#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 4.50 -0.02 0.03 2.20 -1.26 -4.97 119.74 120.22 1oge s LYS 2 Ca 0.00 1.54 -0.21 0.00 -0.36 0.00 0.00 55.97 56.94 1oge s LYS 2 Cb 0.00 -3.44 -0.26 0.00 -1.51 0.00 0.00 37.83 32.63 1oge s LYS 2 CO 0.00 -0.16 1.03 0.87 -0.36 0.00 0.00 175.35 176.73 1oge h LYS 3 N 6.86 0.34 -5.59 4.03 1.57 -2.04 -3.48 116.57 118.26 1oge h LYS 3 Ca -0.40 -0.42 -0.63 0.00 -1.87 0.00 0.00 60.65 57.33 1oge h LYS 3 Cb 1.21 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 33.53 1oge h LYS 3 CO 0.78 1.12 -0.56 -1.01 -0.57 0.00 0.00 179.45 179.21 1oge s HIS 4 N -2.97 2.36 0.00 -1.35 3.76 -1.26 -5.09 115.29 110.74 1oge s HIS 4 Ca -0.14 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1oge s HIS 4 Cb 0.02 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1oge s HIS 4 CO 0.81 0.35 0.00 0.41 -0.85 0.00 0.00 174.74 175.46 1oge n GLY 5 N -1.09 -2.98 3.76 -2.22 0.00 -1.26 -4.93 105.19 96.46 1oge n GLY 5 Ca -0.08 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.82 2.34 0.12 -0.61 2.07 -1.26 -4.95 121.20 118.09 1oge s ILE 6 Ca 0.00 0.26 -0.10 0.00 -1.41 0.00 0.00 60.65 59.40 1oge s ILE 6 Cb 0.00 -3.13 -0.15 0.00 0.13 0.00 0.00 42.46 39.31 1oge s ILE 6 CO 0.00 -0.00 1.33 0.25 -1.91 0.00 0.00 174.94 174.61 1oge h LEU 7 N 1.66 0.84 -9.33 8.50 5.85 -1.99 -3.45 115.31 117.39 1oge h LEU 7 Ca -0.50 -0.56 -0.54 0.00 0.84 0.00 0.00 57.88 57.11 1oge h LEU 7 Cb 1.28 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1oge h LEU 7 CO 0.58 1.35 0.99 0.21 -0.34 0.00 0.00 178.44 181.23 1oge s ASN 8 N -7.09 6.71 0.16 1.25 3.84 -1.26 -4.93 114.94 113.62 1oge s ASN 8 Ca -0.09 2.24 -0.14 0.00 0.21 0.00 0.00 52.86 55.08 1oge s ASN 8 Cb 0.09 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.29 1oge s ASN 8 CO 0.89 -0.86 1.76 0.77 -2.79 0.00 0.00 177.10 176.87 1oge h SER 9 N 8.76 0.67 -0.11 -4.21 4.64 -1.99 -0.36 113.55 120.94 1oge h SER 9 Ca -0.39 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 60.83 1oge h SER 9 Cb 1.18 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 1oge h SER 9 CO 0.94 0.59 0.00 0.45 -0.87 0.00 0.00 176.83 177.94 1oge h HIS 10 N 0.69 0.00 -0.56 4.77 3.86 -1.99 -2.28 115.15 119.64 1oge h HIS 10 Ca 0.18 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 1oge h HIS 10 Cb 0.09 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1oge h HIS 10 CO -0.01 -0.01 0.05 -0.07 0.86 0.00 0.00 177.93 178.75 1oge h LEU 11 N 0.04 0.89 -1.01 2.43 3.38 -1.93 -2.64 115.31 116.47 1oge h LEU 11 Ca 0.05 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1oge h LEU 11 Cb 0.06 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 1oge h LEU 11 CO -0.08 0.92 0.66 0.00 0.09 0.00 0.00 178.44 180.03 1oge h ALA 12 N 1.18 1.36 -0.63 1.53 0.00 -0.79 0.16 119.26 122.08 1oge h ALA 12 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1oge h ALA 12 Cb 0.44 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1oge h ALA 12 CO 0.02 0.52 0.05 0.87 0.00 0.00 0.00 179.25 180.70 1oge h LYS 13 N 1.24 1.07 -0.26 0.00 1.57 -1.08 -0.48 116.57 118.62 1oge h LYS 13 Ca 0.41 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1oge h LYS 13 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1oge h LYS 13 CO -0.14 1.01 -0.11 0.82 -0.57 0.00 0.00 179.45 180.45 1oge h ILE 14 N 0.98 1.30 -0.23 1.86 1.08 -1.01 -3.10 117.51 118.38 1oge h ILE 14 Ca 0.18 -1.18 -0.07 0.00 -0.39 0.00 0.00 64.86 63.41 1oge h ILE 14 Cb 0.50 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1oge h ILE 14 CO 0.02 0.37 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.64 1oge h LEU 15 N 0.26 0.38 -1.58 1.44 3.38 -0.86 -2.77 115.31 115.56 1oge h LEU 15 Ca 0.06 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1oge h LEU 15 Cb 0.61 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1oge h LEU 15 CO 0.04 0.56 0.38 0.00 0.09 0.00 0.00 178.44 179.50 1oge h ALA 16 N 1.48 1.88 -0.01 1.53 0.00 -1.01 -2.18 119.26 120.95 1oge h ALA 16 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1oge h ALA 16 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1oge h ALA 16 CO 0.03 0.02 -0.25 -0.25 0.00 0.00 0.00 179.25 178.79 1oge n ASP 17 N -4.47 1.57 -4.74 0.00 8.00 -1.06 -4.96 116.55 110.89 1oge n ASP 17 Ca 0.08 -1.27 -0.42 0.00 0.71 0.00 0.00 54.79 53.90 1oge n ASP 17 Cb 0.27 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 1oge