 1a03 s SER 30 Cb -0.15 -2.16 0.73 0.00 0.10 0.00 0.00 66.02 64.53 1a03 s SER 30 CO 0.10 0.10 1.75 0.50 0.98 0.00 0.00 173.24 176.67 1a03 h LYS 31 N 3.27 0.62 -0.40 4.02 3.11 -1.28 -0.50 116.57 125.41 1a03 h LYS 31 Ca -0.48 -0.04 0.07 0.00 -2.81 0.00 0.00 60.65 57.39 1a03 h LYS 31 Cb 1.18 -0.14 -0.09 0.00 -1.00 0.00 0.00 32.23 32.18 1a03 h LYS 31 CO 0.69 0.41 -0.45 -0.22 -2.81 0.00 0.00 179.45 177.07 1a03 h LYS 32 N 0.64 -0.33 -0.17 1.90 3.64 -1.93 0.22 116.57 120.53 1a03 h LYS 32 Ca 0.57 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.79 1a03 h LYS 32 Cb 0.94 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1a03 h LYS 32 CO -0.42 -0.22 -0.64 0.93 -2.27 0.00 0.00 179.45 176.83 1a03 h GLU 33 N -0.34 0.62 -0.38 1.90 4.39 -1.44 0.20 114.58 119.53 1a03 h GLU 33 Ca 0.13 -0.44 0.07 0.00 0.34 0.00 0.00 59.36 59.46 1a03 h GLU 33 Cb 0.59 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.24 1a03 h GLU 33 CO -0.57 1.06 -0.03 1.25 -1.16 0.00 0.00 179.01 179.55 1a03 h LEU 34 N 0.45 -0.22 -0.70 1.33 5.85 -0.90 0.11 115.31 121.23 1a03 h LEU 34 Ca -0.01 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1a03 h LEU 34 Cb 1.21 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1a03 h LEU 34 CO 0.12 -0.07 0.10 0.50 -0.34 0.00 0.00 178.44 178.75 1a03 h LYS 35 N 0.07 1.10 0.04 1.25 1.63 -0.12 0.93 116.57 121.47 1a03 h LYS 35 Ca 0.19 -0.30 0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1a03 h LYS 35 Cb 0.27 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 1a03 h LYS 35 CO -0.34 1.01 -0.20 0.93 -3.45 0.00 0.00 179.45 177.40 1a03 h GLU 36 N 1.03 -0.33 -0.24 1.90 5.08 -0.56 -0.26 114.58 121.19 1a03 h GLU 36 Ca 0.20 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1a03 h GLU 36 Cb 0.45 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1a03 h GLU 36 CO 0.01 -0.22 -0.10 1.25 -1.00 0.00 0.00 179.01 178.95 1a03 h LEU 37 N -0.34 -0.35 0.03 1.33 5.85 -0.23 -0.15 115.31 121.45 1a03 h LEU 37 Ca 0.05 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1a03 h LEU 37 Cb 0.40 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1a03 h LEU 37 CO -0.16 -0.14 -0.26 0.40 -0.34 0.00 0.00 178.44 177.95 1a03 h ILE 38 N -0.07 0.42 -0.25 4.05 2.04 -0.67 0.21 117.51 123.25 1a03 h ILE 38 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1a03 h ILE 38 Cb 0.26 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1a03 h ILE 38 CO -0.29 0.00 -0.05 1.56 0.00 0.00 0.00 178.15 179.38 1a03 h GLN 39 N -0.42 0.02 -0.00 2.37 4.20 -0.62 0.22 115.11 120.88 1a03 h GLN 39 Ca 0.05 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1a03 h GLN 39 Cb 0.48 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1a03 h GLN 39 CO -0.20 0.01 -0.06 0.87 -0.67 0.00 0.00 178.83 178.78 1a03 h LYS 40 N 0.02 -0.10 -0.98 1.46 1.57 -0.71 -0.44 116.57 117.39 1a03 h LYS 40 Ca 0.12 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.02 1a03 h LYS 40 Cb 0.18 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1a03 h LYS 40 CO -0.24 -0.07 0.62 1.49 -0.57 0.00 0.00 179.45 180.68 1a03 h GLU 41 N -0.11 0.96 0.46 3.15 4.81 -0.17 -2.09 114.58 121.59 1a03 h GLU 41 Ca 0.03 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1a03 h GLU 41 Cb 0.14 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1a03 h GLU 41 CO -0.07 0.63 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.56 1a03 h LEU 42 N 0.98 -0.52 0.00 1.64 3.38 0.08 -3.42 115.31 