#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oge s LYS 2 N 0.00 4.25 -0.06 0.03 2.20 -1.26 -4.95 119.74 119.95 1oge s LYS 2 Ca 0.00 2.15 -0.26 0.00 -0.36 0.00 0.00 55.97 57.51 1oge s LYS 2 Cb 0.00 -3.52 -0.23 0.00 -1.51 0.00 0.00 37.83 32.57 1oge s LYS 2 CO 0.00 -0.63 1.04 0.87 -0.36 0.00 0.00 175.35 176.28 1oge h LYS 3 N 7.85 0.10 -5.86 4.03 1.57 -2.05 -3.48 116.57 118.73 1oge h LYS 3 Ca -0.41 -0.10 -0.57 0.00 -1.87 0.00 0.00 60.65 57.70 1oge h LYS 3 Cb 1.19 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 1oge h LYS 3 CO 0.91 0.82 -0.50 -1.01 -0.57 0.00 0.00 179.45 179.10 1oge s HIS 4 N -3.25 2.57 0.00 -1.35 3.76 -1.26 -5.08 115.29 110.68 1oge s HIS 4 Ca -0.17 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1oge s HIS 4 Cb 0.00 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1oge s HIS 4 CO 0.71 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 175.21 1oge n GLY 5 N -1.22 -2.66 3.77 -2.22 0.00 -1.26 -4.94 105.19 96.66 1oge n GLY 5 Ca -0.02 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1oge n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1oge s ILE 6 N -0.58 2.48 0.12 -0.61 2.07 -1.26 -4.96 121.20 118.46 1oge s ILE 6 Ca 0.00 0.44 -0.11 0.00 -1.41 0.00 0.00 60.65 59.58 1oge s ILE 6 Cb 0.00 -3.27 -0.13 0.00 0.13 0.00 0.00 42.46 39.20 1oge s ILE 6 CO 0.00 0.07 1.36 0.25 -1.91 0.00 0.00 174.94 174.71 1oge h LEU 7 N 2.74 0.89 -9.35 8.50 5.85 -1.99 -3.45 115.31 118.50 1oge h LEU 7 Ca -0.50 -0.55 -0.54 0.00 0.84 0.00 0.00 57.88 57.13 1oge h LEU 7 Cb 1.25 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 42.02 1oge h LEU 7 CO 0.63 1.34 1.05 0.21 -0.34 0.00 0.00 178.44 181.33 1oge s ASN 8 N -7.05 6.63 0.19 1.25 3.84 -1.26 -4.91 114.94 113.64 1oge s ASN 8 Ca -0.10 2.37 -0.10 0.00 0.21 0.00 0.00 52.86 55.25 1oge s ASN 8 Cb 0.09 -2.55 0.11 0.00 -0.55 0.00 0.00 41.25 38.36 1oge s ASN 8 CO 0.89 -0.91 1.74 0.77 -2.79 0.00 0.00 177.10 176.80 1oge h SER 9 N 9.07 0.98 -0.35 -4.21 4.64 -2.00 -1.07 113.55 120.62 1oge h SER 9 Ca -0.42 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 1oge h SER 9 Cb 1.19 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1oge h SER 9 CO 0.94 0.91 0.18 0.45 -0.87 0.00 0.00 176.83 178.44 1oge h HIS 10 N 1.00 0.50 -0.49 4.77 3.86 -1.99 -2.58 115.15 120.22 1oge h HIS 10 Ca 0.23 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1oge h HIS 10 Cb 0.25 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1oge h HIS 10 CO 0.02 0.41 0.00 -0.07 0.86 0.00 0.00 177.93 179.15 1oge h LEU 11 N 0.44 0.78 -0.82 2.43 3.38 -1.92 -2.81 115.31 116.78 1oge h LEU 11 Ca 0.12 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1oge h LEU 11 Cb 0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1oge h LEU 11 CO -0.02 0.85 0.53 0.00 0.09 0.00 0.00 178.44 179.89 1oge h ALA 12 N 1.24 1.08 -0.54 1.53 0.00 -0.95 0.28 119.26 121.90 1oge h ALA 12 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1oge h ALA 12 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1oge h ALA 12 CO 0.02 0.36 0.12 0.87 0.00 0.00 0.00 179.25 180.62 1oge h LYS 13 N 1.03 0.84 -0.18 0.00 1.57 -1.22 -0.89 116.57 117.73 1oge h LYS 13 Ca 0.33 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1oge h LYS 13 Cb 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1oge h LYS 13 CO -0.11 0.77 -0.26 0.82 -0.57 0.00 0.00 179.45 180.10 1oge h ILE 14 N 0.81 1.34 -0.55 1.86 1.08 -1.17 -3.19 117.51 117.69 1oge h ILE 14 Ca 0.18 -1.47 -0.04 0.00 -0.39 0.00 0.00 64.86 63.14 1oge h ILE 14 Cb 0.32 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 1oge h ILE 14 CO 0.00 0.44 0.18 -0.07 -0.69 0.00 0.00 178.15 178.02 1oge h LEU 15 N 0.15 0.75 -1.71 1.44 3.38 -0.73 -2.74 115.31 115.86 1oge h LEU 15 Ca 0.02 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1oge h LEU 15 Cb 0.83 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1oge h LEU 15 CO 0.06 0.71 0.35 0.00 0.09 0.00 0.00 178.44 179.65 1oge h ALA 16 N 1.40 2.04 -0.01 1.53 0.00 -1.15 -2.23 119.26 120.84 1oge h ALA 16 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1oge h ALA 16 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1oge h ALA 16 CO -0.01 -0.16 -0.31 -0.25 0.00 0.00 0.00 179.25 178.52 1oge n ASP 17 N -4.47 1.52 -4.72 0.00 8.00 -1.04 -4.96 116.55 110.89 1oge n ASP 17 Ca 0.08 -1.22 -0.43 0.00 0.71 0.00 0.00 54.79 53.94 1oge n ASP 17 Cb 0.35 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1oge n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1oge n LEU 18 