#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gac s GLU 5 N 1.05 2.94 -0.19 0.00 2.02 0.03 -1.40 118.70 123.15 3gac s GLU 5 Ca 0.00 -1.33 -0.17 0.00 0.02 0.00 0.00 54.97 53.49 3gac s GLU 5 Cb -0.20 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 29.91 3gac s GLU 5 CO -0.06 -0.99 0.47 -1.17 0.02 0.00 0.00 175.26 173.53 3gac s LEU 6 N 1.62 4.17 -0.15 1.80 2.96 -0.55 -0.72 118.68 127.81 3gac s LEU 6 Ca 0.04 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3gac s LEU 6 Cb -0.24 -2.63 0.01 0.00 0.50 0.00 0.00 46.19 43.83 3gac s LEU 6 CO 0.07 -0.11 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.14 3gac s ILE 7 N 1.35 2.05 -0.02 6.68 1.01 0.12 -0.49 121.20 131.91 3gac s ILE 7 Ca 0.22 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.76 3gac s ILE 7 Cb -0.15 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3gac s ILE 7 CO 0.09 0.55 0.31 0.28 0.00 0.00 0.00 174.94 176.17 3gac s THR 8 N 0.91 0.06 -2.19 2.92 -1.32 -0.79 -0.45 115.64 114.76 3gac s THR 8 Ca -0.05 -0.46 0.18 0.00 -1.21 0.00 0.00 61.69 60.16 3gac s THR 8 Cb -0.15 -0.61 0.43 0.00 -1.51 0.00 0.00 72.50 70.66 3gac s THR 8 CO -0.04 -0.25 1.43 -0.46 -2.21 0.00 0.00 174.62 173.09 3gac n ASN 9 N 1.33 2.35 -4.69 8.08 0.23 -1.19 -0.05 115.26 121.32 3gac n ASN 9 Ca -0.21 -1.89 -0.39 0.00 -0.53 0.00 0.00 54.58 51.56 3gac n ASN 9 Cb 0.56 -0.22 -0.06 0.00 -2.08 0.00 0.00 39.78 37.98 3gac n ASN 9 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3gac s ILE 10 N -1.56 5.11 -0.26 1.53 1.01 -1.26 -4.80 121.20 120.97 3gac s ILE 10 Ca 0.33 1.05 -0.16 0.00 0.00 0.00 0.00 60.65 61.87 3gac s ILE 10 Cb 0.18 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 3gac s ILE 10 CO 0.25 0.22 0.42 -0.55 0.00 0.00 0.00 174.94 175.28 3gac s SER 11 N 0.96 6.33 0.10 3.58 0.15 -1.26 -4.93 113.70 118.62 3gac s SER 11 Ca 0.27 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.34 3gac s SER 11 Cb -0.16 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 3gac s SER 11 CO 0.11 -0.20 -0.10 0.27 1.20 0.00 0.00 173.24 174.52 3gac s ILE 12 N 2.06 0.91 0.72 6.45 -4.36 -1.26 -5.15 121.20 120.57 3gac s ILE 12 Ca 0.17 -1.65 -0.16 0.00 -0.26 0.00 0.00 60.65 58.75 3gac s ILE 12 Cb -0.16 -1.37 0.02 0.00 1.25 0.00 0.00 42.46 42.20 3gac s ILE 12 CO 0.09 -0.58 1.12 -2.65 0.24 0.00 0.00 174.94 173.16 3gac n PRO 13 N 0.52 0.59 -0.23 0.37 -0.02 -1.26 -4.73 135.00 130.25 3gac n PRO 13 Ca -0.16 0.26 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 3gac n PRO 13 Cb 0.58 -2.37 0.14 0.00 -0.02 0.00 0.00 33.50 31.83 3gac n PRO 13 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gac h ASP 14 N -0.21 0.27 -0.28 2.55 3.32 -2.01 -0.73 116.42 119.33 3gac h ASP 14 Ca -0.48 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 3gac h ASP 14 Cb 1.33 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 3gac h ASP 14 CO 0.48 0.14 0.00 -2.24 -1.72 0.00 0.00 179.24 175.90 3gac h ASP 15 N 0.44 0.58 0.01 6.45 2.03 -1.99 -0.37 116.42 123.57 3gac h ASP 15 Ca 0.35 -0.12 -0.18 0.00 -0.73 0.00 0.00 57.03 56.35 3gac h ASP 15 Cb 0.46 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.81 3gac h ASP 15 CO -0.34 0.65 -0.63 0.11 -1.03 0.00 0.00 179.24 178.00 3gac h LYS 16 N 0.58 0.60 -0.44 4.15 1.79 -1.69 -1.52 116.57 120.03 3gac h LYS 16 Ca 0.12 -0.42 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 3gac h LYS 16 Cb 0.37 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 3gac h LYS 16 CO 0.01 1.04 0.21 0.00 -1.08 0.00 0.00 179.45 179.64 3gac h ALA 17 N 0.86 0.57 -0.46 3.86 0.00 -0.78 -1.45 119.26 121.86 3gac h ALA 17 Ca -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gac h ALA 17 Cb 1.