n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oge s LEU 18 N -2.37 4.36 0.36 0.64 1.43 -0.82 -5.01 118.68 117.27 1oge s LEU 18 Ca 0.25 2.89 0.09 0.00 -1.03 0.00 0.00 54.13 56.33 1oge s LEU 18 Cb 0.19 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 1oge s LEU 18 CO 0.48 -0.93 -0.06 -0.83 0.23 0.00 0.00 176.35 175.25 1oge s GLY 19 N 0.79 2.29 0.05 -3.19 0.00 -1.26 -5.05 107.32 100.96 1oge s GLY 19 Ca 0.68 -2.16 -0.34 0.00 0.00 0.00 0.00 44.72 42.90 1oge s GLY 19 CO 0.41 -2.05 1.72 1.57 0.00 0.00 0.00 173.10 174.74 1oge n HIS 20 N -0.85 2.30 -0.41 1.90 -0.00 -1.26 -1.51 115.22 115.40 1oge n HIS 20 Ca -0.05 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1oge n HIS 20 Cb 0.65 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 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 4.20 0.00 -1.97 3.57 -2.24 -0.18 -5.00 114.28 112.67 1oge n THR 21 Ca 0.19 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.62 1oge n THR 21 Cb 0.29 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1oge n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1oge s ASP 22 N -3.15 5.14 0.02 3.42 1.01 -0.57 -4.58 116.67 117.96 1oge s ASP 22 Ca 0.00 2.35 0.07 0.00 0.71 0.00 0.00 52.55 55.69 1oge s ASP 22 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1oge s ASP 22 CO 0.00 -1.63 -0.22 -0.54 0.21 0.00 0.00 175.17 172.99 1oge s LYS 23 N -3.42 1.56 0.14 8.23 1.02 -1.26 -0.61 119.74 125.40 1oge s LYS 23 Ca 0.76 -0.91 0.07 0.00 0.02 0.00 0.00 55.97 55.91 1oge s LYS 23 Cb -0.29 -1.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1oge s LYS 23 CO 0.34 0.43 -0.15 0.96 -0.92 0.00 0.00 175.35 176.01 1oge s ILE 24 N -0.70 1.47 -0.07 2.17 -4.36 -0.90 -0.29 121.20 118.52 1oge s ILE 24 Ca 0.08 -1.81 0.05 0.00 -0.26 0.00 0.00 60.65 58.71 1oge s ILE 24 Cb -0.09 -1.66 -0.01 0.00 1.25 0.00 0.00 42.46 41.96 1oge s ILE 24 CO 0.01 -0.41 -0.24 -0.69 0.24 0.00 0.00 174.94 173.84 1oge s VAL 25 N -2.21 2.10 -0.17 8.37 1.01 0.05 -1.31 120.40 128.23 1oge s VAL 25 Ca 0.12 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1oge s VAL 25 Cb -0.05 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1oge s VAL 25 CO 0.04 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.10 1oge s ILE 26 N -0.02 4.38 0.19 2.22 1.01 -0.49 0.77 121.20 129.26 1oge s ILE 26 Ca -0.08 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1oge s ILE 26 Cb -0.15 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1oge s ILE 26 CO 0.05 0.47 -0.07 0.00 0.00 0.00 0.00 174.94 175.39 1oge s ALA 27 N 0.42 1.68 0.91 9.38 0.00 0.55 -1.56 121.76 133.14 1oge s ALA 27 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.23 1oge s ALA 27 Cb -0.13 0.20 0.17 0.00 0.00 0.00 0.00 23.12 23.35 1oge s ALA 27 CO 0.01 -0.13 1.02 -0.40 0.00 0.00 0.00 175.76 176.27 1oge n ASP 28 N -0.31 0.37 0.07 0.00 3.85 -1.05 -1.66 116.55 117.82 1oge n ASP 28 Ca -0.08 -1.55 0.10 0.00 -0.71 0.00 0.00 54.79 52.56 1oge n ASP 28 Cb 0.62 -0.76 0.43 0.00 -1.35 0.00 0.00 41.12 40.06 1oge n ASP 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1oge n ALA 29 N -3.49 1.78 0.45 2.12 0.00 -0.72 -3.59 120.51 117.05 1oge n ALA 29 Ca -0.17 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.37 1oge n ALA 29 Cb 0.48 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 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 0.25 -0.74 3.69 0.00 0.00 -1.26 -4.99 105.19 102.14 1oge n GLY 30 Ca 0.03 -0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.74 3.45 -4.79 0.99 7.94 -1.24 -4.95 117.00 116.67 1oge n LEU 31 Ca 0.00 1.06 -0.36 0.00 -1.11 0.00 0.00 56.01 55.61 1oge n LEU 31 Cb 0.36 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 42.78 1oge n LEU 31 CO 0.37 -0.10 0.69 -2.16 -1.11 0.00 0.00 177.39 175.08 1oge s PRO 32 N 1.27 4.26 -0.25 1.96 0.04 -1.26 -4.99 135.00 136.04 1oge s PRO 32 Ca 0.79 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 1oge s PRO 32 Cb -0.61 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1oge s PRO 32 CO 0.37 -0.03 0.08 0.08 0.04 0.00 0.00 177.00 177.54 1oge s VAL 33 N -1.77 4.43 0.58 -0.36 1.01 -1.26 -5.08 120.40 117.94 1oge s VAL 33 Ca 0.57 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 1oge s VAL 33 Cb -0.18 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1oge s VAL 33 CO 0.23 0.34 0.98 -2.65 0.00 0.00 0.00 175.10 174.00 1oge n PRO 34 N 4.87 0.99 -1.89 2.72 -0.02 -1.26 -4.89 135.00 135.52 1oge n PRO 34 Ca -0.16 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 1oge n PRO 34 Cb 0.51 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.16 6.51 0.00 2.55 1.01 -1.26 -2.39 116.67 121.93 1oge s ASP 35 Ca 0.74 2.83 0.00 0.00 0.71 0.00 0.00 52.55 56.83 1oge s ASP 35 Cb -0.43 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 40.86 1oge s ASP 35 CO 0.49 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1oge n GLY 36 N 1.92 3.31 3.73 0.21 0.00 -1.26 -5.04 105.19 108.05 1oge n GLY 36 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.72 5.05 0.23 1.61 1.01 -1.00 -5.02 120.40 119.56 1oge s VAL 37 Ca 0.00 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.95 1oge s VAL 37 Cb 0.00 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 1oge s VAL 37 CO 0.00 0.31 1.55 -0.22 0.00 0.00 0.00 175.10 176.74 1oge s LEU 38 N 0.53 4.37 -0.17 3.92 2.96 -1.26 -4.85 118.68 124.18 1oge s LEU 38 Ca 0.33 2.75 -0.02 0.00 -0.22 0.00 0.00 54.13 56.98 1oge s LEU 38 Cb -0.17 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 1oge s LEU 38 CO 0.16 -0.82 -0.09 -0.75 -1.32 0.00 0.00 176.35 173.53 1oge s LYS 39 N 0.18 3.41 -0.29 1.98 2.20 -1.26 -0.84 119.74 125.11 1oge s LYS 39 Ca 0.65 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.63 1oge s LYS 39 Cb -0.45 -2.80 0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1oge s LYS 39 CO 0.40 0.06 -0.03 0.42 -0.36 0.00 0.00 175.35 175.84 1oge s ILE 40 N 0.77 2.42 -0.38 5.43 1.01 -0.33 -4.98 121.20 125.16 1oge s ILE 40 Ca -0.04 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 58.66 1oge s ILE 40 Cb -0.15 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1oge s ILE 40 CO 0.01 -0.21 0.50 -0.62 0.00 0.00 0.00 174.94 174.63 1oge s ASP 41 N 1.13 6.28 0.00 3.58 -1.08 -1.26 -1.01 116.67 124.31 1oge s ASP 41 Ca -0.03 -0.21 0.20 0.00 -0.52 0.00 0.00 52.55 51.99 1oge s ASP 41 Cb -0.20 -2.26 -0.10 0.00 -1.46 0.00 0.00 42.92 38.90 1oge s ASP 41 CO -0.05 -0.53 0.92 0.18 0.52 0.00 0.00 175.17 176.21 1oge n LEU 42 N 5.76 1.44 -4.73 -1.34 4.77 -0.47 -4.96 117.00 117.48 1oge n LEU 42 Ca -0.05 -0.64 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 1oge n LEU 42 Cb 0.48 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1oge n LEU 42 CO 0.46 0.30 0.95 -1.54 -1.33 0.00 0.00 177.39 176.22 1oge n SER 43 N -0.70 2.66 -0.00 -1.43 3.41 -1.21 -4.37 113.62 111.98 1oge n SER 43 Ca 0.06 1.03 -0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1oge n SER 43 Cb 0.37 -1.55 -0.00 0.00 -0.26 0.00 0.00 64.21 62.77 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 -0.49 1.88 -3.63 1.04 0.00 0.10 -4.93 117.00 110.98 1oge n LEU 44 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 56.02 1oge n LEU 44 Cb 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.83 1oge n LEU 44 CO 0.56 0.32 0.56 -1.59 0.00 0.00 0.00 177.39 177.23 1oge s LYS 45 N -2.00 1.28 -0.08 1.96 -2.85 -1.14 -5.05 119.74 111.85 1oge s LYS 45 Ca -0.00 -0.61 -0.39 0.00 -1.00 0.00 0.00 55.97 53.97 1oge s LYS 45 Cb 0.00 0.50 -0.17 0.00 -2.06 0.00 0.00 37.83 36.11 1oge s LYS 45 CO 0.00 -0.58 1.46 -2.30 0.10 0.00 0.00 175.35 174.04 1oge n PRO 46 N -0.39 0.94 -0.59 1.78 -0.02 -1.26 -0.93 135.00 134.53 1oge n PRO 46 Ca -0.09 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1oge n PRO 46 Cb 0.62 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 3.06 1.22 2.72 -1.23 0.00 0.27 -4.99 105.19 106.24 1oge n GLY 47 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 0.74 0.60 0.99 0.20 -0.11 -3.09 118.68 118.01 1oge s LEU 48 Ca 0.00 -0.45 -0.12 0.00 0.69 0.00 0.00 54.13 54.25 1oge s LEU 48 Cb 0.00 -0.44 -0.05 0.00 -0.43 0.00 0.00 46.19 45.27 1oge s LEU 48 CO 0.00 -0.27 1.02 -2.84 -0.29 0.00 0.00 176.35 173.97 1oge s PRO 49 N 1.97 3.68 0.45 0.98 0.02 -1.26 -0.72 135.00 140.12 1oge s PRO 49 Ca 0.02 0.79 -0.11 0.00 0.02 0.00 0.00 61.00 61.72 1oge s PRO 49 Cb -0.15 -2.09 -0.06 0.00 0.02 0.00 0.00 34.50 32.22 1oge s PRO 49 CO -0.07 -0.50 0.84 0.00 -0.33 0.00 0.00 177.00 176.94 1oge s ALA 50 N -3.06 3.27 0.18 -1.55 0.00 -1.18 -0.87 121.76 118.56 1oge s ALA 50 Ca 0.56 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.25 1oge s ALA 50 Cb -0.11 -2.81 0.16 0.00 0.00 0.00 0.00 23.12 20.36 1oge s ALA 50 CO 0.49 -0.14 1.74 0.35 0.00 0.00 0.00 175.76 178.20 1oge h PHE 51 N 0.97 0.24 -0.57 0.00 3.57 -1.93 -1.90 116.94 117.32 1oge h PHE 51 Ca -0.47 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.08 1oge h PHE 51 Cb 1.19 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 1oge h PHE 51 CO 0.62 0.06 0.36 1.96 -2.23 0.00 0.00 178.31 179.08 1oge h GLN 52 N 0.30 0.70 -0.70 1.11 4.20 -1.98 -0.65 115.11 118.08 1oge h GLN 52 Ca 0.23 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1oge h GLN 52 Cb 0.26 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1oge h GLN 52 CO -0.25 0.46 0.41 -0.44 -0.67 0.00 0.00 178.83 178.34 1oge h ASP 53 N 0.72 0.86 -0.17 1.46 3.45 -1.81 -1.52 116.42 119.41 1oge h ASP 53 Ca 0.22 -0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.54 1oge h ASP 53 Cb -0.02 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.53 1oge h ASP 53 CO -0.08 0.68 -0.15 0.74 -1.57 0.00 0.00 179.24 178.86 1oge h THR 54 N 0.96 1.34 -0.71 0.35 2.02 -1.07 -2.72 112.91 113.09 1oge h THR 54 Ca 0.25 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1oge h THR 54 Cb -0.00 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1oge h THR 54 CO -0.04 0.39 0.41 0.00 0.37 0.00 0.00 175.52 176.64 1oge h ALA 55 N 0.63 1.40 -0.01 6.16 0.00 -1.05 -1.82 119.26 124.57 1oge h ALA 55 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1oge h ALA 55 Cb 0.68 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1oge h ALA 55 CO 0.04 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1oge h ALA 56 N 1.48 0.02 -0.35 0.00 0.00 -1.24 -0.91 119.26 118.25 1oge h ALA 56 Ca 0.25 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1oge h ALA 56 Cb -0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1oge h ALA 56 CO -0.05 -0.40 0.14 0.28 0.00 0.00 0.00 179.25 179.23 1oge h VAL 57 N -0.15 0.92 -0.82 0.00 2.07 -1.21 -2.52 116.25 114.54 1oge h VAL 57 Ca 0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1oge h VAL 57 Cb 0.17 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1oge h VAL 57 CO -0.00 0.05 0.36 -0.07 0.02 0.00 0.00 177.57 177.93 1oge h LEU 58 N 0.30 1.11 -1.94 2.57 -0.00 -1.24 -2.31 115.31 113.80 1oge h LEU 58 Ca 0.16 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1oge h LEU 58 Cb 0.12 -0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 40.49 1oge h LEU 58 CO -0.15 0.96 -0.01 0.00 -0.00 0.00 0.00 178.44 179.24 1oge h ALA 59 N 1.19 1.95 0.00 1.53 0.00 -0.79 0.83 119.26 123.97 1oge h ALA 59 Ca 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1oge h ALA 59 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1oge h ALA 59 CO -0.03 0.04 -0.48 1.49 0.00 0.00 0.00 179.25 180.27 1oge h GLU 60 N 0.02 0.00 -0.00 0.00 4.57 -1.02 -3.36 114.58 114.79 1oge h GLU 60 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1oge h GLU 60 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1oge h GLU 60 CO 0.00 0.15 -0.50 0.39 -1.18 0.00 0.00 179.01 177.87 1oge n GLU 61 N -3.02 3.27 -4.62 1.92 -0.58 -0.74 -5.00 120.64 111.87 1oge n GLU 61 Ca 0.01 -0.04 -0.25 0.00 -0.42 0.00 0.00 57.16 56.46 1oge n GLU 61 Cb 0.62 -1.03 -0.14 0.00 -0.57 0.00 0.00 31.44 30.32 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 -2.01 1.35 -0.53 3.49 1.75 0.21 -4.94 119.30 118.62 1oge s MET 62 Ca 0.05 -0.93 -0.24 0.00 -1.25 0.00 0.00 55.69 53.32 1oge s MET 62 Cb 0.08 -1.46 0.04 0.00 2.84 0.00 0.00 34.83 36.33 1oge s MET 62 CO 0.44 0.37 0.90 0.00 -0.65 0.00 0.00 175.02 176.08 1oge s ALA 63 N -0.81 3.20 -0.19 4.11 0.00 -1.26 -4.71 121.76 122.11 1oge s ALA 63 Ca 0.07 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 1oge s ALA 63 Cb -0.09 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1oge s ALA 63 CO 0.02 -2.29 0.33 0.08 0.00 0.00 0.00 175.76 173.90 1oge s VAL 64 N 3.75 5.26 -0.14 0.00 1.01 -1.26 -0.17 120.40 128.85 1oge s VAL 64 Ca 0.29 0.59 0.16 0.00 0.00 0.00 0.00 61.98 63.02 1oge s VAL 64 Cb -0.13 -3.67 -0.23 0.00 0.00 0.00 0.00 36.38 32.35 1oge s VAL 64 CO 0.19 0.32 0.15 1.21 0.00 0.00 0.00 175.10 176.97 1oge n GLU 65 N 4.06 1.02 -3.56 2.72 2.13 0.10 -4.76 120.64 122.35 1oge n GLU 65 Ca -0.10 -0.05 -0.17 0.00 0.66 0.00 0.00 57.16 57.50 1oge n GLU 65 Cb 0.51 -1.45 -0.06 0.00 0.27 0.00 0.00 31.44 30.72 1oge n GLU 65 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1oge s LYS 66 N -2.63 0.99 -0.04 5.31 2.20 -1.16 -3.95 119.74 120.46 1oge s LYS 66 Ca -0.08 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1oge s LYS 66 Cb 0.07 