117.46 1a03 h LEU 42 Ca 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1a03 h LEU 42 Cb 0.44 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1a03 h LEU 42 CO -0.23 -0.26 0.00 0.41 0.09 0.00 0.00 178.44 178.45 1a03 n THR 43 N -5.29 0.00 -1.30 0.22 -1.04 -0.23 -0.41 114.28 106.22 1a03 n THR 43 Ca -0.11 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.92 1a03 n THR 43 Cb 0.29 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.82 1a03 n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1a03 n ILE 44 N 0.00 0.49 -1.37 12.58 -0.00 -1.26 -5.00 119.36 124.80 1a03 n ILE 44 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 62.75 62.19 1a03 n ILE 44 Cb 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 39.64 40.13 1a03 n ILE 44 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1a03 n GLY 45 N -0.34 0.68 2.07 3.28 0.00 0.45 -4.94 105.19 106.39 1a03 n GLY 45 Ca 0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1a03 n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a03 n SER 46 N -1.27 4.97 0.00 1.61 3.41 -0.77 -4.88 113.62 116.69 1a03 n SER 46 Ca 0.00 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 1a03 n SER 46 Cb 0.46 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1a03 n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a03 n LYS 47 N 2.63 0.00 -0.23 4.33 4.76 -1.26 -0.69 118.16 127.69 1a03 n LYS 47 Ca 0.41 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.89 1a03 n LYS 47 Cb 0.79 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 34.13 1a03 n LYS 47 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1a03 h LEU 48 N 0.00 -0.14 -1.71 -0.35 5.85 -1.99 0.19 115.31 117.16 1a03 h LEU 48 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1a03 h LEU 48 Cb 0.00 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1a03 h LEU 48 CO 0.00 -0.08 0.02 1.56 -0.34 0.00 0.00 178.44 179.60 1a03 h GLN 49 N 0.19 0.20 -0.14 1.25 7.50 -1.23 0.13 115.11 123.00 1a03 h GLN 49 Ca 0.38 -0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.42 1a03 h GLN 49 Cb 0.64 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.13 1a03 h GLN 49 CO -0.53 0.20 -0.25 -0.44 -1.50 0.00 0.00 178.83 176.30 1a03 h ASP 50 N 0.20 0.47 -0.80 1.46 5.19 -0.86 0.33 116.42 122.40 1a03 h ASP 50 Ca 0.05 -0.54 0.11 0.00 -0.62 0.00 0.00 57.03 56.03 1a03 h ASP 50 Cb 0.11 -0.14 -0.08 0.00 0.18 0.00 0.00 39.33 39.40 1a03 h ASP 50 CO -0.00 0.93 0.42 0.00 -3.12 0.00 0.00 179.24 177.47 1a03 h ALA 51 N 0.56 1.16 -0.93 3.45 0.00 -0.66 0.17 119.26 123.01 1a03 h ALA 51 Ca 0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1a03 h ALA 51 Cb 0.84 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1a03 h ALA 51 CO 0.06 -0.02 0.61 1.49 0.00 0.00 0.00 179.25 181.39 1a03 h GLU 52 N 0.67 1.17 -0.35 0.00 4.81 -0.47 -0.45 114.58 119.96 1a03 h GLU 52 Ca 0.41 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 1a03 h GLU 52 Cb 0.47 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1a03 h GLU 52 CO -0.30 0.77 -0.23 0.82 -0.73 0.00 0.00 179.01 179.35 1a03 h ILE 53 N 1.20 1.29 0.05 2.32 2.04 0.21 0.14 117.51 124.76 1a03 h ILE 53 Ca 0.36 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1a03 h ILE 53 Cb -0.06 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1a03 h ILE 53 CO -0.10 0.45 -0.17 0.58 0.00 0.00 0.00 178.15 178.92 1a03 h VAL 54 N 0.57 0.60 0.19 1.67 2.07 -0.39 0.13 116.25 121.09 1a03 h VAL 54 