N -0.27 3.88 -4.63 0.64 4.77 -0.84 -5.01 117.00 115.54 1oge n LEU 18 Ca 0.12 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.95 1oge n LEU 18 Cb 0.40 -1.53 -0.10 0.00 -2.33 0.00 0.00 43.42 39.86 1oge n LEU 18 CO 0.26 -0.08 -0.28 -0.83 -1.33 0.00 0.00 177.39 175.13 1oge s GLY 19 N 0.45 2.59 0.13 -0.72 0.00 -1.26 -5.04 107.32 103.47 1oge s GLY 19 Ca 0.66 -1.81 -0.32 0.00 0.00 0.00 0.00 44.72 43.26 1oge s GLY 19 CO 0.48 -2.08 1.81 1.57 0.00 0.00 0.00 173.10 174.88 1oge n HIS 20 N -1.00 2.63 0.00 1.90 -0.00 -1.26 -2.03 115.22 115.46 1oge n HIS 20 Ca -0.08 -0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1oge n HIS 20 Cb 0.67 -2.72 0.00 0.00 -0.12 0.00 0.00 29.99 27.82 1oge n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1oge n THR 21 N 4.56 0.00 -1.45 3.57 -2.24 0.55 -5.00 114.28 114.26 1oge n THR 21 Ca 0.18 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.60 1oge n THR 21 Cb 0.36 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.69 1oge n THR 21 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1oge n ASP 22 N 0.00 1.35 -4.28 3.42 8.00 -0.86 -4.49 116.55 119.70 1oge n ASP 22 Ca 0.00 0.72 -0.25 0.00 0.71 0.00 0.00 54.79 55.97 1oge n ASP 22 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 41.12 39.47 1oge n ASP 22 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1oge s LYS 23 N -3.56 1.22 0.09 -1.24 1.02 -1.26 -0.62 119.74 115.39 1oge s LYS 23 Ca 0.78 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 55.71 1oge s LYS 23 Cb -0.35 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 1oge s LYS 23 CO 0.46 0.35 -0.10 0.96 -0.92 0.00 0.00 175.35 176.09 1oge s ILE 24 N -1.04 0.92 0.02 2.17 -4.36 -0.94 -0.23 121.20 117.74 1oge s ILE 24 Ca 0.07 -1.53 0.08 0.00 -0.26 0.00 0.00 60.65 59.02 1oge s ILE 24 Cb -0.10 -1.23 -0.03 0.00 1.25 0.00 0.00 42.46 42.35 1oge s ILE 24 CO 0.03 -0.49 -0.25 -0.69 0.24 0.00 0.00 174.94 173.79 1oge s VAL 25 N -2.15 2.22 -0.20 8.37 1.01 -0.43 -1.06 120.40 128.16 1oge s VAL 25 Ca 0.03 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 1oge s VAL 25 Cb -0.05 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1oge s VAL 25 CO 0.00 0.46 -0.10 -0.63 0.00 0.00 0.00 175.10 174.82 1oge s ILE 26 N -0.74 2.85 0.27 2.22 1.01 -0.47 0.61 121.20 126.95 1oge s ILE 26 Ca 0.11 -0.67 0.12 0.00 0.00 0.00 0.00 60.65 60.21 1oge s ILE 26 Cb -0.10 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1oge s ILE 26 CO 0.01 0.47 -0.20 0.00 0.00 0.00 0.00 174.94 175.22 1oge s ALA 27 N 1.40 2.75 0.91 9.38 0.00 0.13 -1.67 121.76 134.66 1oge s ALA 27 Ca 0.05 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.05 1oge s ALA 27 Cb -0.14 -0.29 0.18 0.00 0.00 0.00 0.00 23.12 22.87 1oge s ALA 27 CO -0.07 0.30 1.25 0.16 0.00 0.00 0.00 175.76 177.40 1oge s ASP 28 N -3.42 3.39 0.10 0.00 3.84 -1.01 -1.20 116.67 118.37 1oge s ASP 28 Ca 0.29 0.13 0.12 0.00 -0.00 0.00 0.00 52.55 53.10 1oge s ASP 28 Cb -0.05 -0.25 0.57 0.00 -1.38 0.00 0.00 42.92 41.81 1oge s ASP 28 CO 0.15 -2.54 1.39 0.00 -0.00 0.00 0.00 175.17 174.16 1oge n ALA 29 N -3.56 1.34 0.29 2.11 0.00 -0.09 -3.35 120.51 117.25 1oge n ALA 29 Ca 0.15 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.70 1oge n ALA 29 Cb 0.60 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 1oge n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oge n GLY 30 N -0.72 -0.58 3.69 0.00 0.00 -1.26 -5.00 105.19 101.32 1oge n GLY 30 Ca 0.01 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1oge n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1oge n LEU 31 N -1.75 3.80 -4.79 0.99 7.94 -1.21 -4.96 117.00 117.01 1oge n LEU 31 Ca -0.00 1.02 -0.35 0.00 -1.11 0.00 0.00 56.01 55.57 1oge n LEU 31 Cb 0.33 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.74 1oge n LEU 31 CO 0.32 0.07 0.73 -2.16 -1.11 0.00 0.00 177.39 175.23 1oge s PRO 32 N 2.10 3.87 -0.22 1.96 0.04 -1.26 -4.97 135.00 136.52 1oge s PRO 32 Ca 0.81 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.22 1oge s PRO 32 Cb -0.54 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1oge s PRO 32 CO 0.37 -0.39 0.03 0.08 0.04 0.00 0.00 177.00 177.13 1oge s VAL 33 N -1.86 4.12 0.82 -0.36 1.01 -1.26 -5.09 120.40 117.77 1oge s VAL 33 Ca 0.65 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1oge s VAL 33 Cb -0.19 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.38 1oge s VAL 33 CO 0.23 0.40 1.07 -2.65 0.00 0.00 0.00 175.10 174.15 1oge n PRO 34 N 4.46 0.12 -2.21 2.72 -0.02 -1.26 -4.93 135.00 133.87 1oge n