0.47 -0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1oge s LYS 66 CO 0.73 -0.31 -0.15 0.08 -0.36 0.00 0.00 175.35 175.34 1oge s VAL 67 N -1.28 1.28 -0.06 4.02 1.01 0.58 -1.11 120.40 124.84 1oge s VAL 67 Ca -0.11 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1oge s VAL 67 Cb -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1oge s VAL 67 CO 0.08 0.37 -0.17 -0.63 0.00 0.00 0.00 175.10 174.76 1oge s ILE 68 N 0.05 1.48 0.18 2.22 1.01 -0.26 -0.33 121.20 125.55 1oge s ILE 68 Ca -0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 1oge s ILE 68 Cb -0.11 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1oge s ILE 68 CO 0.02 0.43 0.20 0.00 0.00 0.00 0.00 174.94 175.59 1oge s ALA 69 N 0.27 0.60 0.06 9.38 0.00 -0.74 -0.22 121.76 131.11 1oge s ALA 69 Ca -0.10 -1.32 -0.23 0.00 0.00 0.00 0.00 51.96 50.31 1oge s ALA 69 Cb -0.14 1.08 -0.06 0.00 0.00 0.00 0.00 23.12 24.00 1oge s ALA 69 CO 0.04 -0.62 0.68 0.00 0.00 0.00 0.00 175.76 175.86 1oge s ALA 70 N -4.06 3.45 0.43 0.00 0.00 -1.26 -1.74 121.76 118.58 1oge s ALA 70 Ca 0.28 0.18 0.16 0.00 0.00 0.00 0.00 51.96 52.58 1oge s ALA 70 Cb 0.05 -2.85 1.07 0.00 0.00 0.00 0.00 23.12 21.39 1oge s ALA 70 CO 0.06 0.19 1.93 0.00 0.00 0.00 0.00 175.76 177.94 1oge h ALA 71 N 5.23 2.14 -0.09 0.00 0.00 -0.52 -0.54 119.26 125.47 1oge h ALA 71 Ca -0.46 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1oge h ALA 71 Cb 1.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1oge h ALA 71 CO 0.68 -0.33 0.31 0.93 0.00 0.00 0.00 179.25 180.84 1oge h GLU 72 N 0.39 0.00 0.00 0.00 3.07 -1.93 -0.98 114.58 115.13 1oge h GLU 72 Ca 0.36 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 1oge h GLU 72 Cb 0.85 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1oge h GLU 72 CO -0.11 0.00 -0.28 0.97 -1.40 0.00 0.00 179.01 178.20 1oge h ILE 73 N 0.00 1.03 -0.02 3.13 2.10 -1.36 -1.66 117.51 120.74 1oge h ILE 73 Ca 0.04 -1.00 -0.13 0.00 1.08 0.00 0.00 64.86 64.85 1oge h ILE 73 Cb 0.66 1.57 -0.02 0.00 -1.09 0.00 0.00 36.82 37.94 1oge h ILE 73 CO -0.00 0.27 -0.61 0.11 -1.08 0.00 0.00 178.15 176.84 1oge h LYS 74 N 0.00 0.06 0.19 2.19 1.57 -1.37 -0.98 116.57 118.24 1oge h LYS 74 Ca -0.00 -0.04 -0.34 0.00 -1.87 0.00 0.00 60.65 58.40 1oge h LYS 74 Cb 0.54 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.88 1oge h LYS 74 CO 0.04 0.65 -1.63 0.00 -0.57 0.00 0.00 179.45 177.94 1oge h ALA 75 N 1.34 0.08 -0.01 3.86 0.00 -1.54 -3.37 119.26 119.62 1oge h ALA 75 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1oge h ALA 75 Cb 1.09 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1oge h ALA 75 CO 0.08 0.95 -0.24 0.43 0.00 0.00 0.00 179.25 180.47 1oge n SER 76 N -3.60 1.19 -2.76 0.00 7.64 -0.67 -4.74 113.62 110.67 1oge n SER 76 Ca -0.21 -1.09 -0.10 0.00 1.01 0.00 0.00 58.87 58.48 1oge n SER 76 Cb 1.08 0.51 0.06 0.00 -1.01 0.00 0.00 64.21 64.85 1oge n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1oge n ASN 77 N -0.32 -0.11 -0.31 6.43 2.85 -0.38 -4.78 115.26 118.64 1oge n ASN 77 Ca 0.04 -2.78 0.24 0.00 -0.11 0.00 0.00 54.58 51.97 1oge n ASN 77 Cb 0.22 0.21 0.54 0.00 1.24 0.00 0.00 39.78 41.99 1oge n ASN 77 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1oge h GLN 78 N 2.68 0.33 0.41 1.20 4.20 -1.71 -0.33 115.11 121.90 1oge h GLN 78 Ca -0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1oge h GLN 78 Cb 1.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1oge h GLN 78 CO 0.28 0.22 -0.20 1.49 -0.67 0.00 0.00 178.83 179.95 1oge h GLU 79 N 0.34 -0.53 -0.06 1.46 4.81 -1.93 0.37 114.58 119.04 1oge h GLU 79 Ca 0.58 0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.73 1oge h GLU 79 Cb 1.56 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1oge h GLU 79 CO -0.25 -0.36 -0.45 -0.91 -0.73 0.00 0.00 179.01 176.31 1oge h ASN 80 N -0.55 0.15 -0.70 1.04 2.35 -1.68 -2.21 115.58 113.98 1oge h ASN 80 Ca -0.06 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1oge h ASN 80 Cb 0.42 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1oge h ASN 80 CO 0.09 0.59 0.32 0.00 -1.65 0.00 0.00 177.43 176.78 1oge h ALA 81 N 1.42 0.91 -0.29 -0.83 0.00 -0.83 -1.72 119.26 117.91 1oge h ALA 81 Ca 0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1oge h ALA 81 Cb 0.85 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1oge h ALA 81 CO 0.07 0.49 -0.12 0.87 0.00 0.00 0.00 179.25 180.56 1oge h