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3gac h ALA 17 CO 0.12 0.14 0.26 1.96 0.00 0.00 0.00 179.25 181.73 3gac h GLN 18 N 0.58 0.51 -0.36 0.00 1.08 -0.98 -1.60 115.11 114.33 3gac h GLN 18 Ca 0.15 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 3gac h GLN 18 Cb 0.12 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 3gac h GLN 18 CO -0.02 0.34 0.15 -0.91 -0.95 0.00 0.00 178.83 177.44 3gac h ASN 19 N 0.52 0.20 -0.31 1.46 2.35 -1.10 -1.76 115.58 116.95 3gac h ASN 19 Ca 0.19 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3gac h ASN 19 Cb 0.04 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3gac h ASN 19 CO -0.10 0.15 0.17 0.00 -1.65 0.00 0.00 177.43 176.01 3gac h ALA 20 N 1.21 0.40 -0.88 -0.83 0.00 -1.03 -2.51 119.26 115.63 3gac h ALA 20 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3gac h ALA 20 Cb 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3gac h ALA 20 CO -0.14 -0.07 0.58 -0.07 0.00 0.00 0.00 179.25 179.55 3gac h LEU 21 N 0.39 1.02 -0.85 0.00 3.38 -1.18 -1.67 115.31 116.40 3gac h LEU 21 Ca 0.11 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3gac h LEU 21 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3gac h LEU 21 CO -0.02 0.74 0.55 -1.28 0.09 0.00 0.00 178.44 178.53 3gac h SER 22 N 1.20 0.93 -0.44 -0.43 0.87 -1.13 0.92 113.55 115.47 3gac h SER 22 Ca 0.32 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 3gac h SER 22 Cb -0.13 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.59 3gac h SER 22 CO -0.07 0.66 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.44 3gac h GLU 23 N 1.10 0.91 -0.51 2.24 5.08 -1.07 -1.83 114.58 120.50 3gac h GLU 23 Ca 0.33 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3gac h GLU 23 Cb -0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3gac h GLU 23 CO -0.10 0.98 0.12 0.82 -1.00 0.00 0.00 179.01 179.83 3gac h ILE 24 N 0.81 1.24 -0.51 3.13 2.04 -0.81 -2.27 117.51 121.15 3gac h ILE 24 Ca 0.13 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.21 3gac h ILE 24 Cb 0.65 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3gac h ILE 24 CO 0.05 0.31 0.15 -0.33 0.00 0.00 0.00 178.15 178.33 3gac h GLU 25 N 0.70 0.30 -0.54 2.37 5.08 -0.65 -0.95 114.58 120.90 3gac h GLU 25 Ca 0.16 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3gac h GLU 25 Cb 0.34 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3gac h GLU 25 CO 0.00 0.20 0.16 -0.44 -1.00 0.00 0.00 179.01 177.93 3gac h ASP 26 N 0.31 0.75 -0.29 1.42 3.32 -1.13 0.22 116.42 121.02 3gac h ASP 26 Ca 0.25 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 3gac h ASP 26 Cb 0.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3gac h ASP 26 CO -0.28 0.71 -0.17 0.00 -1.72 0.00 0.00 179.24 177.78 3gac h ALA 27 N 1.39 0.41 -0.41 3.45 0.00 -0.88 -0.97 119.26 122.25 3gac h ALA 27 Ca 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gac h ALA 27 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gac h ALA 27 CO -0.01 0.31 0.26 0.82 0.00 0.00 0.00 179.25 180.64 3gac h ILE 28 N 0.36 1.08 -0.79 0.00 2.04 -0.87 -1.49 117.51 117.83 3gac h ILE 28 Ca 0.06 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3gac h ILE 28 Cb 0.69 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3gac h ILE 28 CO 0.05 0.10 0.49 -1.28 0.00 0.00 0.00 178.15 177.50 3gac h SER 29 N 0.53 0.94 -0.29 1.72 0.87 -0.88 0.41 113.55 116.85 3gac h SER 29 Ca 0.15 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3gac h SER 29 Cb -0.04 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 3gac h SER 29 CO -0.05 0.72 0.04 -1.13 -0.53 0.00 0.00 176.83 175.88 3gac h ASN 30 N 1.08 0.47 0.03 6.23 -0.73 -0.92 -1.04 115.58 120.70 3gac h ASN 30 Ca 0.28 -0.26 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 3gac h ASN 30 Cb -0.06 -0.13 0.01 0.00 0.27 0.00 0.00 38.32 38.41 3gac h ASN 30 CO -0.06 0.62 -0.20 0.58 -0.37 0.00 0.00 177.43 178.00 3gac h VAL 31 N 0.31 1.71 0.00 2.57 2.07 -1.14 -3.35 116.25 118.43 3gac h VAL 31 Ca 0.09 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3gac h VAL 31 Cb 0.35 3.