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1a03 h VAL 54 Cb 0.79 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1a03 h VAL 54 CO 0.06 0.00 -0.37 0.50 0.02 0.00 0.00 177.57 177.79 1a03 h LYS 55 N -0.30 -0.62 -0.17 1.57 3.64 -0.97 -0.16 116.57 119.56 1a03 h LYS 55 Ca 0.04 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1a03 h LYS 55 Cb 0.34 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1a03 h LYS 55 CO -0.13 -0.41 -0.38 1.25 -2.27 0.00 0.00 179.45 177.51 1a03 h LEU 56 N -0.64 -1.23 0.07 5.20 5.85 -0.50 0.66 115.31 124.71 1a03 h LEU 56 Ca 0.01 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1a03 h LEU 56 Cb 0.64 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1a03 h LEU 56 CO -0.17 -0.31 -0.21 -0.03 -0.34 0.00 0.00 178.44 177.37 1a03 h MET 57 N -0.35 -0.37 0.11 1.25 4.05 -0.65 0.15 114.93 119.13 1a03 h MET 57 Ca 0.03 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1a03 h MET 57 Cb 0.45 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1a03 h MET 57 CO -0.35 -0.24 -0.23 0.22 0.23 0.00 0.00 176.91 176.54 1a03 h ASP 58 N -0.38 -0.65 -0.30 1.39 3.58 -0.82 0.83 116.42 120.07 1a03 h ASP 58 Ca 0.04 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1a03 h ASP 58 Cb 0.42 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1a03 h ASP 58 CO -0.15 -0.32 0.02 -0.78 -2.88 0.00 0.00 179.24 175.14 1a03 h ASP 59 N -0.43 0.51 0.07 2.28 1.82 -0.66 -3.37 116.42 116.64 1a03 h ASP 59 Ca 0.03 -0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1a03 h ASP 59 Cb 0.45 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1a03 h ASP 59 CO -0.13 0.67 -0.03 0.25 -1.61 0.00 0.00 179.24 178.39 1a03 h LEU 60 N 0.33 -0.08 -5.97 2.28 5.85 -0.57 -3.40 115.31 113.76 1a03 h LEU 60 Ca 0.09 -0.39 -0.72 0.00 0.84 0.00 0.00 57.88 57.70 1a03 h LEU 60 Cb 0.40 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1a03 h LEU 60 CO 0.01 0.58 2.81 0.47 -0.34 0.00 0.00 178.44 181.97 1a03 n ASP 61 N -4.79 5.37 -3.91 1.25 8.00 0.27 -4.81 116.55 117.94 1a03 n ASP 61 Ca -0.05 -2.92 -0.41 0.00 0.71 0.00 0.00 54.79 52.12 1a03 n ASP 61 Cb 0.22 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.74 1a03 n ASP 61 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1a03 n ARG 62 N 4.58 2.22 0.00 -1.24 5.12 -1.26 -4.49 116.66 121.59 1a03 n ARG 62 Ca 0.53 -2.39 0.00 0.00 -1.93 0.00 0.00 57.85 54.06 1a03 n ARG 62 Cb 0.34 -3.23 0.00 0.00 -1.16 0.00 0.00 32.46 28.41 1a03 n ARG 62 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1a03 n ASN 63 N 7.99 0.00 -4.55 0.55 3.02 -1.26 -4.87 115.26 116.13 1a03 n ASN 63 Ca 0.50 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.68 1a03 n ASN 63 Cb 0.41 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 1a03 n ASN 63 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a03 n LYS 64 N 0.00 1.09 0.03 3.52 5.02 -1.26 -4.65 118.16 121.91 1a03 n LYS 64 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1a03 n LYS 64 Cb 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 35.03 31.68 1a03 n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1a03 n ASP 65 N 15.19 0.28 -0.30 4.39 -0.08 -1.26 -4.44 116.55 130.33 1a03 n ASP 65 Ca 0.38 0.10 0.12 0.00 -1.51 0.00 0.00 54.79 53.87 1a03 n ASP 65 Cb 0.51 -0.04 0.27 0.00 2.34 0.00 0.00 41.12 44.19 1a03 n ASP 65 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1a03 h GLN 66 N 0.00 0.14 -3.46 -0.67 -0.00 -1.93 -3.36 115.11 105.83 