PRO 34 Ca -0.17 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 1oge n PRO 34 Cb 0.52 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1oge n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1oge s ASP 35 N -2.08 6.54 0.00 2.55 1.01 -1.26 -2.82 116.67 120.61 1oge s ASP 35 Ca 0.71 2.47 0.00 0.00 0.71 0.00 0.00 52.55 56.44 1oge s ASP 35 Cb -0.29 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.02 1oge s ASP 35 CO 0.53 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.85 1oge n GLY 36 N 0.71 1.42 3.64 0.21 0.00 -1.26 -5.03 105.19 104.88 1oge n GLY 36 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1oge n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oge s VAL 37 N -2.98 4.95 0.24 1.61 1.01 -1.13 -5.06 120.40 119.05 1oge s VAL 37 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1oge s VAL 37 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1oge s VAL 37 CO 0.00 0.43 1.54 -0.22 0.00 0.00 0.00 175.10 176.86 1oge s LEU 38 N 0.55 4.37 -0.18 3.92 2.96 -1.26 -4.86 118.68 124.18 1oge s LEU 38 Ca 0.05 2.77 -0.01 0.00 -0.22 0.00 0.00 54.13 56.72 1oge s LEU 38 Cb -0.12 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1oge s LEU 38 CO 0.01 -0.82 -0.14 -0.75 -1.32 0.00 0.00 176.35 173.33 1oge s LYS 39 N 0.05 3.19 -0.30 1.98 2.20 -1.26 -0.52 119.74 125.08 1oge s LYS 39 Ca 0.64 -0.74 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1oge s LYS 39 Cb -0.45 -2.71 0.05 0.00 -1.51 0.00 0.00 37.83 33.21 1oge s LYS 39 CO 0.41 -0.10 0.01 0.42 -0.36 0.00 0.00 175.35 175.72 1oge s ILE 40 N 1.12 3.07 -0.35 5.43 1.01 -0.17 -4.97 121.20 126.35 1oge s ILE 40 Ca 0.01 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 1oge s ILE 40 Cb -0.14 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1oge s ILE 40 CO -0.05 -0.09 0.37 -0.62 0.00 0.00 0.00 174.94 174.56 1oge s ASP 41 N 1.28 6.18 0.00 3.58 3.68 -1.26 -1.32 116.67 128.80 1oge s ASP 41 Ca -0.05 -0.28 0.20 0.00 2.13 0.00 0.00 52.55 54.55 1oge s ASP 41 Cb -0.19 -2.20 -0.10 0.00 -1.45 0.00 0.00 42.92 38.97 1oge s ASP 41 CO -0.01 -0.37 0.93 0.18 0.13 0.00 0.00 175.17 176.03 1oge n LEU 42 N 5.41 1.44 -4.63 -1.34 4.77 -0.43 -4.95 117.00 117.26 1oge n LEU 42 Ca -0.09 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 54.85 1oge n LEU 42 Cb 0.49 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1oge n LEU 42 CO 0.41 0.30 0.65 -1.54 -1.33 0.00 0.00 177.39 175.88 1oge n SER 43 N -0.71 1.44 0.00 -1.43 3.41 -1.17 -4.33 113.62 110.83 1oge n SER 43 Ca 0.06 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1oge n SER 43 Cb 0.37 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1oge n SER 43 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1oge n LEU 44 N 0.08 1.04 -3.68 1.04 7.94 0.65 -4.91 117.00 119.17 1oge n LEU 44 Ca 0.10 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.91 1oge n LEU 44 Cb 0.42 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.34 1oge n LEU 44 CO 0.55 0.12 0.44 -1.59 -1.11 0.00 0.00 177.39 175.80 1oge s LYS 45 N -1.92 1.57 -0.12 1.96 -2.85 -1.09 -5.05 119.74 112.24 1oge s LYS 45 Ca 0.00 -0.77 -0.37 0.00 -1.00 0.00 0.00 55.97 53.83 1oge s LYS 45 Cb 0.00 0.60 -0.14 0.00 -2.06 0.00 0.00 37.83 36.23 1oge s LYS 45 CO 0.00 -0.71 1.74 -2.30 0.10 0.00 0.00 175.35 174.18 1oge n PRO 46 N -0.43 1.66 -0.59 1.78 -0.02 -1.26 -0.88 135.00 135.27 1oge n PRO 46 Ca -0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1oge n PRO 46 Cb 0.62 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1oge n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oge n GLY 47 N 4.03 0.75 2.74 -1.23 0.00 0.19 -5.00 105.19 106.67 1oge n GLY 47 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1oge n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oge s LEU 48 N 0.00 0.04 0.79 0.99 2.96 -0.06 -3.67 118.68 119.73 1oge s LEU 48 Ca 0.00 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 1oge s LEU 48 Cb 0.00 0.13 0.07 0.00 0.50 0.00 0.00 46.19 46.89 1oge s LEU 48 CO 0.00 -0.29 1.10 -2.84 -1.32 0.00 0.00 176.35 173.00 1oge s PRO 49 N 2.25 2.14 0.20 0.98 0.02 -1.26 -0.25 135.00 139.08 1oge s PRO 49 Ca 0.04 0.55 -0.08 0.00 0.02 0.00 0.00 61.00 61.54 1oge s PRO 49 Cb -0.14 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 1oge s PRO 49 CO -0.08 -1.56 0.48 0.00 -0.33 0.00 0.00 177.00 175.51 1oge s ALA 50 N -3.22 3.65 0.23 -1.55 0.00 -1.24 -0.89 121.76 118.74 1oge s ALA 50 Ca 0.61 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 1oge s ALA 50 Cb -0.14 -2.31 0.39 