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3gac h VAL 31 CO 0.01 0.62 -0.32 -0.07 0.02 0.00 0.00 177.57 177.83 3gac h LEU 32 N -0.81 0.00 0.00 2.57 3.38 -1.04 -3.48 115.31 115.92 3gac h LEU 32 Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gac h LEU 32 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3gac h LEU 32 CO 0.04 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3gac n GLY 33 N 1.25 0.53 3.72 0.83 0.00 -0.40 -4.96 105.19 106.17 3gac n GLY 33 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3gac n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gac s LYS 34 N -0.31 4.61 0.56 1.61 -0.14 -1.23 -5.01 119.74 119.83 3gac s LYS 34 Ca 0.00 1.35 -0.20 0.00 -1.36 0.00 0.00 55.97 55.76 3gac s LYS 34 Cb 0.00 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 3gac s LYS 34 CO 0.00 0.13 1.23 -2.14 -0.76 0.00 0.00 175.35 173.81 3gac s PRO 35 N 0.37 3.12 0.47 -1.68 0.02 -1.26 -4.14 135.00 131.89 3gac s PRO 35 Ca 0.47 1.90 0.20 0.00 0.02 0.00 0.00 61.00 63.58 3gac s PRO 35 Cb -0.22 -2.06 1.19 0.00 0.02 0.00 0.00 34.50 33.43 3gac s PRO 35 CO 0.28 -1.11 1.94 0.28 -0.33 0.00 0.00 177.00 178.05 3gac h VAL 36 N 1.13 0.75 -0.12 3.83 2.07 -1.95 0.73 116.25 122.70 3gac h VAL 36 Ca -0.50 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3gac h VAL 36 Cb 1.29 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3gac h VAL 36 CO 0.56 0.05 0.31 0.00 0.02 0.00 0.00 177.57 178.51 3gac h ALA 37 N 1.66 1.54 -0.02 1.67 0.00 -2.01 -0.33 119.26 121.77 3gac h ALA 37 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3gac h ALA 37 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gac h ALA 37 CO -0.08 -0.37 -0.21 0.66 0.00 0.00 0.00 179.25 179.26 3gac n TYR 38 N -3.21 0.00 -3.62 0.00 4.01 0.25 -4.96 117.16 109.63 3gac n TYR 38 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 3gac n TYR 38 Cb 0.40 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.32 3gac n TYR 38 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gac s ILE 39 N -2.05 5.27 -0.03 -0.72 1.01 -0.14 -1.28 121.20 123.27 3gac s ILE 39 Ca 0.21 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 3gac s ILE 39 Cb 0.17 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 3gac s ILE 39 CO 0.39 0.28 0.31 -0.32 0.00 0.00 0.00 174.94 175.60 3gac s MET 40 N 1.59 3.72 0.04 2.79 -2.45 0.16 -4.97 119.30 120.18 3gac s MET 40 Ca 0.07 0.18 -0.01 0.00 -1.25 0.00 0.00 55.69 54.68 3gac s MET 40 Cb -0.15 -3.18 -0.03 0.00 1.25 0.00 0.00 34.83 32.71 3gac s MET 40 CO 0.09 0.71 -0.01 -1.54 1.05 0.00 0.00 175.02 175.32 3gac s SER 41 N -1.16 0.35 -0.08 1.11 1.04 -1.26 -0.34 113.70 113.36 3gac s SER 41 Ca 0.22 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 3gac s SER 41 Cb -0.15 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.17 3gac s SER 41 CO 0.11 -0.48 0.39 0.21 0.98 0.00 0.00 173.24 174.45 3gac s ASN 42 N -2.26 -0.33 -0.37 7.02 2.47 -0.49 -4.95 114.94 116.02 3gac s ASN 42 Ca -0.03 0.46 -0.03 0.00 0.42 0.00 0.00 52.86 53.67 3gac s ASN 42 Cb -0.00 0.55 0.09 0.00 -1.45 0.00 0.00 41.25 40.44 3gac s ASN 42 CO -0.06 -0.33 0.14 -0.47 -3.72 0.00 0.00 177.10 172.66 3gac s TYR 43 N -0.66 3.47 -0.49 0.43 5.04 -1.26 -1.49 117.35 122.39 3gac s TYR 43 Ca -0.08 -2.18 -0.14 0.00 -2.44 0.00 0.00 57.07 52.24 3gac s TYR 43 Cb -0.04 -2.84 0.10 0.00 0.35 0.00 0.00 41.96 39.53 3gac s TYR 43 CO 0.03 -0.90 0.41 0.34 -1.34 0.00 0.00 175.55 174.08 3gac s ASP 44 N 1.63 6.01 -0.26 4.32 -1.08 0.35 -5.03 116.67 122.62 3gac s ASP 44 Ca 0.04 -1.63 -0.29 0.00 -0.52 0.00 0.00 52.55 50.15 3gac s ASP 44 Cb -0.22 -2.14 -0.01 0.00 -1.46 0.00 0.00 42.92 39.10 3gac s ASP 44 CO -0.03 -0.72 1.42 -0.47 0.52 0.00 0.00 175.17 175.89 3gac s TYR 45 N 1.55 2.47 -0.44 -5.34 5.04 -1.26 -1.89 117.35 117.47 3gac s TYR 45 Ca 0.04 0.75 0.03 0.00 -2.44 0.00 0.00 57.07 55.44 3gac s TYR 45 Cb -0.27 -3.91 0.13 0.00 0.35 0.00 0.00 41.96 38.26 3gac s TYR 45 CO 0.03 -2.20 0.21 -0.65 -1.34 0.00 0.00 175.55 171.61 3gac s GLN 