LYS 82 N 0.99 0.59 -0.31 0.00 1.57 -0.68 -2.67 116.57 116.06 1oge h LYS 82 Ca 0.24 -0.25 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1oge h LYS 82 Cb 0.15 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 1oge h LYS 82 CO -0.03 0.82 -0.23 0.35 -0.57 0.00 0.00 179.45 179.79 1oge h PHE 83 N 0.35 -0.62 -0.71 -1.35 3.57 -1.16 -1.55 116.94 115.46 1oge h PHE 83 Ca 0.07 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1oge h PHE 83 Cb 0.63 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1oge h PHE 83 CO 0.06 -0.31 0.39 1.25 -2.23 0.00 0.00 178.31 177.46 1oge h LEU 84 N -0.21 0.55 -0.39 0.59 5.85 -1.27 0.16 115.31 120.59 1oge h LEU 84 Ca 0.16 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1oge h LEU 84 Cb 0.46 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1oge h LEU 84 CO -0.43 0.34 0.21 -0.33 -0.34 0.00 0.00 178.44 177.89 1oge h GLU 85 N 0.69 0.41 -0.19 1.25 4.39 -0.95 -2.43 114.58 117.74 1oge h GLU 85 Ca 0.33 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.88 1oge h GLU 85 Cb 0.27 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1oge h GLU 85 CO -0.22 0.27 -0.40 -0.91 -1.16 0.00 0.00 179.01 176.59 1oge h ASN 86 N 0.42 0.69 -0.71 1.42 -0.26 -0.83 -3.12 115.58 113.18 1oge h ASN 86 Ca 0.16 -0.55 0.05 0.00 -0.56 0.00 0.00 56.30 55.40 1oge h ASN 86 Cb 0.05 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.06 1oge h ASN 86 CO -0.10 1.11 0.43 0.25 -1.06 0.00 0.00 177.43 178.06 1oge h LEU 87 N 0.29 0.67 -5.02 1.61 5.85 -0.90 -2.98 115.31 114.82 1oge h LEU 87 Ca 0.01 0.01 -0.70 0.00 0.84 0.00 0.00 57.88 58.03 1oge h LEU 87 Cb 1.00 -0.13 -0.33 0.00 0.37 0.00 0.00 40.66 41.57 1oge h LEU 87 CO 0.09 0.45 0.37 0.49 -0.34 0.00 0.00 178.44 179.50 1oge n PHE 88 N -4.71 3.18 -0.17 1.25 3.01 -0.92 -4.80 117.46 114.30 1oge n PHE 88 Ca 0.09 -2.73 -0.02 0.00 1.01 0.00 0.00 57.45 55.79 1oge n PHE 88 Cb 0.13 -0.79 0.07 0.00 -0.01 0.00 0.00 39.48 38.89 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 3.01 0.13 1.03 4.37 0.02 -1.46 -2.46 113.55 118.21 1oge h SER 89 Ca 0.45 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1oge h SER 89 Cb 0.38 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1oge h SER 89 CO 1.18 0.10 -0.04 -0.62 -1.14 0.00 0.00 176.83 176.31 1oge n GLU 90 N -5.04 0.04 -3.55 3.45 1.02 -1.26 -4.89 120.64 110.41 1oge n GLU 90 Ca 0.06 0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 1oge n GLU 90 Cb 0.23 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -3.02 3.04 -0.05 3.49 1.11 -0.93 -5.08 119.66 118.22 1oge s GLN 91 Ca 0.13 -1.07 -0.29 0.00 0.01 0.00 0.00 55.36 54.14 1oge s GLN 91 Cb 0.18 -2.74 -0.02 0.00 -1.01 0.00 0.00 33.01 29.41 1oge s GLN 91 CO 0.55 0.08 0.95 -2.00 0.01 0.00 0.00 175.29 174.88 1oge s GLU 92 N -4.13 4.49 -0.22 2.91 2.12 -1.25 -4.94 118.70 117.67 1oge s GLU 92 Ca 0.44 1.33 -0.02 0.00 0.36 0.00 0.00 54.97 57.08 1oge s GLU 92 Cb -0.09 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1oge s GLU 92 CO 0.30 -0.14 -0.08 0.42 -0.54 0.00 0.00 175.26 175.22 1oge s ILE 93 N 1.38 2.95 -0.14 -3.70 1.01 -1.26 -0.30 121.20 121.14 1oge s ILE 93 Ca 0.48 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1oge s ILE 93 Cb -0.19 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1oge s ILE 93 CO 0.23 0.36 -0.06 -0.70 0.00 0.00 0.00 174.94 174.77 1oge s GLU 94 N 1.39 3.47 -0.17 2.79 2.12 0.55 -4.98 118.70 123.86 1oge s GLU 94 Ca 0.04 -0.55 -0.07 0.00 0.36 0.00 0.00 54.97 54.75 1oge s GLU 94 Cb -0.15 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1oge s GLU 94 CO -0.06 0.31 0.06 0.71 -0.54 0.00 0.00 175.26 175.74 1oge s TYR 95 N 0.16 3.25 0.31 5.30 1.51 -1.26 -1.79 117.35 124.83 1oge s TYR 95 Ca -0.03 0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 1oge s TYR 95 Cb -0.14 -2.03 -0.06 0.00 -0.11 0.00 0.00 41.96 39.62 1oge s TYR 95 CO 0.03 0.22 0.08 -0.51 -1.11 0.00 0.00 175.55 174.26 1oge s LEU 96 N 0.14 1.97 0.48 -1.29 1.43 -0.71 -4.82 118.68 115.89 1oge s LEU 96 Ca 0.04 -1.41 -0.21 0.00 -1.03 0.00 0.00 54.13 51.52 1oge s LEU 96 Cb -0.12 -0.21 -0.07 0.00 0.03 0.00 0.00 46.19 45.81 1oge s LEU 96 CO 0.01 -0.68 1.11 -0.94 0.23 0.00 0.00 176.35 176.07 1oge s SER 97 N -3.44 6.14 0.37 2.29 1.04 -1.26 0.24 113.70 119.09 1oge s SER 97 Ca 0.36 2.14 0.14 0.00 0.48 0.00 0.00 55.95 59.06 1oge s SER 97 Cb 0.08 -2.58 0.97 0.00 0.10 0.00 0.00 66.02 64.59 1oge