0.00 0.00 0.00 0.00 23.12 21.06 1oge s ALA 50 CO 0.53 0.56 1.70 0.35 0.00 0.00 0.00 175.76 178.91 1oge h PHE 51 N 2.61 0.28 -0.33 0.00 3.57 -1.93 -1.39 116.94 119.76 1oge h PHE 51 Ca -0.47 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1oge h PHE 51 Cb 1.17 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1oge h PHE 51 CO 0.61 -0.04 0.20 1.96 -2.23 0.00 0.00 178.31 178.81 1oge h GLN 52 N 0.30 0.45 -0.48 1.11 4.20 -1.98 -0.83 115.11 117.87 1oge h GLN 52 Ca 0.37 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 1oge h GLN 52 Cb 0.59 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1oge h GLN 52 CO -0.45 0.34 0.05 -0.44 -0.67 0.00 0.00 178.83 177.67 1oge h ASP 53 N 0.42 0.72 -0.05 1.46 3.32 -1.78 -1.40 116.42 119.11 1oge h ASP 53 Ca 0.12 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1oge h ASP 53 Cb 0.01 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1oge h ASP 53 CO -0.02 0.75 -0.07 0.74 -1.72 0.00 0.00 179.24 178.92 1oge h THR 54 N 0.72 1.40 -0.59 0.35 2.02 -1.07 -2.58 112.91 113.16 1oge h THR 54 Ca 0.15 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.04 1oge h THR 54 Cb 0.37 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1oge h THR 54 CO 0.01 0.36 0.39 0.00 0.37 0.00 0.00 175.52 176.64 1oge h ALA 55 N 0.52 1.58 -0.41 6.16 0.00 -1.07 -1.86 119.26 124.17 1oge h ALA 55 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1oge h ALA 55 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1oge h ALA 55 CO 0.02 0.39 0.02 0.00 0.00 0.00 0.00 179.25 179.68 1oge h ALA 56 N 1.63 0.55 -0.26 0.00 0.00 -1.21 -0.71 119.26 119.27 1oge h ALA 56 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1oge h ALA 56 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1oge h ALA 56 CO -0.05 0.31 0.07 0.28 0.00 0.00 0.00 179.25 179.86 1oge h VAL 57 N 0.55 1.21 -0.86 0.00 2.07 -1.04 -2.92 116.25 115.27 1oge h VAL 57 Ca 0.12 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1oge h VAL 57 Cb 0.45 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1oge h VAL 57 CO 0.02 0.22 0.50 -0.07 0.02 0.00 0.00 177.57 178.26 1oge h LEU 58 N 0.25 1.04 -1.38 2.57 -0.00 -1.26 -2.49 115.31 114.04 1oge h LEU 58 Ca 0.08 -0.07 0.05 0.00 -0.00 0.00 0.00 57.88 57.94 1oge h LEU 58 Cb 0.28 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.63 1oge h LEU 58 CO 0.00 0.81 0.46 0.00 -0.00 0.00 0.00 178.44 179.71 1oge h ALA 59 N 1.36 1.67 -0.00 1.53 0.00 -0.94 -0.27 119.26 122.61 1oge h ALA 59 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1oge h ALA 59 Cb -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1oge h ALA 59 CO -0.05 0.24 -0.28 -0.85 0.00 0.00 0.00 179.25 178.30 1oge n GLU 60 N -4.47 0.45 -0.00 0.00 0.28 -0.96 -3.99 120.64 111.96 1oge n GLU 60 Ca 0.09 -0.23 0.04 0.00 -0.16 0.00 0.00 57.16 56.90 1oge n GLU 60 Cb 0.18 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.51 1oge n GLU 60 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1oge n GLU 61 N -1.07 4.09 -4.44 3.44 -0.58 -0.80 -5.01 120.64 116.27 1oge n GLU 61 Ca 0.10 -0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.63 1oge n GLU 61 Cb 0.33 -0.90 -0.14 0.00 -0.57 0.00 0.00 31.44 30.16 1oge n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1oge s MET 62 N -1.81 1.00 -0.52 3.49 1.75 -0.18 -4.94 119.30 118.09 1oge s MET 62 Ca 0.03 -0.69 -0.24 0.00 -1.25 0.00 0.00 55.69 53.54 1oge s MET 62 Cb 0.06 -1.00 0.04 0.00 2.84 0.00 0.00 34.83 36.77 1oge s MET 62 CO 0.33 0.26 0.89 0.00 -0.65 0.00 0.00 175.02 175.85 1oge s ALA 63 N -0.70 3.21 -0.21 4.11 0.00 -1.26 -4.70 121.76 122.20 1oge s ALA 63 Ca 0.03 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 1oge s ALA 63 Cb -0.07 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1oge s ALA 63 CO 0.01 -2.23 0.12 0.08 0.00 0.00 0.00 175.76 173.74 1oge s VAL 64 N 3.71 5.11 -0.87 0.00 1.01 -1.26 0.77 120.40 128.87 1oge s VAL 64 Ca 0.30 0.09 0.14 0.00 0.00 0.00 0.00 61.98 62.51 1oge s VAL 64 Cb -0.13 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 1oge s VAL 64 CO 0.20 0.40 0.66 -1.84 0.00 0.00 0.00 175.10 174.52 1oge n GLU 65 N 3.95 2.17 -3.64 2.72 0.28 -0.23 -4.75 120.64 121.15 1oge n GLU 65 Ca -0.16 -0.23 -0.11 0.00 -0.16 0.00 0.00 57.16 56.51 1oge n GLU 65 Cb 0.52 -1.19 -0.07 0.00 1.43 0.00 0.00 31.44 32.13 1oge n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1oge s LYS 66 N -2.17 0.63 -0.03 3.44 2.20 -1.21 -3.72 119.74 118.88 1oge s LYS 66 Ca 0.07 0.75 0.07 0.00 -0.36 0.00 0.00 55.97 56.51 1oge s