46 N 4.30 1.51 0.60 4.97 -1.52 0.92 -4.96 119.66 125.48 3gac s GLN 46 Ca 0.62 -2.13 0.32 0.00 -1.95 0.00 0.00 55.36 52.22 3gac s GLN 46 Cb -0.20 -2.76 1.92 0.00 -0.22 0.00 0.00 33.01 31.75 3gac s GLN 46 CO 0.25 -1.10 2.27 1.57 -0.25 0.00 0.00 175.29 178.03 3gac h LYS 47 N 6.87 0.00 -0.54 2.91 2.10 -1.87 -1.40 116.57 124.64 3gac h LYS 47 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3gac h LYS 47 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 3gac h LYS 47 CO 0.56 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.10 3gac n ASN 48 N -3.73 4.09 -4.73 7.07 3.02 -1.26 -4.91 115.26 114.81 3gac n ASN 48 Ca -0.03 -2.34 -0.42 0.00 -0.03 0.00 0.00 54.58 51.76 3gac n ASN 48 Cb 0.08 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3gac n ASN 48 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gac s LEU 49 N -1.64 4.36 0.11 3.41 2.96 -0.53 -4.98 118.68 122.38 3gac s LEU 49 Ca 0.43 2.87 0.09 0.00 -0.22 0.00 0.00 54.13 57.30 3gac s LEU 49 Cb 0.27 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 3gac s LEU 49 CO 0.22 -0.95 -0.22 -0.13 -1.32 0.00 0.00 176.35 173.96 3gac s ARG 50 N 0.70 1.17 -0.10 1.98 0.52 -1.26 -4.50 118.95 117.46 3gac s ARG 50 Ca 0.71 -1.20 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 3gac s ARG 50 Cb -0.49 -1.45 0.03 0.00 0.52 0.00 0.00 34.95 33.56 3gac s ARG 50 CO 0.36 0.34 0.34 0.12 0.02 0.00 0.00 175.30 176.48 3gac s PHE 51 N -1.20 -0.33 -1.41 -0.53 2.19 -0.26 -4.90 117.98 111.54 3gac s PHE 51 Ca 0.08 0.75 -0.13 0.00 0.33 0.00 0.00 56.93 57.97 3gac s PHE 51 Cb -0.10 0.12 0.10 0.00 -1.31 0.00 0.00 43.02 41.83 3gac s PHE 51 CO 0.05 -0.24 0.62 -1.13 1.83 0.00 0.00 175.22 176.34 3gac n SER 52 N 2.46 -3.65 0.00 6.13 3.41 -1.26 -2.04 113.62 118.67 3gac n SER 52 Ca -0.15 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 3gac n SER 52 Cb 0.57 -3.00 0.00 0.00 -0.26 0.00 0.00 64.21 61.52 3gac n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gac n GLY 53 N -1.27 0.67 3.15 5.00 0.00 -1.26 -5.03 105.19 106.44 3gac n GLY 53 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3gac n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gac s SER 54 N -2.21 0.34 -0.02 1.61 1.04 -0.86 -5.03 113.70 108.57 3gac s SER 54 Ca 0.00 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.53 3gac s SER 54 Cb 0.00 0.27 0.26 0.00 0.10 0.00 0.00 66.02 66.65 3gac s SER 54 CO 0.00 -0.68 1.16 -3.20 0.98 0.00 0.00 173.24 171.50 3gac n ASN 55 N -0.00 1.72 -4.71 7.02 4.05 -1.26 -1.10 115.26 120.97 3gac n ASN 55 Ca -0.11 -2.06 -0.35 0.00 0.45 0.00 0.00 54.58 52.50 3gac n ASN 55 Cb 0.62 -0.25 0.10 0.00 1.23 0.00 0.00 39.78 41.47 3gac n ASN 55 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3gac n GLU 56 N 0.30 0.72 -1.64 1.20 -0.58 -1.26 -4.84 120.64 114.54 3gac n GLU 56 Ca 0.10 0.31 -0.61 0.00 -0.42 0.00 0.00 57.16 56.54 3gac n GLU 56 Cb 0.30 -2.50 -0.08 0.00 -0.57 0.00 0.00 31.44 28.59 3gac n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gac n GLY 57 N 0.76 0.21 3.42 0.62 0.00 -1.26 -4.77 105.19 104.17 3gac n GLY 57 Ca 0.15 0.86 -0.15 0.00 0.00 0.00 0.00 46.02 46.88 3gac n GLY 57 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gac s TYR 58 N 1.71 -0.51 -0.04 1.61 5.04 -1.26 -4.71 117.35 119.19 3gac s TYR 58 Ca 0.96 1.01 0.03 0.00 -2.44 0.00 0.00 57.07 56.63 3gac s TYR 58 Cb -1.26 0.26 0.00 0.00 0.35 0.00 0.00 41.96 41.31 3gac s TYR 58 CO 0.65 -0.44 -0.13 0.00 -1.34 0.00 0.00 175.55 174.28 3gac s PHE 60 N 0.23 2.56 -0.12 0.00 5.36 0.40 -1.32 117.98 125.09 3gac s PHE 60 Ca -0.06 -1.01 0.03 0.00 -0.96 0.00 0.00 56.93 54.93 3gac s PHE 60 Cb -0.11 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 40.86 3gac s PHE 60 CO 0.02 -0.40 -0.23 0.08 -1.46 0.00 0.00 175.22 173.23 3gac s VAL 61 N 0.31 2.09 -0.27 3.12 1.01 -0.08 0.14 120.40 126.72 3gac s VAL 61 Ca -0.18 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 3gac s VAL 61 