#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 1.56 -0.29 3.04 0.00 -1.26 -4.81 120.51 118.74 1a03 n ALA 2 Ca 0.00 -2.83 0.12 0.00 0.00 0.00 0.00 53.44 50.73 1a03 n ALA 2 Cb 0.00 -3.52 0.28 0.00 0.00 0.00 0.00 19.45 16.21 1a03 n ALA 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1a03 h SER 3 N 9.88 0.04 0.08 0.00 0.02 -2.05 0.13 113.55 121.66 1a03 h SER 3 Ca 0.21 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.37 1a03 h SER 3 Cb 0.86 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 1a03 h SER 3 CO 1.44 -0.13 -0.28 -0.65 -1.14 0.00 0.00 176.83 176.07 1a03 h PRO 4 N 0.23 -0.46 -0.54 3.45 0.11 -1.99 0.30 132.00 133.10 1a03 h PRO 4 Ca 0.54 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.68 1a03 h PRO 4 Cb 1.07 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1a03 h PRO 4 CO -0.63 -0.31 0.33 1.25 -0.21 0.00 0.00 178.00 178.44 1a03 h LEU 5 N -0.48 0.65 -0.37 2.35 5.85 -1.26 -0.80 115.31 121.26 1a03 h LEU 5 Ca 0.04 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1a03 h LEU 5 Cb 0.52 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1a03 h LEU 5 CO -0.19 0.51 0.17 0.44 -0.34 0.00 0.00 178.44 179.03 1a03 h ASP 6 N 0.73 0.23 -0.83 1.25 3.32 -0.59 0.19 116.42 120.71 1a03 h ASP 6 Ca 0.20 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1a03 h ASP 6 Cb -0.02 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1a03 h ASP 6 CO -0.04 0.17 0.55 1.56 -1.72 0.00 0.00 179.24 179.76 1a03 h GLN 7 N 0.35 1.07 0.14 3.56 4.20 -0.71 0.10 115.11 123.81 1a03 h GLN 7 Ca 0.16 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1a03 h GLN 7 Cb 0.09 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1a03 h GLN 7 CO -0.13 0.71 -0.07 0.00 -0.67 0.00 0.00 178.83 178.67 1a03 h ALA 8 N 1.32 -0.19 -0.13 3.87 0.00 0.40 0.10 119.26 124.65 1a03 h ALA 8 Ca 0.32 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1a03 h ALA 8 Cb -0.08 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1a03 h ALA 8 CO -0.08 -0.55 -0.23 0.82 0.00 0.00 0.00 179.25 179.21 1a03 h ILE 9 N -0.30 0.44 -0.48 0.00 1.08 -0.60 0.15 117.51 117.80 1a03 h ILE 9 Ca -0.02 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.55 1a03 h ILE 9 Cb 0.24 0.44 -0.10 0.00 -3.07 0.00 0.00 36.82 34.33 1a03 h ILE 9 CO 0.03 0.00 -0.19 1.23 -0.69 0.00 0.00 178.15 178.53 1a03 h GLY 10 N -0.30 0.19 0.96 5.37 0.00 -0.51 0.12 103.07 108.90 1a03 h GLY 10 Ca 0.10 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1a03 h GLY 10 CO -0.30 -0.21 -0.35 -2.00 0.00 0.00 0.00 176.54 173.69 1a03 h LEU 11 N -0.08 -0.84 -0.20 3.11 6.46 -0.34 0.17 115.31 123.59 1a03 h LEU 11 Ca 0.23 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1a03 h LEU 11 Cb 0.44 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1a03 h LEU 11 CO -0.54 -0.57 0.03 -0.07 -0.62 0.00 0.00 178.44 176.66 1a03 h LEU 12 N -0.93 -0.01 0.29 2.25 3.38 -0.47 0.11 115.31 119.92 1a03 h LEU 12 Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a03 h LEU 12 Cb 0.73 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1a03 h LEU 12 CO 0.13 0.02 -0.32 0.40 0.09 0.00 0.00 178.44 178.76 