1a03 h GLN 66 Ca 0.00 -0.01 -0.21 0.00 -0.00 0.00 0.00 58.65 58.43 1a03 h GLN 66 Cb 0.43 -0.03 -0.28 0.00 -0.00 0.00 0.00 27.48 27.60 1a03 h GLN 66 CO 0.00 0.09 -0.60 -2.00 -0.00 0.00 0.00 178.83 176.32 1a03 s GLU 67 N -5.98 0.11 0.01 0.06 2.12 -1.26 -1.16 118.70 112.60 1a03 s GLU 67 Ca -0.12 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.46 1a03 s GLU 67 Cb 0.26 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 1a03 s GLU 67 CO 0.77 -0.03 -0.25 0.08 -0.54 0.00 0.00 175.26 175.28 1a03 s VAL 68 N 0.20 2.19 0.09 3.70 1.01 0.71 -4.69 120.40 123.60 1a03 s VAL 68 Ca -0.01 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1a03 s VAL 68 Cb -0.02 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1a03 s VAL 68 CO -0.01 0.48 0.44 0.21 0.00 0.00 0.00 175.10 176.22 1a03 s ASN 69 N -0.93 6.71 0.33 3.32 3.84 -1.26 -0.81 114.94 126.14 1a03 s ASN 69 Ca 0.11 0.89 0.10 0.00 0.21 0.00 0.00 52.86 54.17 1a03 s ASN 69 Cb -0.10 -2.22 0.97 0.00 -0.55 0.00 0.00 41.25 39.35 1a03 s ASN 69 CO 0.01 0.17 1.62 0.15 -2.79 0.00 0.00 177.10 176.26 1a03 h PHE 70 N 3.81 0.51 -0.74 0.43 3.57 -1.97 0.14 116.94 122.70 1a03 h PHE 70 Ca -0.49 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.15 1a03 h PHE 70 Cb 1.20 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.80 1a03 h PHE 70 CO 0.67 -0.32 0.38 0.37 -2.23 0.00 0.00 178.31 177.17 1a03 h GLN 71 N 0.13 0.62 -0.30 1.11 -0.00 -1.98 0.17 115.11 114.87 1a03 h GLN 71 Ca 0.68 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 59.27 1a03 h GLN 71 Cb 1.56 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 28.89 1a03 h GLN 71 CO -0.74 0.41 0.09 0.93 0.00 0.00 0.00 178.83 179.53 1a03 h GLU 72 N 0.64 0.46 -0.58 1.69 5.08 -1.06 -1.00 114.58 119.82 1a03 h GLU 72 Ca 0.36 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.71 1a03 h GLU 72 Cb 0.37 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1a03 h GLU 72 CO -0.27 0.52 0.20 -0.92 -1.00 0.00 0.00 179.01 177.54 1a03 h TYR 73 N 0.32 0.35 0.17 4.33 3.20 -1.01 0.13 116.97 124.46 1a03 h TYR 73 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1a03 h TYR 73 Cb 0.25 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1a03 h TYR 73 CO 0.01 0.09 -0.15 0.82 -1.64 0.00 0.00 178.16 177.29 1a03 h ILE 74 N 0.38 0.68 -0.85 1.81 1.08 -0.19 0.36 117.51 120.78 1a03 h ILE 74 Ca 0.29 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.78 1a03 h ILE 74 Cb 0.35 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 1a03 h ILE 74 CO -0.30 0.00 0.56 0.71 -0.69 0.00 0.00 178.15 178.43 1a03 h THR 75 N -0.33 1.17 -0.86 -0.27 1.35 -0.81 -0.46 112.91 112.70 1a03 h THR 75 Ca -0.00 -0.38 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1a03 h THR 75 Cb 0.30 -0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 66.66 1a03 h THR 75 CO -0.03 0.20 0.52 0.15 -0.25 0.00 0.00 175.52 176.12 1a03 h PHE 76 N 1.09 1.13 -0.16 4.73 3.57 -0.15 0.92 116.94 128.07 1a03 h PHE 76 Ca 0.33 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1a03 h PHE 76 Cb -0.04 -0.37 -0.06 0.00 2.79 0.00 0.00 35.95 38.27 1a03 h PHE 76 CO -0.00 0.75 -0.20 1.25 -2.23 0.00 0.00 178.31 177.88 1a03 h LEU 77 N 1.19 -0.63 0.22 0.59 6.46 0.13 0.21 115.31 123.48 1a03 h LEU 77 Ca 0.31 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1a03 h LEU 77 Cb -0.05 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 1a03 h LEU 77 CO -0.06 -0.25 -0.43 1.23 -0.62 0.00 0.00 