s SER 97 CO 0.15 -0.93 1.81 -0.74 0.98 0.00 0.00 173.24 174.51 1oge h HIS 98 N 1.71 0.75 -0.57 5.02 2.76 -1.92 -0.05 115.15 122.86 1oge h HIS 98 Ca -0.49 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.69 1oge h HIS 98 Cb 1.24 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 1oge h HIS 98 CO 0.54 0.16 0.33 0.93 -1.30 0.00 0.00 177.93 178.59 1oge h GLU 99 N 0.53 0.77 -0.15 5.26 4.39 -2.00 -1.44 114.58 121.94 1oge h GLU 99 Ca 0.54 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.99 1oge h GLU 99 Cb 1.16 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1oge h GLU 99 CO -0.27 0.57 -0.60 0.93 -1.16 0.00 0.00 179.01 178.47 1oge h GLU 100 N 0.76 0.51 -0.47 2.33 4.39 -1.56 -3.01 114.58 117.54 1oge h GLU 100 Ca 0.20 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.61 1oge h GLU 100 Cb -0.00 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1oge h GLU 100 CO -0.04 0.96 0.19 0.35 -1.16 0.00 0.00 179.01 179.31 1oge h PHE 101 N 0.38 0.33 -0.68 4.33 3.57 -0.65 -1.89 116.94 122.33 1oge h PHE 101 Ca -0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1oge h PHE 101 Cb 1.15 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1oge h PHE 101 CO 0.04 0.13 0.31 0.87 -2.23 0.00 0.00 178.31 177.43 1oge h LYS 102 N 0.37 0.97 -0.49 1.11 1.57 -1.19 -1.99 116.57 116.92 1oge h LYS 102 Ca 0.22 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1oge h LYS 102 Cb 0.20 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1oge h LYS 102 CO -0.21 0.76 0.14 -0.07 -0.57 0.00 0.00 179.45 179.50 1oge h LEU 103 N 0.96 0.68 -1.46 2.94 3.38 -1.27 -2.36 115.31 118.18 1oge h LEU 103 Ca 0.23 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1oge h LEU 103 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1oge h LEU 103 CO -0.03 0.66 -0.25 -0.07 0.09 0.00 0.00 178.44 178.84 1oge h LEU 104 N 0.72 0.00 -1.94 1.67 -0.00 -0.61 -2.90 115.31 112.25 1oge h LEU 104 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1oge h LEU 104 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1oge h LEU 104 CO -0.01 0.25 -0.05 0.71 -0.00 0.00 0.00 178.44 179.35 1oge h THR 105 N 0.00 0.19 0.00 0.22 1.35 -1.12 -2.43 112.91 111.12 1oge h THR 105 Ca -0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1oge h THR 105 Cb 0.56 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1oge h THR 105 CO 0.03 0.05 -0.03 0.11 -0.25 0.00 0.00 175.52 175.43 1oge h LYS 106 N 0.00 0.00 -0.01 4.72 1.57 -1.61 -1.73 116.57 119.50 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 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1oge h LYS 106 CO 0.01 0.03 -0.23 -0.25 -0.57 0.00 0.00 179.45 178.44 1oge n ASP 107 N -3.33 1.45 -4.78 0.86 8.00 -0.92 -4.91 116.55 112.92 1oge n ASP 107 Ca -0.02 -1.21 -0.34 0.00 0.71 0.00 0.00 54.79 53.93 1oge n ASP 107 Cb 0.17 0.16 0.01 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.36 2.68 -0.51 2.24 0.00 -0.65 -4.70 121.76 118.46 1oge s ALA 108 Ca 0.26 0.68 0.24 0.00 0.00 0.00 0.00 51.96 53.15 1oge s ALA 108 Cb 0.19 -3.32 0.51 0.00 0.00 0.00 0.00 23.12 20.51 1oge s ALA 108 CO 0.48 -0.80 1.67 0.87 0.00 0.00 0.00 175.76 177.97 1oge h LYS 109 N 0.93 0.00 -1.42 0.00 1.79 -0.98 -3.45 116.57 113.43 1oge h LYS 109 Ca -0.49 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.19 1oge h LYS 109 Cb 1.25 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.68 1oge h LYS 109 CO 0.57 0.00 0.78 0.00 -1.08 0.00 0.00 179.45 179.72 1oge s ALA 110 N -3.19 -2.05 -0.14 3.86 0.00 -1.26 -4.22 121.76 114.76 1oge s ALA 110 Ca 0.08 1.65 0.02 0.00 0.00 0.00 0.00 51.96 53.70 1oge s ALA 110 Cb 0.07 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1oge s ALA 110 CO 0.64 -0.46 -0.21 0.08 0.00 0.00 0.00 175.76 175.82 1oge s VAL 111 N -1.85 2.15 -0.32 0.00 1.01 -0.02 -0.77 120.40 120.60 1oge s VAL 111 Ca 0.07 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1oge s VAL 111 Cb -0.01 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1oge s VAL 111 CO -0.04 0.54 0.19 -0.63 0.00 0.00 0.00 175.10 175.16 1oge s ILE 112 N 0.84 4.95 -0.12 2.22 1.01 0.23 -1.18 121.20 129.14 1oge s ILE 112 Ca -0.06 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 1oge s ILE 112 Cb -0.15 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1oge s ILE 112 CO -0.02 0.04 0.54 -0.60 0.00 0.00 0.00 174.94 174.90 1oge s ARG 113 N 1.67 4.33 0.47 2.79 3.52 -0.18 -0.33 