1a03 h ILE 13 N 0.10 0.34 -0.06 1.22 1.08 -0.81 -1.72 117.51 117.66 1a03 h ILE 13 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 1a03 h ILE 13 Cb 0.09 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.12 1a03 h ILE 13 CO -0.13 0.00 -0.49 1.23 -0.69 0.00 0.00 178.15 178.07 1a03 h GLY 14 N -0.65 -0.96 1.00 5.37 0.00 0.17 0.32 103.07 108.32 1a03 h GLY 14 Ca -0.01 0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.92 1a03 h GLY 14 CO -0.08 -0.23 -0.05 1.19 0.00 0.00 0.00 176.54 177.37 1a03 h ILE 15 N -0.60 0.89 -0.88 2.60 2.10 -0.85 -2.38 117.51 118.39 1a03 h ILE 15 Ca 0.04 0.00 0.06 0.00 1.08 0.00 0.00 64.86 66.03 1a03 h ILE 15 Cb 0.69 0.89 -0.06 0.00 -1.09 0.00 0.00 36.82 37.25 1a03 h ILE 15 CO -0.38 0.00 0.57 0.15 -1.08 0.00 0.00 178.15 177.42 1a03 h PHE 16 N -0.14 1.02 -0.33 2.19 3.04 -0.95 -1.72 116.94 120.04 1a03 h PHE 16 Ca -0.01 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1a03 h PHE 16 Cb 0.11 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.27 1a03 h PHE 16 CO -0.07 0.55 0.08 1.25 -2.02 0.00 0.00 178.31 178.10 1a03 h HIS 17 N 1.02 0.49 -0.11 0.41 2.76 0.04 -0.67 115.15 119.09 1a03 h HIS 17 Ca 0.37 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.54 1a03 h HIS 17 Cb 0.15 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 1a03 h HIS 17 CO -0.00 0.43 -0.06 0.87 -1.30 0.00 0.00 177.93 177.87 1a03 h LYS 18 N 0.48 -0.05 -0.31 5.26 1.79 -0.81 0.31 116.57 123.24 1a03 h LYS 18 Ca 0.11 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.51 1a03 h LYS 18 Cb 0.19 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1a03 h LYS 18 CO -0.00 -0.03 -0.11 1.88 -1.08 0.00 0.00 179.45 180.10 1a03 h TYR 19 N -0.05 0.71 -0.52 -1.35 0.05 -1.53 -2.75 116.97 111.52 1a03 h TYR 19 Ca 0.06 -0.17 0.09 0.00 0.05 0.00 0.00 58.73 58.77 1a03 h TYR 19 Cb 0.14 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 37.64 1a03 h TYR 19 CO -0.18 0.83 0.09 0.77 -1.05 0.00 0.00 178.16 178.62 1a03 h SER 20 N 0.39 -0.03 -0.61 3.88 0.02 -0.91 -3.17 113.55 113.12 1a03 h SER 20 Ca 0.07 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1a03 h SER 20 Cb 0.62 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1a03 h SER 20 CO 0.04 0.01 0.33 1.23 -1.14 0.00 0.00 176.83 177.29 1a03 h GLY 21 N 0.22 0.92 -3.84 -3.77 0.00 -0.11 0.11 103.07 96.61 1a03 h GLY 21 Ca 0.27 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1a03 h GLY 21 CO -0.36 0.41 -0.19 0.58 0.00 0.00 0.00 176.54 176.98 1a03 n LYS 22 N -4.55 1.47 0.00 4.80 2.85 -1.06 -2.22 118.16 119.44 1a03 n LYS 22 Ca 0.04 -0.60 0.00 0.00 -1.05 0.00 0.00 58.31 56.70 1a03 n LYS 22 Cb 0.10 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 1a03 n LYS 22 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1a03 n GLU 23 N 2.27 0.00 0.00 -1.58 2.13 -1.21 -5.04 120.64 117.20 1a03 n GLU 23 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1a03 n GLU 23 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.40 1a03 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a03 n GLY 24 N -0.60 1.80 2.58 8.31 0.00 0.38 -4.75 105.19 112.91 1a03 n GLY 24 Ca 