LYS 66 Cb 0.11 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1oge s LYS 66 CO 0.52 -0.08 -0.25 0.08 -0.36 0.00 0.00 175.35 175.27 1oge s VAL 67 N 0.31 1.96 -0.09 4.02 1.01 -0.12 -0.82 120.40 126.67 1oge s VAL 67 Ca 0.02 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1oge s VAL 67 Cb -0.05 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1oge s VAL 67 CO -0.04 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1oge s ILE 68 N -0.45 1.32 0.31 2.22 1.01 -0.46 -0.90 121.20 124.26 1oge s ILE 68 Ca 0.06 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1oge s ILE 68 Cb -0.11 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1oge s ILE 68 CO 0.00 0.40 0.12 0.00 0.00 0.00 0.00 174.94 175.47 1oge s ALA 69 N 0.82 2.12 -0.02 9.38 0.00 -0.70 -0.57 121.76 132.79 1oge s ALA 69 Ca -0.11 -1.74 -0.18 0.00 0.00 0.00 0.00 51.96 49.93 1oge s ALA 69 Cb -0.15 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1oge s ALA 69 CO 0.02 -0.44 0.50 0.00 0.00 0.00 0.00 175.76 175.84 1oge s ALA 70 N -3.53 3.57 0.25 0.00 0.00 -1.26 -1.45 121.76 119.34 1oge s ALA 70 Ca 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 1oge s ALA 70 Cb 0.06 -2.58 0.48 0.00 0.00 0.00 0.00 23.12 21.07 1oge s ALA 70 CO 0.16 0.27 1.75 0.00 0.00 0.00 0.00 175.76 177.93 1oge h ALA 71 N 5.43 1.14 -0.49 0.00 0.00 0.44 -0.86 119.26 124.92 1oge h ALA 71 Ca -0.47 0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.68 1oge h ALA 71 Cb 1.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1oge h ALA 71 CO 0.67 -0.15 0.73 0.93 0.00 0.00 0.00 179.25 181.44 1oge h GLU 72 N 0.53 0.00 -0.78 0.00 3.07 -1.94 0.19 114.58 115.66 1oge h GLU 72 Ca 0.43 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.25 1oge h GLU 72 Cb 0.62 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1oge h GLU 72 CO -0.37 0.00 0.33 0.97 -1.40 0.00 0.00 179.01 178.53 1oge h ILE 73 N 0.00 1.26 -0.95 3.13 2.10 -1.42 0.34 117.51 121.96 1oge h ILE 73 Ca 0.23 -0.78 0.14 0.00 1.08 0.00 0.00 64.86 65.54 1oge h ILE 73 Cb 1.68 0.32 -0.08 0.00 -1.09 0.00 0.00 36.82 37.65 1oge h ILE 73 CO -0.00 0.32 0.60 0.11 -1.08 0.00 0.00 178.15 178.10 1oge h LYS 74 N 1.11 0.79 0.00 2.19 1.57 -1.13 0.32 116.57 121.42 1oge h LYS 74 Ca 0.26 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1oge h LYS 74 Cb 0.19 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1oge h LYS 74 CO -0.02 0.52 -1.17 0.00 -0.57 0.00 0.00 179.45 178.21 1oge n ALA 75 N -2.39 0.74 0.22 3.86 0.00 -1.06 -4.10 120.51 117.78 1oge n ALA 75 Ca 0.19 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 53.17 1oge n ALA 75 Cb 0.45 -0.27 0.43 0.00 0.00 0.00 0.00 19.45 20.05 1oge n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1oge h SER 76 N -1.00 0.00 -2.00 0.00 0.02 -0.95 -3.37 113.55 106.24 1oge h SER 76 Ca -0.27 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.14 1oge h SER 76 Cb 1.08 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.25 1oge h SER 76 CO -0.16 0.23 -1.02 -3.20 -1.14 0.00 0.00 176.83 171.54 1oge n ASN 77 N -3.35 -0.30 -0.31 3.07 2.85 0.11 -4.80 115.26 112.52 1oge n ASN 77 Ca 0.00 -2.62 -0.04 0.00 -0.11 0.00 0.00 54.58 51.82 1oge n ASN 77 Cb 0.45 -0.43 0.10 0.00 1.24 0.00 0.00 39.78 41.14 1oge n ASN 77 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1oge h GLN 78 N 4.58 1.22 -0.23 1.20 5.75 -1.71 -1.73 115.11 124.18 1oge h GLN 78 Ca 0.13 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1oge h GLN 78 Cb 0.90 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1oge h GLN 78 CO 0.41 0.91 0.07 1.49 -2.65 0.00 0.00 178.83 179.07 1oge h GLU 79 N 1.21 0.36 -0.02 1.69 4.81 -1.93 -1.85 114.58 118.87 1oge h GLU 79 Ca 0.30 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 1oge h GLU 79 Cb 0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1oge h GLU 79 CO -0.04 0.45 -0.73 -0.91 -0.73 0.00 0.00 179.01 177.04 1oge h ASN 80 N 0.21 0.15 -0.18 1.04 2.35 -1.92 -2.40 115.58 114.83 1oge h ASN 80 Ca 0.08 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1oge h ASN 80 Cb 0.23 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1oge h ASN 80 CO -0.00 0.83 -0.16 0.00 -1.65 0.00 0.00 177.43 176.45 1oge h ALA 81 N 1.17 1.12 -0.19 -0.83 0.00 -1.24 -2.24 119.26 117.04 1oge h ALA 81 Ca -0.02 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1oge h ALA 81 Cb 1.