Cb -0.18 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3gac s VAL 61 CO 0.09 0.55 0.03 -0.60 0.00 0.00 0.00 175.10 175.17 3gac s ARG 62 N 0.62 3.12 -0.29 2.72 3.52 0.10 -0.14 118.95 128.60 3gac s ARG 62 Ca -0.12 -0.82 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 3gac s ARG 62 Cb -0.17 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3gac s ARG 62 CO 0.03 -0.38 0.06 -1.17 -0.81 0.00 0.00 175.30 173.02 3gac s LEU 63 N 1.47 3.79 -0.16 -0.88 2.96 0.17 -0.79 118.68 125.24 3gac s LEU 63 Ca 0.03 -0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 53.09 3gac s LEU 63 Cb -0.16 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3gac s LEU 63 CO 0.00 -0.20 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.93 3gac s THR 64 N 1.45 4.11 0.01 3.68 2.01 0.27 -0.45 115.64 126.71 3gac s THR 64 Ca 0.01 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 3gac s THR 64 Cb -0.17 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 3gac s THR 64 CO 0.01 0.49 0.04 -0.55 -0.69 0.00 0.00 174.62 173.93 3gac s SER 65 N 0.27 0.12 -1.00 3.53 0.15 -0.18 -0.23 113.70 116.37 3gac s SER 65 Ca -0.01 -0.31 -0.22 0.00 0.70 0.00 0.00 55.95 56.10 3gac s SER 65 Cb -0.14 0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.38 3gac s SER 65 CO 0.02 -0.29 1.38 -0.63 1.20 0.00 0.00 173.24 174.93 3gac s ILE 66 N -1.22 4.08 0.00 6.45 1.01 -1.26 -1.53 121.20 128.72 3gac s ILE 66 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.62 3gac s ILE 66 Cb -0.08 -5.00 0.00 0.00 0.01 0.00 0.00 42.46 37.39 3gac s ILE 66 CO 0.00 -1.85 0.00 0.61 0.00 0.00 0.00 174.94 173.70 3gac n GLY 67 N 6.58 -1.64 2.11 6.18 0.00 -1.25 -4.97 105.19 112.20 3gac n GLY 67 Ca 0.31 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3gac n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gac n GLY 68 N -1.96 0.67 3.48 -0.02 0.00 -1.26 -4.97 105.19 101.12 3gac n GLY 68 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3gac n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gac s ILE 69 N -2.56 4.92 0.18 -0.61 -1.09 -1.26 -4.67 121.20 116.11 3gac s ILE 69 Ca 0.00 -0.28 -0.24 0.00 -2.23 0.00 0.00 60.65 57.91 3gac s ILE 69 Cb 0.00 -4.20 0.05 0.00 -1.58 0.00 0.00 42.46 36.73 3gac s ILE 69 CO 0.00 -0.64 0.82 0.54 -1.23 0.00 0.00 174.94 174.43 3gac s ASN 70 N 2.24 -0.28 0.15 3.58 2.20 -1.26 -5.03 114.94 116.55 3gac s ASN 70 Ca 0.16 -0.39 -0.21 0.00 -0.94 0.00 0.00 52.86 51.48 3gac s ASN 70 Cb -0.17 0.58 0.03 0.00 -2.00 0.00 0.00 41.25 39.70 3gac s ASN 70 CO 0.14 -1.05 1.64 -0.09 -2.94 0.00 0.00 177.10 174.81 3gac h ARG 71 N 2.00 -0.19 -0.07 3.55 2.43 -1.98 0.86 114.38 120.98 3gac h ARG 71 Ca -0.23 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3gac h ARG 71 Cb 1.25 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3gac h ARG 71 CO 0.27 -0.13 0.03 1.03 -1.51 0.00 0.00 179.97 179.66 3gac h SER 72 N -0.20 0.09 -0.30 -3.80 0.87 -1.98 -0.38 113.55 107.85 3gac h SER 72 Ca 0.14 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 3gac h SER 72 Cb 0.41 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3gac h SER 72 CO -0.37 0.20 0.05 0.78 -0.53 0.00 0.00 176.83 176.96 3gac h ASN 73 N -0.03 0.48 -0.46 6.23 2.35 -1.81 -2.13 115.58 120.22 3gac h ASN 73 Ca 0.02 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3gac h ASN 73 Cb 0.13 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3gac h ASN 73 CO -0.00 0.62 0.29 0.78 -1.65 0.00 0.00 177.43 177.47 3gac h ASN 74 N 0.32 0.49 -0.28 5.81 4.21 -0.75 -1.04 115.58 124.34 3gac h ASN 74 Ca 0.09 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.60 3gac h ASN 74 Cb 0.34 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 3gac h ASN 74 CO 0.01 0.35 0.18 -1.28 -1.29 0.00 0.00 177.43 175.40 3gac h SER 75 N 0.59 0.33 -0.44 5.81 0.87 -1.05 0.48 113.55 120.13 3gac h SER 75 Ca 0.17 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3gac h SER 75 Cb -0.04 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3gac h SER 75 CO -0.05 0.26 0.13 -1.28 -0.53 0.00 0.00 176.83 175.36 3gac h SER 76 N 0.37 0.65 -0.10 6.23 0.87 -1.13 -2.29 113.55 118.15 3gac h SER 76 Ca 0.10 -0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.30 3gac h SER 76 Cb -0.02 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3gac h SER 76 CO -0.02 0.69 -0.48 -0.07 -0.53 0.00 0.00 176.83 176.42 3gac h LEU 77 N 0.58 0.72 -0.49 2.23 3.38 -1.14 -1.38 115.31 119.20 3gac h LEU 77 Ca 0.14 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3gac h LEU 77 Cb 0.28 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3gac h LEU 77 CO -0.00 1.08 0.09 0.00 0.09 0.00 0.00 178.44 179.70 3gac h ALA 78 N 0.94 0.55 0.25 1.53 0.00 -0.80 0.16 119.26 121.89 3gac h ALA 78 Ca 0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gac h ALA 78 Cb 1.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gac h ALA 78 CO 0.10 -0.31 -0.12 0.22 0.00 0.00 0.00 179.25 179.13 3gac h ASP 79 N 0.23 -0.28 -0.20 0.00 3.58 -1.27 -2.47 116.42 116.00 3gac h ASP 79 Ca 0.25 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3gac h ASP 79 Cb 0.33 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 3gac h ASP 79 CO -0.33 -0.07 0.09 0.11 -2.88 0.00 0.00 179.24 176.17 3gac h LYS 80 N -0.49 0.29 -0.40 0.28 1.57 -1.00 -2.42 116.57 114.38 3gac h LYS 80 Ca -0.03 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3gac h LYS 80 Cb 0.37 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3gac h LYS 80 CO 0.06 0.32 -0.16 0.82 -0.57 0.00 0.00 179.45 179.92 3gac h ILE 81 N 0.19 1.28 -0.83 1.86 2.04 -0.77 -2.03 117.51 119.24 3gac h ILE 81 Ca 0.07 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 3gac h ILE 81 Cb 0.13 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3gac h ILE 81 CO -0.01 0.43 0.48 0.74 0.00 0.00 0.00 178.15 179.79 3gac h THR 82 N 0.63 1.24 -0.49 -0.27 2.02 -1.42 -1.00 112.91 113.61 3gac h THR 82 Ca 0.09 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 3gac h THR 82 Cb 0.70 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3gac h THR 82 CO 0.05 0.26 0.18 0.50 0.37 0.00 0.00 175.52 176.88 3gac h LYS 83 N 1.15 0.75 -0.41 6.66 3.64 -1.31 -0.79 116.57 126.25 3gac h LYS 83 Ca 0.30 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3gac h LYS 83 Cb -0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3gac h LYS 83 CO -0.05 0.68 0.25 0.82 -2.27 0.00 0.00 179.45 178.88 3gac h ILE 84 N 0.66 1.12 -0.41 2.00 2.04 -0.99 -0.36 117.51 121.57 3gac h ILE 84 Ca 0.16 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3gac h ILE 84 Cb 0.22 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3gac h ILE 84 CO -0.01 0.12 0.15 -0.07 0.00 0.00 0.00 178.15 178.34 3gac h LEU 85 N 0.54 0.58 -0.40 1.44 3.38 -1.06 0.99 115.31 120.78 3gac h LEU 85 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gac h LEU 85 Cb -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3gac h LEU 85 CO -0.03 0.61 0.24 -1.28 0.09 0.00 0.00 178.44 178.07 3gac h SER 86 N 0.52 0.49 -0.03 -0.43 0.87 -1.02 0.15 113.55 114.10 3gac h SER 86 Ca 0.13 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gac h SER 86 Cb 0.22 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3gac h SER 86 CO -0.01 0.40 0.01 0.78 -0.53 0.00 0.00 176.83 177.48 3gac h ASN 87 N 0.53 0.04 0.53 6.23 2.35 -0.85 -1.83 115.58 122.58 3gac h ASN 87 Ca 0.14 -0.23 -0.29 0.00 -0.55 0.00 0.00 56.30 55.37 3gac h ASN 87 Cb 0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gac h ASN 87 CO -0.03 0.26 -1.41 0.45 -1.65 0.00 0.00 177.43 175.05 3gac h HIS 88 N -0.18 0.46 0.00 1.19 3.86 -0.78 -3.38 115.15 116.32 3gac h HIS 88 Ca 0.01 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 3gac h HIS 88 Cb 0.23 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3gac h HIS 88 CO 0.00 1.33 -1.30 1.28 0.86 0.00 0.00 177.93 180.10 3gac n LEU 89 N -3.47 0.27 0.00 2.43 4.32 0.53 -5.00 117.00 116.07 3gac n LEU 89 Ca -0.13 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 3gac n LEU 89 Cb 1.