#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 1.03 3.28 -0.23 0.00 2.02 0.07 -1.34 118.70 123.53 3gac s GLU 5 Ca 0.01 -0.73 -0.10 0.00 0.02 0.00 0.00 54.97 54.17 3gac s GLU 5 Cb -0.20 -3.89 -0.05 0.00 0.10 0.00 0.00 34.13 30.10 3gac s GLU 5 CO -0.06 -0.63 0.15 -1.17 0.02 0.00 0.00 175.26 173.57 3gac s LEU 6 N 1.85 4.10 -0.14 1.80 2.96 -0.04 -0.92 118.68 128.29 3gac s LEU 6 Ca 0.08 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3gac s LEU 6 Cb -0.18 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.43 3gac s LEU 6 CO 0.11 0.09 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.39 3gac s ILE 7 N 0.93 2.00 -0.02 6.68 1.01 0.34 0.14 121.20 132.28 3gac s ILE 7 Ca 0.07 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 3gac s ILE 7 Cb -0.13 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.59 3gac s ILE 7 CO 0.03 0.54 0.38 0.28 0.00 0.00 0.00 174.94 176.17 3gac s THR 8 N 0.89 0.05 -1.72 2.92 -1.32 -0.83 -0.60 115.64 115.04 3gac s THR 8 Ca -0.05 -0.38 0.14 0.00 -1.21 0.00 0.00 61.69 60.18 3gac s THR 8 Cb -0.15 -0.68 0.44 0.00 -1.51 0.00 0.00 72.50 70.60 3gac s THR 8 CO -0.03 -0.21 1.34 -0.46 -2.21 0.00 0.00 174.62 173.05 3gac n ASN 9 N 1.25 2.83 -4.64 8.08 0.23 -1.17 -0.14 115.26 121.70 3gac n ASN 9 Ca -0.21 -2.11 -0.38 0.00 -0.53 0.00 0.00 54.58 51.34 3gac n ASN 9 Cb 0.56 -0.38 -0.09 0.00 -2.08 0.00 0.00 39.78 37.80 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 -1.51 5.22 -0.25 1.53 1.01 -1.26 -4.81 121.20 121.13 3gac s ILE 10 Ca 0.32 0.53 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 3gac s ILE 10 Cb 0.18 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 3gac s ILE 10 CO 0.19 0.22 0.57 -0.55 0.00 0.00 0.00 174.94 175.38 3gac s SER 11 N 1.34 6.52 0.08 3.58 0.15 -1.26 -4.93 113.70 119.19 3gac s SER 11 Ca 0.15 0.63 0.03 0.00 0.70 0.00 0.00 55.95 57.46 3gac s SER 11 Cb -0.15 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 3gac s SER 11 CO 0.08 -0.32 -0.09 0.27 1.20 0.00 0.00 173.24 174.39 3gac s ILE 12 N 2.33 0.82 0.78 6.45 -4.36 -1.26 -5.15 121.20 120.81 3gac s ILE 12 Ca 0.24 -1.55 -0.14 0.00 -0.26 0.00 0.00 60.65 58.94 3gac s ILE 12 Cb -0.16 -1.24 0.07 0.00 1.25 0.00 0.00 42.46 42.39 3gac s ILE 12 CO 0.09 -0.55 1.21 -2.84 0.24 0.00 0.00 174.94 173.08 3gac s PRO 13 N -2.64 1.79 0.25 0.37 0.02 -1.26 -4.66 135.00 128.88 3gac s PRO 13 Ca 0.03 1.77 -0.02 0.00 0.02 0.00 0.00 61.00 62.79 3gac s PRO 13 Cb -0.03 -1.79 0.49 0.00 0.02 0.00 0.00 34.50 33.18 3gac s PRO 13 CO -0.01 -2.10 1.76 -0.44 -0.33 0.00 0.00 177.00 175.88 3gac h ASP 14 N -0.71 0.45 -0.76 2.53 3.32 -2.01 0.34 116.42 119.59 3gac h ASP 14 Ca -0.47 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 3gac h ASP 14 Cb 1.30 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 3gac h ASP 14 CO 0.47 0.19 0.33 -2.24 -1.72 0.00 0.00 179.24 176.28 3gac h ASP 15 N 0.57 1.02 -0.04 6.45 2.03 -1.99 -0.84 116.42 123.62 3gac h ASP 15 Ca 0.44 -0.16 -0.18 0.00 -0.73 0.00 0.00 57.03 56.40 3gac h ASP 15 Cb 0.61 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3gac h ASP 15 CO -0.36 0.90 -0.62 0.11 -1.03 0.00 0.00 179.24 178.23 3gac h LYS 16 N 1.08 0.66 -0.03 4.15 1.57 -1.63 -1.78 116.57 120.58 3gac h LYS 16 Ca 0.26 -0.45 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3gac h LYS 16 Cb 0.17 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3gac h LYS 16 CO -0.03 1.07 -0.05 0.00 -0.57 0.00 0.00 179.45 179.88 3gac h ALA 17 N 0.82 -0.02 0.00 3.86 0.00 -0.73 -1.98 119.26 121.22 3gac h ALA 17 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3gac h ALA 17 Cb 1.