0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1a03 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a03 n ASP 25 N 3.96 5.88 0.00 1.61 8.00 -1.26 -4.62 116.55 130.12 1a03 n ASP 25 Ca 0.00 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.91 1a03 n ASP 25 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.68 1a03 n ASP 25 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1a03 n LYS 26 N 4.78 0.00 0.00 -1.24 2.85 -1.26 -5.05 118.16 118.24 1a03 n LYS 26 Ca 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.87 1a03 n LYS 26 Cb 0.27 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.65 1a03 n LYS 26 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1a03 n HIS 27 N 0.00 0.00 -2.61 5.58 1.44 -1.26 -5.12 115.22 113.25 1a03 n HIS 27 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1a03 n HIS 27 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 1a03 n HIS 27 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1a03 s THR 28 N 0.00 2.51 -0.01 0.61 -4.23 -1.26 -4.29 115.64 108.97 1a03 s THR 28 Ca 0.00 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1a03 s THR 28 Cb 0.00 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1a03 s THR 28 CO 0.00 0.00 0.20 -0.76 -0.54 0.00 0.00 174.62 173.52 1a03 s LEU 29 N -4.87 4.37 0.23 4.79 1.43 0.32 -4.80 118.68 120.15 1a03 s LEU 29 Ca 0.60 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 1a03 s LEU 29 Cb -0.09 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1a03 s LEU 29 CO 0.40 0.27 0.36 -0.94 0.23 0.00 0.00 176.35 176.67 1a03 s SER 30 N -1.81 6.32 0.37 2.29 1.04 -1.26 -0.44 113.70 120.21 1a03 s SER 30 Ca 0.27 0.11 0.16 0.00 0.48 0.00 0.00 55.95 56.96 1a03 s SER 30 Cb -0.13 -1.88 1.04 0.00 0.10 0.00 0.00 66.02 65.15 1a03 s SER 30 CO 0.17 -0.06 1.75 0.50 0.98 0.00 0.00 173.24 176.58 1a03 h LYS 31 N 1.34 0.44 -0.66 4.02 1.63 -1.18 0.17 116.57 122.33 1a03 h LYS 31 Ca -0.51 -0.03 0.13 0.00 -0.85 0.00 0.00 60.65 59.39 1a03 h LYS 31 Cb 1.22 -0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.66 1a03 h LYS 31 CO 0.62 0.29 0.16 0.87 -3.45 0.00 0.00 179.45 177.94 1a03 h LYS 32 N 0.45 0.28 -0.53 1.90 1.79 -1.95 0.65 116.57 119.16 1a03 h LYS 32 Ca 0.62 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 59.05 1a03 h LYS 32 Cb 1.44 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.01 1a03 h LYS 32 CO -0.37 0.18 0.22 0.93 -1.08 0.00 0.00 179.45 179.33 1a03 h GLU 33 N 0.28 0.79 -0.11 3.15 4.39 -1.03 0.12 114.58 122.18 1a03 h GLU 33 Ca 0.36 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1a03 h GLU 33 Cb 0.55 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1a03 h GLU 33 CO -0.44 0.69 0.07 -0.07 -1.16 0.00 0.00 179.01 178.10 1a03 h LEU 34 N 0.72 0.12 -0.73 1.33 3.38 -1.07 0.11 115.31 119.17 1a03 h LEU 34 Ca 0.18 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1a03 h LEU 34 Cb 0.19 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1a03 h LEU 34 CO -0.02 0.09 0.46 0.50 0.09 0.00 0.00 178.44 179.56 1a03 h LYS 35 N 0.14 0.87 0.22 1.13 1.63 -0.63 0.14 116.57 120.07 1a03 h LYS 35 Ca 0.04 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1a03 