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.83 3gac n LEU 89 CO 0.52 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.36 3gac n GLY 90 N 1.53 0.46 3.77 -0.72 0.00 -0.69 -5.00 105.19 104.53 3gac n GLY 90 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3gac n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gac s VAL 91 N -1.95 2.68 0.25 1.61 0.11 -1.25 -4.98 120.40 116.86 3gac s VAL 91 Ca 0.00 0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 59.32 3gac s VAL 91 Cb 0.00 -3.32 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 3gac s VAL 91 CO 0.00 0.05 1.06 -0.54 -3.33 0.00 0.00 175.10 172.34 3gac s LYS 92 N -2.43 4.69 0.40 1.54 -0.14 -1.26 -4.21 119.74 118.32 3gac s LYS 92 Ca 0.60 1.71 0.16 0.00 -1.36 0.00 0.00 55.97 57.08 3gac s LYS 92 Cb -0.36 -3.23 1.02 0.00 -1.68 0.00 0.00 37.83 33.59 3gac s LYS 92 CO 0.45 0.26 1.83 -1.35 -0.76 0.00 0.00 175.35 175.78 3gac h PRO 93 N 4.15 0.46 0.00 -1.68 0.11 -1.95 0.76 132.00 133.85 3gac h PRO 93 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gac h PRO 93 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gac h PRO 93 CO 0.68 0.30 0.00 2.89 -0.21 0.00 0.00 178.00 181.66 3gac n ARG 94 N -4.56 0.09 -2.04 1.05 1.85 -1.26 -1.81 116.66 109.98 3gac n ARG 94 Ca 0.21 0.24 -0.25 0.00 -1.00 0.00 0.00 57.85 57.04 3gac n ARG 94 Cb 0.70 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.63 3gac n ARG 94 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3gac n ARG 95 N -1.37 3.51 -3.89 2.89 1.74 0.26 -4.95 116.66 114.86 3gac n ARG 95 Ca 0.04 -4.15 -0.27 0.00 -0.77 0.00 0.00 57.85 52.70 3gac n ARG 95 Cb 0.10 -2.28 -0.17 0.00 -1.02 0.00 0.00 32.46 29.10 3gac n ARG 95 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gac s VAL 96 N -4.77 1.04 -0.11 1.55 1.01 -0.75 -1.11 120.40 117.26 3gac s VAL 96 Ca 0.52 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3gac s VAL 96 Cb 0.42 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3gac s VAL 96 CO -0.00 0.22 0.01 -0.31 0.00 0.00 0.00 175.10 175.02 3gac s TYR 97 N 1.68 3.18 -0.08 5.22 1.51 -0.43 -5.01 117.35 123.41 3gac s TYR 97 Ca 0.03 0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 3gac s TYR 97 Cb -0.14 -1.86 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3gac s TYR 97 CO -0.08 0.38 -0.08 0.42 -1.11 0.00 0.00 175.55 175.08 3gac s ILE 98 N -0.57 0.91 -0.14 2.71 1.01 -1.26 -0.90 121.20 122.97 3gac s ILE 98 Ca 0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 3gac s ILE 98 Cb -0.12 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3gac s ILE 98 CO 0.02 0.33 0.03 -0.70 0.00 0.00 0.00 174.94 174.62 3gac s GLU 99 N 1.31 3.51 -0.16 2.79 2.12 0.81 -4.98 118.70 124.11 3gac s GLU 99 Ca -0.03 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 3gac s GLU 99 Cb -0.14 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 3gac s GLU 99 CO -0.03 0.47 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.05 3gac s PHE 100 N -0.21 3.01 -0.08 5.30 0.08 -1.26 -0.65 117.98 124.17 3gac s PHE 100 Ca 0.06 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.80 3gac s PHE 100 Cb -0.12 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3gac s PHE 100 CO 0.02 -0.06 -0.13 1.03 -0.10 0.00 0.00 175.22 175.98 3gac s ARG 101 N 0.39 1.84 0.14 0.44 1.81 0.40 -4.97 118.95 119.00 3gac s ARG 101 Ca -0.04 -0.45 -0.09 0.00 -1.72 0.00 0.00 55.73 53.43 3gac s ARG 101 Cb -0.14 -1.53 -0.06 0.00 -0.45 0.00 0.00 34.95 32.76 3gac s ARG 101 CO 0.03 0.01 0.44 0.34 -0.68 0.00 0.00 175.30 175.44 3gac s ASP 102 N 0.75 6.61 -0.00 0.23 2.15 -1.26 -1.01 116.67 124.13 3gac s ASP 102 Ca -0.13 0.78 -0.00 0.00 0.43 0.00 0.00 52.55 53.63 3gac s ASP 102 Cb -0.16 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3gac s ASP 