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3gac h ALA 17 CO 0.12 -0.53 -0.38 1.96 0.00 0.00 0.00 179.25 180.42 3gac h GLN 18 N -0.07 0.00 -0.32 0.00 4.20 -1.12 -1.94 115.11 115.86 3gac h GLN 18 Ca 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3gac h GLN 18 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3gac h GLN 18 CO -0.07 0.38 0.12 -0.97 -0.67 0.00 0.00 178.83 177.62 3gac h ASN 19 N 0.00 0.46 -0.61 1.46 -1.24 -1.11 0.40 115.58 114.93 3gac h ASN 19 Ca -0.00 -0.18 0.03 0.00 0.71 0.00 0.00 56.30 56.85 3gac h ASN 19 Cb 0.68 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 3gac h ASN 19 CO 0.05 0.51 0.38 0.00 -1.29 0.00 0.00 177.43 177.08 3gac h ALA 20 N 0.96 0.79 -0.74 1.57 0.00 -1.01 -1.77 119.26 119.06 3gac h ALA 20 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gac h ALA 20 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3gac h ALA 20 CO -0.01 0.12 0.37 -0.07 0.00 0.00 0.00 179.25 179.67 3gac h LEU 21 N 0.75 0.96 -0.69 0.00 3.38 -1.22 -1.81 115.31 116.67 3gac h LEU 21 Ca 0.25 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3gac h LEU 21 Cb 0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3gac h LEU 21 CO -0.10 0.81 0.40 -1.28 0.09 0.00 0.00 178.44 178.36 3gac h SER 22 N 1.04 0.61 -0.52 -0.43 0.87 -0.45 0.17 113.55 114.84 3gac h SER 22 Ca 0.26 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 3gac h SER 22 Cb 0.09 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3gac h SER 22 CO -0.04 0.40 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.24 3gac h GLU 23 N 0.74 0.99 -0.31 2.24 4.39 -1.04 -1.77 114.58 119.83 3gac h GLU 23 Ca 0.31 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3gac h GLU 23 Cb 0.16 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3gac h GLU 23 CO -0.17 1.03 0.13 0.82 -1.16 0.00 0.00 179.01 179.66 3gac h ILE 24 N 0.89 1.17 -0.59 3.13 2.04 -0.82 -1.71 117.51 121.62 3gac h ILE 24 Ca 0.14 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.57 3gac h ILE 24 Cb 0.64 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3gac h ILE 24 CO 0.04 0.18 0.25 -0.33 0.00 0.00 0.00 178.15 178.29 3gac h GLU 25 N 0.36 0.44 -0.55 2.37 5.08 -0.52 0.09 114.58 121.85 3gac h GLU 25 Ca 0.10 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3gac h GLU 25 Cb 0.16 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3gac h GLU 25 CO -0.01 0.29 0.31 -0.44 -1.00 0.00 0.00 179.01 178.16 3gac h ASP 26 N 0.46 0.48 -0.18 1.42 5.19 -1.13 0.24 116.42 122.89 3gac h ASP 26 Ca 0.29 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3gac h ASP 26 Cb 0.30 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 3gac h ASP 26 CO -0.26 0.33 0.10 0.00 -3.12 0.00 0.00 179.24 176.29 3gac h ALA 27 N 1.27 0.24 -0.16 3.45 0.00 -0.39 -1.47 119.26 122.19 3gac h ALA 27 Ca 0.23 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3gac h ALA 27 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gac h ALA 27 CO -0.13 -0.23 0.03 0.82 0.00 0.00 0.00 179.25 179.75 3gac h ILE 28 N 0.19 0.93 -0.51 0.00 2.04 -0.76 -1.04 117.51 118.38 3gac h ILE 28 Ca 0.06 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3gac h ILE 28 Cb 0.07 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3gac h ILE 28 CO -0.01 0.02 0.20 -1.28 0.00 0.00 0.00 178.15 177.07 3gac h SER 29 N 0.10 0.22 0.53 1.72 0.87 -0.83 -0.27 113.55 115.89 3gac h SER 29 Ca 0.07 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3gac h SER 29 Cb 0.06 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3gac h SER 29 CO -0.09 0.15 -0.25 0.78 -0.53 0.00 0.00 176.83 