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1oge h ALA 81 CO 0.11 0.55 -0.50 -0.22 0.00 0.00 0.00 179.25 179.18 1oge h LYS 82 N 0.53 0.68 -0.53 0.00 3.64 -1.28 -2.96 116.57 116.66 1oge h LYS 82 Ca 0.09 -0.48 0.11 0.00 -1.27 0.00 0.00 60.65 59.10 1oge h LYS 82 Cb 0.58 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.38 1oge h LYS 82 CO 0.04 1.10 -0.00 0.35 -2.27 0.00 0.00 179.45 178.66 1oge h PHE 83 N 0.38 -0.04 -0.10 1.91 3.57 -1.11 -0.56 116.94 120.99 1oge h PHE 83 Ca -0.01 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1oge h PHE 83 Cb 1.12 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1oge h PHE 83 CO 0.09 -0.13 0.01 -0.07 -2.23 0.00 0.00 178.31 175.98 1oge h LEU 84 N 0.12 -0.02 -0.37 0.59 3.38 -1.39 0.14 115.31 117.75 1oge h LEU 84 Ca 0.27 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1oge h LEU 84 Cb 0.42 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1oge h LEU 84 CO -0.45 0.01 -0.02 -0.33 0.09 0.00 0.00 178.44 177.74 1oge h GLU 85 N 0.05 0.08 0.27 1.13 4.39 -1.19 0.10 114.58 119.42 1oge h GLU 85 Ca 0.05 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1oge h GLU 85 Cb 0.05 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1oge h GLU 85 CO -0.07 0.05 -0.13 -0.91 -1.16 0.00 0.00 179.01 176.79 1oge h ASN 86 N 0.08 -0.31 -0.55 1.42 -0.26 -0.78 -3.15 115.58 112.03 1oge h ASN 86 Ca 0.18 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1oge h ASN 86 Cb 0.26 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 1oge h ASN 86 CO -0.32 -0.17 0.32 0.25 -1.06 0.00 0.00 177.43 176.45 1oge h LEU 87 N -0.43 0.68 -6.15 1.61 5.85 -0.41 -3.24 115.31 113.22 1oge h LEU 87 Ca -0.04 -0.08 -0.75 0.00 0.84 0.00 0.00 57.88 57.86 1oge h LEU 87 Cb 0.33 -0.17 -0.31 0.00 0.37 0.00 0.00 40.66 40.87 1oge h LEU 87 CO 0.06 0.56 0.53 0.49 -0.34 0.00 0.00 178.44 179.74 1oge n PHE 88 N -4.63 3.01 0.43 1.25 3.01 0.33 -4.83 117.46 116.03 1oge n PHE 88 Ca 0.03 -2.97 -0.19 0.00 1.01 0.00 0.00 57.45 55.33 1oge n PHE 88 Cb 0.07 -1.02 -0.09 0.00 -0.01 0.00 0.00 39.48 38.43 1oge n PHE 88 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1oge h SER 89 N 4.15 -0.90 0.45 4.37 0.02 -1.58 -3.07 113.55 116.99 1oge h SER 89 Ca 0.37 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1oge h SER 89 Cb 0.43 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1oge h SER 89 CO 1.11 -0.63 0.00 -0.62 -1.14 0.00 0.00 176.83 175.55 1oge n GLU 90 N -5.54 0.37 -3.59 3.45 1.02 -1.26 -4.83 120.64 110.26 1oge n GLU 90 Ca -0.15 0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.73 1oge n GLU 90 Cb 0.43 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.30 1oge n GLU 90 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1oge s GLN 91 N -2.55 3.68 -0.12 3.49 1.11 -1.16 -5.05 119.66 119.06 1oge s GLN 91 Ca 0.24 0.03 -0.29 0.00 0.01 0.00 0.00 55.36 55.34 1oge s GLN 91 Cb 0.17 -2.79 -0.02 0.00 -1.01 0.00 0.00 33.01 29.35 1oge s GLN 91 CO 0.37 0.42 1.27 -2.00 0.01 0.00 0.00 175.29 175.37 1oge s GLU 92 N -2.68 4.27 -0.33 2.91 2.12 -1.24 -4.89 118.70 118.85 1oge s GLU 92 Ca 0.43 1.70 -0.07 0.00 0.36 0.00 0.00 54.97 57.39 1oge s GLU 92 Cb -0.12 -3.71 0.03 0.00 0.26 0.00 0.00 34.13 30.59 1oge s GLU 92 CO 0.23 -0.63 0.10 0.42 -0.54 0.00 0.00 175.26 174.84 1oge s ILE 93 N 3.11 3.88 -0.11 -3.70 1.01 -1.26 -0.95 121.20 123.18 1oge s ILE 93 Ca 0.56 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 1oge s ILE 93 Cb -0.23 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1oge s ILE 93 CO 0.18 -0.10 0.08 -0.70 0.00 0.00 0.00 174.94 174.39 1oge s GLU 94 N 1.44 3.33 -0.05 2.79 2.12 -0.07 -5.00 118.70 123.26 1oge s GLU 94 Ca -0.00 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.09 1oge s GLU 94 Cb -0.19 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1oge s GLU 94 CO 0.03 0.69 -0.12 0.71 -0.54 0.00 0.00 175.26 176.02 1oge s TYR 95 N -0.80 2.76 0.20 5.30 1.51 -1.26 -1.72 117.35 123.34 1oge s TYR 95 Ca 0.13 -0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1oge s TYR 95 Cb -0.12 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1oge s TYR 95 CO 0.03 0.22 0.11 -0.51 -1.11 0.00 0.00 175.55 174.29 1oge s LEU 96 N -0.76 1.36 0.45 -1.29 1.43 -0.53 -4.84 118.68 114.51 1oge s LEU 96 Ca 0.12 -1.36 -0.22 0.00 -1.03 0.00 0.00 54.13 51.64 1oge s LEU 96 Cb -0.11 0.29 -0.08 0.00 0.03 0.00 0.00 46.19 46.32 1oge s LEU 96 CO 0.01 -0.80 1.08 -0.94 0.23 0.00 0.00 176.35 175.93 1oge s SER 97 N -3.17 6.39 0.45 2.29 1.04 -1.26 0.11 113.70 119.54 1oge s SER 97 Ca 0.36 2.08 0.24 0.00 0.48 0.00 0.00 55.95 59.12 1oge s SER 97 Cb 0.07 -2.58 1.25 0.00 0.10 0.00 0.00 66.02 64.86 1oge s SER 97 CO 0.11 -0.75 1.80 -0.74 0.98 