h LYS 35 Cb -0.02 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 1a03 h LYS 35 CO -0.01 0.57 -0.23 1.49 -3.45 0.00 0.00 179.45 177.83 1a03 h GLU 36 N 0.89 -0.47 0.01 1.90 4.22 -0.42 -0.78 114.58 119.93 1a03 h GLU 36 Ca 0.29 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.78 1a03 h GLU 36 Cb 0.02 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1a03 h GLU 36 CO -0.11 -0.31 -0.10 1.25 -2.18 0.00 0.00 179.01 177.56 1a03 h LEU 37 N -0.48 -0.29 -0.50 1.64 5.85 -0.25 0.15 115.31 121.42 1a03 h LEU 37 Ca -0.00 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1a03 h LEU 37 Cb 0.45 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 1a03 h LEU 37 CO -0.05 -0.15 0.03 0.40 -0.34 0.00 0.00 178.44 178.33 1a03 h ILE 38 N -0.18 0.64 -0.92 4.05 5.03 -0.68 0.48 117.51 125.93 1a03 h ILE 38 Ca 0.04 -0.05 -0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1a03 h ILE 38 Cb 0.22 0.47 -0.04 0.00 -3.03 0.00 0.00 36.82 34.44 1a03 h ILE 38 CO -0.10 0.03 0.57 1.56 -0.68 0.00 0.00 178.15 179.53 1a03 h GLN 39 N 0.15 1.23 -0.16 2.37 4.20 -0.52 0.29 115.11 122.68 1a03 h GLN 39 Ca 0.26 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.87 1a03 h GLN 39 Cb 0.38 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1a03 h GLN 39 CO -0.39 0.85 0.09 -0.22 -0.67 0.00 0.00 178.83 178.48 1a03 h LYS 40 N 1.26 0.18 -0.41 1.46 3.64 0.84 -1.41 116.57 122.14 1a03 h LYS 40 Ca 0.33 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1a03 h LYS 40 Cb -0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1a03 h LYS 40 CO -0.07 0.12 0.10 0.93 -2.27 0.00 0.00 179.45 178.26 1a03 h GLU 41 N 0.19 0.61 0.00 1.90 4.39 -0.72 -3.44 114.58 117.51 1a03 h GLU 41 Ca 0.06 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1a03 h GLU 41 Cb -0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1a03 h GLU 41 CO -0.03 0.56 0.00 -0.11 -1.16 0.00 0.00 179.01 178.27 1a03 n LEU 42 N -4.32 0.00 0.00 1.33 7.94 0.10 -0.96 117.00 121.10 1a03 n LEU 42 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1a03 n LEU 42 Cb 0.20 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.15 1a03 n LEU 42 CO 0.38 0.00 0.00 1.07 -1.11 0.00 0.00 177.39 177.73 1a03 n THR 43 N 0.00 0.00 0.00 1.96 5.66 -1.26 -4.82 114.28 115.82 1a03 n THR 43 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1a03 n THR 43 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1a03 n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a03 n ILE 44 N 0.00 0.00 0.00 1.09 3.06 -0.13 -5.02 119.36 118.36 1a03 n ILE 44 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1a03 n ILE 44 Cb 0.00 -0.15 0.00 0.00 0.54 0.00 0.00 39.64 40.03 1a03 n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1a03 n GLY 45 N -0.55 0.06 2.57 4.50 0.00 -0.31 -0.67 105.19 110.79 1a03 n GLY 45 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1a03 n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a03 n SER 46 N 0.13 -0.32 0.00 1.61 7.64 -1.26 -5.03 113.62 116.39 1a03 n SER 46 Ca 0.00 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1a03 n SER 46 Cb 0.00 