178.44 178.31 1a03 h GLY 78 N -0.24 -0.93 0.66 3.75 0.00 -0.48 0.78 103.07 106.60 1a03 h GLY 78 Ca 0.11 0.51 0.06 0.00 0.00 0.00 0.00 47.33 48.01 1a03 h GLY 78 CO -0.30 -0.29 0.39 0.00 0.00 0.00 0.00 176.54 176.34 1a03 h ALA 79 N -0.33 0.94 0.77 3.60 0.00 -0.49 0.95 119.26 124.71 1a03 h ALA 79 Ca -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1a03 h ALA 79 Cb 0.72 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1a03 h ALA 79 CO -0.19 0.06 -0.37 1.25 0.00 0.00 0.00 179.25 180.01 1a03 h LEU 80 N 0.71 -0.88 -1.20 0.00 5.85 -0.43 -3.13 115.31 116.23 1a03 h LEU 80 Ca 0.32 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.22 1a03 h LEU 80 Cb 0.21 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1a03 h LEU 80 CO -0.19 -0.55 0.60 0.00 -0.34 0.00 0.00 178.44 177.96 1a03 h ALA 81 N -1.05 1.81 -0.99 1.25 0.00 -0.51 0.37 119.26 120.16 1a03 h ALA 81 Ca -0.11 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.06 1a03 h ALA 81 Cb 0.81 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1a03 h ALA 81 CO 0.17 -0.11 0.63 1.98 0.00 0.00 0.00 179.25 181.92 1a03 h MET 82 N 0.70 0.51 -0.41 0.00 1.85 -0.76 0.12 114.93 116.94 1a03 h MET 82 Ca 0.51 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.62 1a03 h MET 82 Cb 0.85 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.74 1a03 h MET 82 CO -0.27 0.34 0.28 0.82 -0.40 0.00 0.00 176.91 177.68 1a03 h ILE 83 N 0.53 0.97 0.00 1.77 1.08 -0.95 0.64 117.51 121.55 1a03 h ILE 83 Ca 0.55 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.90 1a03 h ILE 83 Cb 1.19 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1a03 h ILE 83 CO -0.29 0.06 0.00 -1.22 -0.69 0.00 0.00 178.15 176.01 1a03 n TYR 84 N -4.48 0.00 0.00 1.37 4.02 0.41 -4.67 117.16 113.81 1a03 n TYR 84 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1a03 n TYR 84 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1a03 n TYR 84 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1a03 n ASN 85 N -0.63 0.00 0.04 7.72 0.23 0.22 0.05 115.26 122.89 1a03 n ASN 85 Ca 0.05 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.99 1a03 n ASN 85 Cb 0.02 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.68 1a03 n ASN 85 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1a03 h GLU 86 N 0.00 -0.20 -0.32 -3.83 5.08 -1.88 -0.21 114.58 113.23 1a03 h GLU 86 Ca 0.00 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1a03 h GLU 86 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1a03 h GLU 86 CO 0.00 -0.14 -0.40 0.00 -1.00 0.00 0.00 179.01 177.47 1a03 h ALA 87 N 0.77 0.69 0.10 3.43 0.00 -0.76 0.15 119.26 123.64 1a03 h ALA 87 Ca 0.06 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1a03 h ALA 87 Cb 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1a03 h ALA 87 CO -0.16 0.67 -0.26 1.25 0.00 0.00 0.00 179.25 180.74 1a03 h LEU 88 N 0.63 -0.75 -0.05 0.00 5.85 -0.34 -3.02 115.31 117.62 1a03 h LEU 88 Ca 0.05 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1a03 h LEU 88 Cb 0.96 0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.28 1a03 h LEU 88 CO 0.09 -0.35 -0.37 0.07 -0.34 0.00 0.00 178.44 177.54 1a03 h LYS 89 N -0.46 0.35 0.00 1.25 2.10 -1.09 -3.50 116.57 115.22 1a03 h LYS 89 Ca 0.03 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1a03 h LYS 89 Cb 0.50 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1a03 h LYS 89 CO -0.16 0.96 0.00 0.41 -2.00 0.00 0.00 179.45 178.66