118.95 131.22 1oge s ARG 113 Ca 0.05 0.55 0.05 0.00 -0.13 0.00 0.00 55.73 56.25 1oge s ARG 113 Cb -0.17 -3.47 0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1oge s ARG 113 CO 0.08 0.07 0.43 0.25 -0.81 0.00 0.00 175.30 175.32 1oge n THR 114 N 3.89 0.00 0.10 4.11 -2.24 -0.67 -1.36 114.28 118.10 1oge n THR 114 Ca -0.05 -1.78 0.09 0.00 -2.27 0.00 0.00 64.05 60.03 1oge n THR 114 Cb 0.51 -0.23 0.26 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.67 1.80 3.67 3.38 0.00 -0.05 -3.80 105.19 109.52 1oge n GLY 115 Ca 0.02 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 1oge n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1oge n GLU 116 N 1.10 2.50 -1.54 1.61 4.07 -1.22 0.95 120.64 128.11 1oge n GLU 116 Ca 0.19 0.92 -0.29 0.00 -0.06 0.00 0.00 57.16 57.92 1oge n GLU 116 Cb 0.54 -2.81 0.07 0.00 -0.06 0.00 0.00 31.44 29.19 1oge n GLU 116 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1oge n PHE 117 N 6.81 2.94 -4.42 4.31 3.01 -1.26 -1.76 117.46 127.09 1oge n PHE 117 Ca 0.21 -2.62 -0.24 0.00 1.01 0.00 0.00 57.45 55.81 1oge n PHE 117 Cb 0.34 -0.99 -0.13 0.00 -0.01 0.00 0.00 39.48 38.69 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 -4.60 1.58 0.39 4.37 -4.23 -1.26 -5.07 115.64 106.82 1oge s THR 118 Ca 0.59 -1.33 -0.27 0.00 -1.18 0.00 0.00 61.69 59.49 1oge s THR 118 Cb 0.47 -1.42 -0.11 0.00 1.34 0.00 0.00 72.50 72.78 1oge s THR 118 CO 0.01 0.03 1.35 -2.65 -0.54 0.00 0.00 174.62 172.82 1oge n PRO 119 N 1.48 2.21 -2.22 3.99 -0.02 -1.26 -3.46 135.00 135.72 1oge n PRO 119 Ca -0.19 0.78 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1oge n PRO 119 Cb 0.54 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.12 -1.26 -2.14 6.00 4.02 -1.26 -4.61 117.16 118.03 1oge n TYR 120 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1oge n TYR 120 Cb 0.38 -2.56 0.00 0.00 -0.02 0.00 0.00 39.34 37.15 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 -1.72 5.57 -2.71 -0.72 0.00 -1.22 -4.66 120.51 115.04 1oge n ALA 121 Ca -0.13 -4.18 -0.11 0.00 0.00 0.00 0.00 53.44 49.02 1oge n ALA 121 Cb 0.55 -3.11 -0.11 0.00 0.00 0.00 0.00 19.45 16.79 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 1.39 0.70 0.03 0.00 -0.87 -1.26 -2.52 114.94 112.42 1oge s ASN 122 Ca 0.43 -0.65 -0.25 0.00 -1.57 0.00 0.00 52.86 50.82 1oge s ASN 122 Cb 0.12 0.08 0.06 0.00 -0.02 0.00 0.00 41.25 41.48 1oge s ASN 122 CO -0.03 -0.31 0.57 0.00 -2.57 0.00 0.00 177.10 174.77 1oge s ILE 124 N -2.24 3.56 -0.26 0.00 1.01 0.69 -1.39 121.20 122.57 1oge s ILE 124 Ca -0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 1oge s ILE 124 Cb -0.01 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1oge s ILE 124 CO 0.00 0.46 0.14 -0.76 0.00 0.00 0.00 174.94 174.77 1oge s LEU 125 N 0.93 3.79 -0.28 2.97 1.43 -0.43 -1.10 118.68 126.00 1oge s LEU 125 Ca -0.00 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1oge s LEU 125 Cb -0.15 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1oge s LEU 125 CO 0.01 -0.03 0.25 -1.58 0.23 0.00 0.00 176.35 175.23 1oge s GLN 126 N 1.60 3.98 0.42 1.70 0.74 -0.27 -2.11 119.66 125.71 1oge s GLN 126 Ca 0.07 -0.20 -0.27 0.00 0.05 0.00 0.00 55.36 55.01 1oge s GLN 126 Cb -0.15 -3.65 -0.10 0.00 1.10 0.00 0.00 33.01 30.21 1oge s GLN 126 CO 0.07 -0.20 1.47 0.00 -0.55 0.00 0.00 175.29 176.07 1oge s ALA 127 N 1.84 3.40 0.00 1.58 0.00 0.22 -0.72 121.76 128.09 1oge s ALA 127 Ca 0.10 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1oge s ALA 127 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1oge s ALA 127 CO 0.10 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1oge n GLY 128 N 0.51 3.43 3.45 0.00 0.00 0.76 -1.01 105.19 112.33 1oge n GLY 128 Ca 0.03 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 1oge n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oge s VAL 129 N 1.04 2.51 -1.19 1.61 -7.23 -1.26 -4.36 120.40 111.52 1oge s VAL 129 Ca 0.00 -1.87 0.11 0.00 -1.81 0.00 0.00 61.98 58.41 1oge s VAL 129 Cb 0.00 -2.19 0.46 0.00 0.56 0.00 0.00 36.38 35.22 1oge s VAL 129 CO 0.00 -0.05 1.30 0.18 -0.31 0.00 0.00 175.10 176.22 1oge n LEU 130 N 0.41 3.29 0.00 1.32 4.77 -1.26 -5.08 117.00 120.45 1oge n LEU 130 Ca -0.14 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1oge n LEU 130 Cb 0.55 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1oge n LEU 130 CO 0.29 0.54 0.00 2.22 -1.33 0.00 0.00 177.39 179.11