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1a03 n SER 46 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1a03 n LYS 47 N -0.03 0.00 -0.27 1.43 3.00 0.16 -0.92 118.16 121.53 1a03 n LYS 47 Ca 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.44 1a03 n LYS 47 Cb 0.76 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.97 1a03 n LYS 47 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1a03 h LEU 48 N 0.00 0.51 -1.06 3.14 4.07 -1.99 0.19 115.31 120.17 1a03 h LEU 48 Ca 0.00 0.07 0.18 0.00 0.08 0.00 0.00 57.88 58.21 1a03 h LEU 48 Cb 0.00 -0.02 -0.10 0.00 1.08 0.00 0.00 40.66 41.63 1a03 h LEU 48 CO 0.00 0.27 0.62 -0.61 -1.08 0.00 0.00 178.44 177.63 1a03 h GLN 49 N 0.64 0.76 0.19 1.13 5.75 -1.40 0.74 115.11 122.91 1a03 h GLN 49 Ca 0.40 -0.05 -0.26 0.00 -0.15 0.00 0.00 58.65 58.59 1a03 h GLN 49 Cb 0.46 -0.17 0.03 0.00 1.07 0.00 0.00 27.48 28.87 1a03 h GLN 49 CO -0.30 0.50 -1.16 -0.44 -2.65 0.00 0.00 178.83 174.77 1a03 h ASP 50 N 0.78 0.64 -0.61 -0.69 5.19 -0.93 -0.40 116.42 120.40 1a03 h ASP 50 Ca 0.55 -0.94 0.12 0.00 -0.62 0.00 0.00 57.03 56.14 1a03 h ASP 50 Cb 0.84 -0.21 -0.09 0.00 0.18 0.00 0.00 39.33 40.05 1a03 h ASP 50 CO -0.33 1.56 0.11 0.00 -3.12 0.00 0.00 179.24 177.45 1a03 h ALA 51 N 0.11 0.70 -0.21 3.45 0.00 -0.50 0.33 119.26 123.14 1a03 h ALA 51 Ca -0.21 0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1a03 h ALA 51 Cb 1.90 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 1a03 h ALA 51 CO 0.21 -0.32 -0.06 1.49 0.00 0.00 0.00 179.25 180.56 1a03 h GLU 52 N 0.23 -0.01 -0.05 0.00 4.81 -0.83 -0.65 114.58 118.08 1a03 h GLU 52 Ca 0.32 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.38 1a03 h GLU 52 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1a03 h GLU 52 CO -0.43 -0.01 -0.71 0.82 -0.73 0.00 0.00 179.01 177.96 1a03 h ILE 53 N -0.01 1.41 -0.02 2.32 2.04 0.73 0.13 117.51 124.12 1a03 h ILE 53 Ca 0.10 -2.20 -0.00 0.00 1.00 0.00 0.00 64.86 63.76 1a03 h ILE 53 Cb 0.16 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1a03 h ILE 53 CO -0.22 0.65 0.00 0.58 0.00 0.00 0.00 178.15 179.16 1a03 h VAL 54 N 0.18 1.23 -0.40 1.67 2.07 -0.38 0.11 116.25 120.74 1a03 h VAL 54 Ca -0.02 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1a03 h VAL 54 Cb 1.27 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 1a03 h VAL 54 CO 0.11 0.18 0.04 0.50 0.02 0.00 0.00 177.57 178.42 1a03 h LYS 55 N -0.24 0.15 0.24 1.57 3.64 -0.99 0.32 116.57 121.24 1a03 h LYS 55 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a03 h LYS 55 Cb 0.29 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1a03 h LYS 55 CO 0.00 0.10 -0.48 1.25 -2.27 0.00 0.00 179.45 178.05 1a03 h LEU 56 N 0.15 -1.39 -0.08 5.20 6.46 -0.56 -0.13 115.31 124.95 1a03 h LEU 56 Ca 0.19 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 58.13 1a03 h LEU 56 Cb 0.26 0.49 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 1a03 h LEU 56 CO -0.29 -0.54 -0.41 -0.03 -0.62 0.00 0.00 178.44 176.55 1a03 h MET 57 N -0.77 -0.49 -0.01 1.25 4.05 -0.46 0.17 114.93 118.67 1a03 h MET 57 Ca -0.02 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1a03 