102 CO 0.03 0.07 0.01 0.00 -0.17 0.00 0.00 175.17 175.11 3gac s SER 104 N 0.03 6.64 0.38 0.00 1.04 -1.26 -3.97 113.70 116.56 3gac s SER 104 Ca -0.00 1.90 0.06 0.00 0.48 0.00 0.00 55.95 58.39 3gac s SER 104 Cb -0.00 -2.56 0.77 0.00 0.10 0.00 0.00 66.02 64.32 3gac s SER 104 CO -0.00 -0.57 2.01 0.00 0.98 0.00 0.00 173.24 175.66 3gac h ALA 105 N 1.98 1.67 0.00 5.32 0.00 -1.92 -0.88 119.26 125.44 3gac h ALA 105 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gac h ALA 105 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3gac h ALA 105 CO 0.61 0.27 0.00 0.37 0.00 0.00 0.00 179.25 180.50 3gac h GLN 106 N 0.70 0.00 -0.53 0.00 4.15 -1.93 -2.77 115.11 114.72 3gac h GLN 106 Ca 0.23 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.47 3gac h GLN 106 Cb 0.04 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.63 3gac h GLN 106 CO -0.06 0.00 0.14 0.09 -1.93 0.00 0.00 178.83 177.07 3gac n ASN 107 N -2.73 3.86 -3.71 -0.69 3.02 -0.34 -4.93 115.26 109.74 3gac n ASN 107 Ca 0.00 -3.35 -0.12 0.00 -0.03 0.00 0.00 54.58 51.08 3gac n ASN 107 Cb 0.21 -0.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.59 3gac n ASN 107 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gac s PHE 108 N -3.05 -0.44 0.12 3.10 5.36 -1.05 -4.88 117.98 117.15 3gac s PHE 108 Ca 0.49 0.98 0.10 0.00 -0.96 0.00 0.00 56.93 57.54 3gac s PHE 108 Cb 0.41 0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 43.18 3gac s PHE 108 CO 0.08 -0.28 -0.25 0.00 -1.46 0.00 0.00 175.22 173.32 3gac s ALA 109 N 1.33 2.45 -0.02 11.12 0.00 -1.26 -0.89 121.76 134.50 3gac s ALA 109 Ca -0.09 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.44 3gac s ALA 109 Cb -0.10 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3gac s ALA 109 CO -0.10 0.55 0.04 0.12 0.00 0.00 0.00 175.76 176.37 3gac s PHE 110 N -1.06 -0.00 -1.41 0.00 2.19 -0.08 -4.86 117.98 112.76 3gac s PHE 110 Ca 0.15 0.14 -0.06 0.00 0.33 0.00 0.00 56.93 57.49 3gac s PHE 110 Cb -0.10 -0.17 0.03 0.00 -1.31 0.00 0.00 43.02 41.47 3gac s PHE 110 CO 0.07 -0.08 0.48 0.45 1.83 0.00 0.00 175.22 177.97 3gac n SER 111 N 3.93 -4.94 0.00 6.13 2.88 -1.26 -2.15 113.62 118.22 3gac n SER 111 Ca -0.24 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 3gac n SER 111 Cb 0.52 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.95 3gac n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gac n GLY 112 N -1.30 0.78 3.16 0.46 0.00 -1.26 -5.03 105.19 101.99 3gac n GLY 112 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 3gac n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gac s SER 113 N -2.56 1.85 0.39 1.61 0.01 -0.91 -5.11 113.70 108.98 3gac s SER 113 Ca 0.00 -0.43 -0.27 0.00 1.31 0.00 0.00 55.95 56.56 3gac s SER 113 Cb 0.00 -0.15 -0.10 0.00 0.21 0.00 0.00 66.02 65.99 3gac s SER 113 CO 0.00 0.09 1.39 -0.76 0.41 0.00 0.00 173.24 174.37 3gac s LEU 114 N -0.98 4.26 0.80 2.44 1.43 -1.26 -0.90 118.68 124.47 3gac s LEU 114 Ca 0.04 2.85 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 3gac s LEU 114 Cb -0.08 -3.79 0.08 0.00 0.03 0.00 0.00 46.19 42.43 3gac s LEU 114 CO 0.01 -0.88 1.11 -0.36 0.23 0.00 0.00 176.35 176.47 3gac s PHE 115 N -1.18 2.28 0.00 0.29 2.99 -0.06 -4.86 117.98 117.43 3gac s PHE 115 Ca 0.55 1.63 0.00 0.00 0.00 0.00 0.00 56.93 59.11 3gac s PHE 115 Cb -0.42 -3.16 0.00 0.00 0.00 0.00 0.00 43.02 39.44 3gac s PHE 115 CO 0.56 -2.12 0.00 0.41 -0.00 0.00 0.00 175.22 174.07 3gac n GLY 116 N -0.68 -0.58 0.33 4.36 0.00 -1.26 -4.14 105.19 103.22 3gac n GLY 116 Ca 0.10 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 3gac n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gac n LEU 117 N -0.74 1.62 0.00 0.99 4.77 -1.26 -5.08 117.00 117.30 3gac n LEU 117 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3gac n LEU 117 Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 3gac n LEU 117 CO 0.00 0.04 0.00 1.21 -1.33 0.00 0.00 177.39 177.31