0.00 0.00 173.24 174.63 1oge h HIS 98 N 1.98 0.42 -0.24 5.02 2.76 -1.92 -0.20 115.15 122.97 1oge h HIS 98 Ca -0.49 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 57.67 1oge h HIS 98 Cb 1.23 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1oge h HIS 98 CO 0.56 0.05 0.05 0.93 -1.30 0.00 0.00 177.93 178.22 1oge h GLU 99 N 0.26 0.38 -0.29 5.26 4.39 -2.00 -1.58 114.58 121.00 1oge h GLU 99 Ca 0.55 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 60.05 1oge h GLU 99 Cb 1.67 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1oge h GLU 99 CO -0.18 0.50 -0.27 0.93 -1.16 0.00 0.00 179.01 178.83 1oge h GLU 100 N 0.20 0.58 -0.15 2.33 5.08 -1.51 -2.98 114.58 118.14 1oge h GLU 100 Ca 0.07 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1oge h GLU 100 Cb 0.30 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1oge h GLU 100 CO 0.00 0.80 -0.12 0.35 -1.00 0.00 0.00 179.01 179.04 1oge h PHE 101 N 0.51 -0.31 -0.39 4.33 3.57 -0.81 -1.83 116.94 122.01 1oge h PHE 101 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1oge h PHE 101 Cb 0.73 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1oge h PHE 101 CO 0.03 -0.19 0.26 0.87 -2.23 0.00 0.00 178.31 177.05 1oge h LYS 102 N -0.14 0.50 -0.58 1.11 1.57 -1.19 -1.68 116.57 116.16 1oge h LYS 102 Ca 0.10 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1oge h LYS 102 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1oge h LYS 102 CO -0.23 0.33 0.09 -0.07 -0.57 0.00 0.00 179.45 179.00 1oge h LEU 103 N 0.51 0.89 -1.10 2.94 3.38 -1.21 -2.81 115.31 117.91 1oge h LEU 103 Ca 0.15 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1oge h LEU 103 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1oge h LEU 103 CO -0.03 0.89 -0.32 -0.07 0.09 0.00 0.00 178.44 179.00 1oge h LEU 104 N 0.88 0.23 -2.47 1.67 4.07 -0.69 -2.94 115.31 116.06 1oge h LEU 104 Ca 0.18 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1oge h LEU 104 Cb 0.39 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1oge h LEU 104 CO 0.01 0.55 0.00 0.71 -1.08 0.00 0.00 178.44 178.63 1oge h THR 105 N 0.21 0.00 0.00 0.22 1.35 -1.20 -1.72 112.91 111.76 1oge h THR 105 Ca 0.03 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.86 1oge h THR 105 Cb 0.67 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1oge h THR 105 CO 0.05 0.00 -0.08 0.11 -0.25 0.00 0.00 175.52 175.35 1oge h LYS 106 N 0.00 0.00 -0.10 4.72 1.57 -1.62 -2.29 116.57 118.84 1oge h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oge h LYS 106 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1oge h LYS 106 CO 0.00 0.08 0.00 -0.25 -0.57 0.00 0.00 179.45 178.71 1oge n ASP 107 N -3.39 2.66 -4.78 0.86 8.00 -0.65 -4.93 116.55 114.33 1oge n ASP 107 Ca -0.01 -1.87 -0.36 0.00 0.71 0.00 0.00 54.79 53.26 1oge n ASP 107 Cb 0.24 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1oge n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oge s ALA 108 N -1.89 2.98 -0.19 2.24 0.00 -0.86 -4.66 121.76 119.37 1oge s ALA 108 Ca 0.32 0.76 0.28 0.00 0.00 0.00 0.00 51.96 53.32 1oge s ALA 108 Cb 0.21 -3.31 0.81 0.00 0.00 0.00 0.00 23.12 20.83 1oge s ALA 108 CO 0.31 -0.41 1.78 0.87 0.00 0.00 0.00 175.76 178.31 1oge h LYS 109 N 2.06 0.00 -1.47 0.00 1.79 -0.94 -3.45 116.57 114.56 1oge h LYS 109 Ca -0.49 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.24 1oge h LYS 109 Cb 1.23 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.70 1oge h LYS 109 CO 0.61 0.00 0.82 0.00 -1.08 0.00 0.00 179.45 179.79 1oge s ALA 110 N -3.42 -2.09 -0.10 3.86 0.00 -1.26 -4.21 121.76 114.54 1oge s ALA 110 Ca 0.04 1.54 0.03 0.00 0.00 0.00 0.00 51.96 53.57 1oge s ALA 110 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1oge s ALA 110 CO 0.61 -0.63 -0.20 0.08 0.00 0.00 0.00 175.76 175.62 1oge s VAL 111 N -2.41 1.81 -0.32 0.00 1.01 0.32 -1.31 120.40 119.50 1oge s VAL 111 Ca 0.10 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1oge s VAL 111 Cb -0.01 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1oge s VAL 111 CO -0.04 0.50 0.17 -0.63 0.00 0.00 0.00 175.10 175.10 1oge s ILE 112 N 0.58 4.73 -0.23 2.22 1.01 0.20 -1.00 121.20 128.72 1oge s ILE 112 Ca -0.14 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1oge s ILE 112 Cb -0.17 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1oge s ILE 112 CO 0.04 0.03 0.50 -0.60 0.00 0.00 0.00 174.94 174.92 1oge s ARG 113 N 1.63 4.13 0.59 2.79 3.52 -0.44 0.19 118.95 131.37 1oge s ARG 113 Ca 0.05 0.34 0.10 0.00 -0.13 0.00 0.00 55.73 