h MET 57 Cb 0.73 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 1a03 h MET 57 CO -0.19 -0.33 -0.43 0.22 0.23 0.00 0.00 176.91 176.42 1a03 h ASP 58 N -0.51 -1.32 -0.29 1.39 3.58 -0.78 0.15 116.42 118.63 1a03 h ASP 58 Ca 0.07 0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 1a03 h ASP 58 Cb 0.63 0.50 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 1a03 h ASP 58 CO -0.36 -0.41 -0.17 -0.78 -2.88 0.00 0.00 179.24 174.63 1a03 h ASP 59 N -0.53 0.66 -0.14 2.28 3.58 -0.77 0.11 116.42 121.61 1a03 h ASP 59 Ca 0.01 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1a03 h ASP 59 Cb 0.57 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1a03 h ASP 59 CO -0.29 0.94 0.04 0.25 -2.88 0.00 0.00 179.24 177.31 1a03 h LEU 60 N 0.39 0.21 0.33 2.28 5.85 -0.63 -3.34 115.31 120.41 1a03 h LEU 60 Ca 0.06 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1a03 h LEU 60 Cb 0.71 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1a03 h LEU 60 CO 0.05 0.37 -0.16 -0.78 -0.34 0.00 0.00 178.44 177.58 1a03 h ASP 61 N 0.05 -0.38 0.00 1.25 1.82 -0.67 -3.46 116.42 115.02 1a03 h ASP 61 Ca 0.05 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1a03 h ASP 61 Cb 0.23 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1a03 h ASP 61 CO -0.00 0.03 0.00 -1.14 -1.61 0.00 0.00 179.24 176.52 1a03 n ARG 62 N -4.87 0.00 0.00 0.28 3.00 0.37 -0.52 116.66 114.92 1a03 n ARG 62 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1a03 n ARG 62 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.64 1a03 n ARG 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1a03 n ASN 63 N 0.00 0.00 -1.92 6.15 4.05 -1.26 -4.94 115.26 117.34 1a03 n ASN 63 Ca 0.00 -1.00 -0.07 0.00 0.45 0.00 0.00 54.58 53.96 1a03 n ASN 63 Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 1a03 n ASN 63 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1a03 n LYS 64 N 0.00 1.39 -0.45 1.20 4.76 0.32 -4.62 118.16 120.76 1a03 n LYS 64 Ca 0.00 -0.56 0.00 0.00 -2.87 0.00 0.00 58.31 54.88 1a03 n LYS 64 Cb 0.43 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1a03 n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1a03 n ASP 65 N 2.26 4.81 0.00 4.39 8.00 -1.26 -3.58 116.55 131.16 1a03 n ASP 65 Ca 0.24 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1a03 n ASP 65 Cb 0.65 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1a03 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a03 n GLN 66 N 1.55 0.00 -3.91 -1.24 3.00 -1.26 -4.75 117.38 110.77 1a03 n GLN 66 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1a03 n GLN 66 Cb 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.56 1a03 n GLN 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1a03 s GLU 67 N -0.74 0.14 -0.09 -1.09 2.02 -1.24 -0.65 118.70 117.05 1a03 s GLU 67 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1a03 s GLU 67 Cb 0.00 0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.25 1a03 s GLU 67 CO 0.00 -0.02 -0.08 0.08 0.02 0.00 0.00 175.26 175.25 1a03 s VAL 68 N -0.58 3.54 0.06 2.63 1.01 0.42 -4.81 120.40 122.66 1a03 s VAL 68 Ca -0.06 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1a03 s VAL 68 Cb -0.04 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1a03 s VAL 68 CO -0.00 0.57 0.45 0.21 0.00 0.00 0.00 175.10 176.33 1a03 s ASN 69 N -0.42 6.78 0.32 3.32 3.84 -1.26 -0.52 114.94 127.00 1a03 s ASN 69 Ca 0.06 0.96 0.10 0.00 0.21 0.00 0.00 52.86 54.19 1a03 s ASN 69 Cb -0.12 -2.25 0.90 0.00 -0.55 0.00 0.00 41.25 39.23 1a03 s ASN 69 CO 0.02 0.22 1.73 0.15 -2.79 0.00 0.00 177.10 176.44 1a03 h PHE 70 N 4.12 0.99 -0.81 0.43 3.57 -1.93 0.30 116.94 123.63 1a03 h PHE 70 Ca -0.50 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.20 1a03 h PHE 70 Cb 1.20 -0.29 -0.11 0.00 2.79 0.00 0.00 35.95 39.55 1a03 h PHE 70 CO 0.68 0.06 0.32 0.37 -2.23 0.00 0.00 178.31 177.52 1a03 h GLN 71 N 0.57 0.41 -0.38 1.11 4.15 -1.93 0.48 115.11 119.52 1a03 h GLN 71 Ca 0.64 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.88 1a03 h GLN 71 Cb 1.24 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1a03 h GLN 71 CO -0.47 0.27 -0.39 0.93 -1.93 0.00 0.00 178.83 177.25 1a03 h GLU 72 N 0.43 0.94 -0.34 1.69 5.08 -0.81 0.23 114.58 121.79 1a03 h GLU 72 Ca 0.46 -0.50 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1a03 h GLU 72 Cb 0.77 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1a03 h GLU 72 CO -0.45 1.15 0.03 -0.92 -1.00 0.00 0.00 179.01 177.81 1a03 h TYR 73 N 0.76 0.03 0.60 4.33 3.20 -0.34 0.28 116.97 125.84 1a03 h TYR 73 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1a03 h TYR 73 Cb 0.99 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 1a03 h TYR 73 CO 0.06 -0.03 -0.33 0.82 -1.64 0.00 0.00 178.16 177.04 1a03 h ILE 74 N 0.13 0.32 -0.91 1.81 1.08 -0.82 -1.46 117.51 117.65 1a03 h ILE 74 Ca 0.16 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.70 1a03 h ILE 74 Cb 0.21 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 34.22 1a03 h ILE 74 CO -0.25 0.00 0.59 0.74 -0.69 0.00 0.00 178.15 178.54 1a03 h THR 75 N -0.87 1.07 -0.53 -0.27 2.02 -0.70 0.06 112.91 113.69 1a03 h THR 75 Ca -0.08 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 66.79 1a03 h THR 75 Cb 0.69 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1a03 h THR 75 CO 0.10 0.19 0.27 0.15 0.37 0.00 0.00 175.52 176.60 1a03 h PHE 76 N 1.04 0.50 -0.14 3.16 3.57 -0.31 0.25 116.94 125.02 1a03 h PHE 76 Ca 0.39 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.96 1a03 h PHE 76 Cb 0.20 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1a03 h PHE 76 CO -0.00 0.25 -0.15 1.25 -2.23 0.00 0.00 178.31 177.43 1a03 h LEU 77 N 0.53 -0.47 -0.43 0.59 6.46 0.08 0.31 115.31 122.39 1a03 h LEU 77 Ca 0.23 0.09 0.09 0.00 -0.12 0.00 0.00 57.88 58.17 1a03 h LEU 77 Cb 0.13 0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.19 1a03 h LEU 77 CO -0.16 -0.19 -0.28 1.23 -0.62 0.00 0.00 178.44 178.42 1a03 h GLY 78 N -0.18 -0.09 0.72 3.75 0.00 -0.53 -1.11 103.07 105.64 1a03 h GLY 78 Ca 0.10 0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.79 1a03 h GLY 78 CO -0.25 -0.21 -0.20 0.00 0.00 0.00 0.00 176.54 175.88 1a03 h ALA 79 N 0.95 -0.38 -0.17 3.60 0.00 0.24 0.13 119.26 123.64 1a03 h ALA 79 