56.09 1oge s ARG 113 Cb -0.17 -3.60 0.10 0.00 -1.56 0.00 0.00 34.95 29.71 1oge s ARG 113 CO 0.07 -0.23 0.81 0.25 -0.81 0.00 0.00 175.30 175.39 1oge n THR 114 N 4.81 0.00 -0.08 4.11 -2.24 -0.34 -1.32 114.28 119.22 1oge n THR 114 Ca -0.05 -1.99 0.08 0.00 -2.27 0.00 0.00 64.05 59.82 1oge n THR 114 Cb 0.50 -0.49 0.28 0.00 -2.10 0.00 0.00 70.33 68.52 1oge n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oge n GLY 115 N -2.22 2.07 3.67 3.38 0.00 -0.06 -3.55 105.19 108.48 1oge n GLY 115 Ca 0.16 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1oge n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oge s GLU 116 N -1.70 4.14 -0.58 1.61 2.56 -1.22 0.53 118.70 124.05 1oge s GLU 116 Ca 0.40 2.62 0.01 0.00 0.00 0.00 0.00 54.97 58.00 1oge s GLU 116 Cb 0.25 -4.02 0.42 0.00 2.00 0.00 0.00 34.13 32.78 1oge s GLU 116 CO 0.20 -0.93 1.66 1.19 -0.56 0.00 0.00 175.26 176.82 1oge n PHE 117 N 7.08 3.09 -4.39 5.30 3.01 -1.26 -0.91 117.46 129.38 1oge n PHE 117 Ca 0.19 -2.68 -0.21 0.00 1.01 0.00 0.00 57.45 55.76 1oge n PHE 117 Cb 0.40 -0.87 -0.13 0.00 -0.01 0.00 0.00 39.48 38.87 1oge n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1oge s THR 118 N -4.96 1.27 0.26 4.37 -4.23 -1.26 -5.07 115.64 106.02 1oge s THR 118 Ca 0.55 -1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 59.64 1oge s THR 118 Cb 0.45 -1.15 -0.13 0.00 1.34 0.00 0.00 72.50 73.00 1oge s THR 118 CO -0.13 0.01 1.34 -2.65 -0.54 0.00 0.00 174.62 172.66 1oge n PRO 119 N 1.75 1.95 -2.39 3.99 -0.02 -1.26 -3.20 135.00 135.82 1oge n PRO 119 Ca -0.18 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1oge n PRO 119 Cb 0.54 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 1oge n PRO 119 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1oge n TYR 120 N 1.46 -1.44 -2.09 6.00 4.02 -1.26 -4.53 117.16 119.32 1oge n TYR 120 Ca 0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 1oge n TYR 120 Cb 0.32 -2.52 0.00 0.00 -0.02 0.00 0.00 39.34 37.12 1oge n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oge n ALA 121 N -2.12 5.45 -2.90 -0.72 0.00 -1.19 -4.67 120.51 114.35 1oge n ALA 121 Ca -0.13 -4.14 -0.09 0.00 0.00 0.00 0.00 53.44 49.08 1oge n ALA 121 Cb 0.58 -3.20 -0.11 0.00 0.00 0.00 0.00 19.45 16.72 1oge n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oge s ASN 122 N 1.79 0.25 0.01 0.00 -0.87 -1.26 -2.39 114.94 112.46 1oge s ASN 122 Ca 0.42 -0.53 -0.28 0.00 -1.57 0.00 0.00 52.86 50.91 1oge s ASN 122 Cb 0.11 0.12 0.07 0.00 -0.02 0.00 0.00 41.25 41.53 1oge s ASN 122 CO -0.03 -0.34 0.64 0.00 -2.57 0.00 0.00 177.10 174.80 1oge s ILE 124 N -1.88 3.75 -0.26 0.00 1.01 0.26 -1.36 121.20 122.72 1oge s ILE 124 Ca -0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1oge s ILE 124 Cb -0.00 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1oge s ILE 124 CO 0.04 0.43 0.16 -0.76 0.00 0.00 0.00 174.94 174.81 1oge s LEU 125 N 1.09 3.99 -0.29 2.97 1.43 -0.22 -1.35 118.68 126.30 1oge s LEU 125 Ca 0.02 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1oge s LEU 125 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1oge s LEU 125 CO 0.01 0.00 0.24 -1.58 0.23 0.00 0.00 176.35 175.25 1oge s GLN 126 N 1.43 3.90 0.25 1.70 0.74 0.00 -2.20 119.66 125.47 1oge s GLN 126 Ca 0.07 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 54.88 1oge s GLN 126 Cb -0.15 -3.68 -0.12 0.00 1.10 0.00 0.00 33.01 30.16 1oge s GLN 126 CO 0.07 -0.24 1.63 0.00 -0.55 0.00 0.00 175.29 176.20 1oge n ALA 127 N 5.13 2.45 -1.83 1.58 0.00 0.21 -1.07 120.51 126.99 1oge n ALA 127 Ca -0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1oge n ALA 127 Cb 0.51 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1oge n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oge n GLY 128 N 2.95 1.59 3.10 0.00 0.00 0.23 -0.33 105.19 112.74 1oge n GLY 128 Ca 0.12 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 1oge n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oge s VAL 129 N 2.04 0.80 -1.11 1.61 0.11 -1.26 -4.26 120.40 118.33 1oge s VAL 129 Ca 0.00 -1.11 0.08 0.00 -2.93 0.00 0.00 61.98 58.02 1oge s VAL 129 Cb 0.00 -0.80 0.35 0.00 -1.53 0.00 0.00 36.38 34.40 1oge s VAL 129 CO 0.00 -0.26 1.13 0.18 -3.33 0.00 0.00 175.10 172.82 1oge n LEU 130 N 1.52 2.71 0.00 2.54 4.77 -1.26 -5.09 117.00 122.19 1oge n LEU 130 Ca -0.21 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1oge n LEU 130 Cb 0.55 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1oge n LEU 130 CO 0.21 0.43 0.00 2.22 -1.33 0.00 0.00 177.39 178.93