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1a03 h ALA 79 Cb 0.51 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1a03 h ALA 79 CO -0.54 -0.74 -0.11 -0.07 0.00 0.00 0.00 179.25 177.79 1a03 h LEU 80 N -0.41 -0.35 -0.33 0.00 4.07 -0.67 0.14 115.31 117.75 1a03 h LEU 80 Ca 0.01 0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.08 1a03 h LEU 80 Cb 0.40 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 1a03 h LEU 80 CO -0.07 -0.14 0.12 0.00 -1.08 0.00 0.00 178.44 177.27 1a03 h ALA 81 N 1.03 0.39 -0.80 1.53 0.00 -0.95 0.87 119.26 121.31 1a03 h ALA 81 Ca 0.10 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1a03 h ALA 81 Cb 0.25 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1a03 h ALA 81 CO -0.23 -0.27 0.50 1.98 0.00 0.00 0.00 179.25 181.22 1a03 h MET 82 N 0.27 0.90 -0.29 0.00 1.85 -0.16 0.83 114.93 118.32 1a03 h MET 82 Ca 0.15 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 1a03 h MET 82 Cb 0.11 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 31.93 1a03 h MET 82 CO -0.15 0.59 -0.04 0.82 -0.40 0.00 0.00 176.91 177.74 1a03 h ILE 83 N 0.92 1.27 -0.65 1.77 1.08 -0.25 -2.80 117.51 118.86 1a03 h ILE 83 Ca 0.34 -1.04 0.08 0.00 -0.39 0.00 0.00 64.86 63.86 1a03 h ILE 83 Cb 0.13 1.36 -0.06 0.00 -3.07 0.00 0.00 36.82 35.17 1a03 h ILE 83 CO -0.16 0.33 0.32 1.88 -0.69 0.00 0.00 178.15 179.83 1a03 h TYR 84 N 0.32 0.57 0.00 1.37 0.05 -0.36 -3.44 116.97 115.48 1a03 h TYR 84 Ca 0.08 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1a03 h TYR 84 Cb 0.50 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1a03 h TYR 84 CO 0.04 0.22 0.00 -1.71 -1.05 0.00 0.00 178.16 175.67 1a03 n ASN 85 N -4.88 0.00 0.04 3.88 2.85 0.24 -3.88 115.26 113.52 1a03 n ASN 85 Ca 0.09 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.45 1a03 n ASN 85 Cb 0.23 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.20 1a03 n ASN 85 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1a03 h GLU 86 N 0.00 -0.11 -0.10 1.20 4.81 -1.87 0.82 114.58 119.34 1a03 h GLU 86 Ca 0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1a03 h GLU 86 Cb 0.00 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1a03 h GLU 86 CO 0.00 -0.07 -0.16 0.00 -0.73 0.00 0.00 179.01 178.05 1a03 h ALA 87 N 0.89 -0.11 0.07 2.92 0.00 -1.91 0.04 119.26 121.18 1a03 h ALA 87 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1a03 h ALA 87 Cb 0.15 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1a03 h ALA 87 CO -0.08 -0.62 -0.52 1.25 0.00 0.00 0.00 179.25 179.28 1a03 h LEU 88 N -0.21 -1.58 -0.35 0.00 5.85 -1.66 -2.82 115.31 114.54 1a03 h LEU 88 Ca 0.08 0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1a03 h LEU 88 Cb 0.33 0.59 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 1a03 h LEU 88 CO -0.22 -0.53 -0.09 0.11 -0.34 0.00 0.00 178.44 177.37 1a03 h LYS 89 N -0.71 0.00 0.00 1.25 1.57 -0.63 -3.50 116.57 114.55 1a03 h LYS 89 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a03 h LYS 89 Cb 0.73 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1a03 h LYS 89 CO -0.31 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.98