176.89 3gac h ASN 30 N 0.38 -0.60 -0.22 6.23 2.35 -0.98 -1.40 115.58 121.34 3gac h ASN 30 Ca 0.24 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3gac h ASN 30 Cb 0.25 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3gac h ASN 30 CO -0.23 -0.31 0.04 0.58 -1.65 0.00 0.00 177.43 175.86 3gac h VAL 31 N -0.89 1.22 0.00 2.81 2.07 -1.10 -3.13 116.25 117.24 3gac h VAL 31 Ca -0.07 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3gac h VAL 31 Cb 0.61 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3gac h VAL 31 CO 0.12 0.23 -0.12 0.18 0.02 0.00 0.00 177.57 178.00 3gac n LEU 32 N -4.72 0.75 -2.59 2.57 4.77 -0.12 -4.93 117.00 112.73 3gac n LEU 32 Ca -0.04 0.50 -0.17 0.00 -0.03 0.00 0.00 56.01 56.27 3gac n LEU 32 Cb 0.19 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3gac n LEU 32 CO 0.36 -0.14 0.12 0.61 -1.33 0.00 0.00 177.39 177.01 3gac n GLY 33 N 1.33 -0.16 3.36 -0.72 0.00 -0.56 -4.99 105.19 103.45 3gac n GLY 33 Ca 0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.76 2.27 0.55 1.61 1.02 -1.01 -5.05 119.74 113.37 3gac s LYS 34 Ca 0.36 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 55.28 3gac s LYS 34 Cb -0.16 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 3gac s LYS 34 CO 0.44 0.57 1.28 -2.14 -0.92 0.00 0.00 175.35 174.57 3gac s PRO 35 N -0.61 3.17 0.51 -1.68 0.02 -1.26 -4.32 135.00 130.82 3gac s PRO 35 Ca 0.10 2.03 0.29 0.00 0.02 0.00 0.00 61.00 63.43 3gac s PRO 35 Cb -0.10 -2.17 1.40 0.00 0.02 0.00 0.00 34.50 33.65 3gac s PRO 35 CO -0.00 -1.10 1.88 0.28 -0.33 0.00 0.00 177.00 177.72 3gac h VAL 36 N 1.31 0.57 -0.35 3.83 2.07 -1.94 -1.18 116.25 120.56 3gac h VAL 36 Ca -0.50 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.09 3gac h VAL 36 Cb 1.29 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3gac h VAL 36 CO 0.57 0.01 0.46 0.00 0.02 0.00 0.00 177.57 178.63 3gac h ALA 37 N 1.57 1.99 -0.06 1.67 0.00 -2.02 -0.43 119.26 121.98 3gac h ALA 37 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gac h ALA 37 Cb 1.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3gac h ALA 37 CO -0.05 -0.64 0.00 0.66 0.00 0.00 0.00 179.25 179.23 3gac n TYR 38 N -3.51 0.04 -3.53 0.00 4.01 -0.45 -4.96 117.16 108.76 3gac n TYR 38 Ca 0.06 -0.03 -0.38 0.00 -0.16 0.00 0.00 57.90 57.40 3gac n TYR 38 Cb 0.61 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.59 5.28 -0.07 -0.72 1.01 -0.17 -0.92 121.20 124.02 3gac s ILE 39 Ca 0.24 0.37 -0.05 0.00 0.00 0.00 0.00 60.65 61.21 3gac s ILE 39 Cb 0.17 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3gac s ILE 39 CO 0.25 0.27 0.16 -0.32 0.00 0.00 0.00 174.94 175.30 3gac s MET 40 N 1.43 3.44 0.04 2.79 -2.45 0.54 -4.96 119.30 120.13 3gac s MET 40 Ca 0.11 -0.21 -0.05 0.00 -1.25 0.00 0.00 55.69 54.29 3gac s MET 40 Cb -0.15 -3.15 -0.01 0.00 1.25 0.00 0.00 34.83 32.77 3gac s MET 40 CO 0.07 0.73 0.08 -1.54 1.05 0.00 0.00 175.02 175.41 3gac s SER 41 N -1.43 0.21 -0.06 1.11 1.04 -1.26 -0.76 113.70 112.55 3gac s SER 41 Ca 0.20 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 3gac s SER 41 Cb -0.12 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.24 3gac s SER 41 CO 0.11 -0.50 0.32 0.21 0.98 0.00 0.00 173.24 174.35 3gac s ASN 42 N -2.16 -0.26 -0.37 7.02 2.47 -0.45 -4.95 114.94 116.24 3gac s ASN 42 Ca -0.05 0.35 -0.03 0.00 0.42 0.00 0.00 52.86 53.55 3gac s ASN 42 Cb -0.01 0.48 0.08 0.00 -1.45 0.00 0.00 41.25 40.35 3gac s ASN 42 CO -0.05 -0.30 0.14 -0.47 -3.72 0.00 0.00 177.10 172.70 3gac s TYR 43 N -0.65 3.45 -0.46 0.43 5.04 -1.26 -0.87 117.35 123.04 3gac s TYR 43 Ca -0.07 -2.11 -0.12 0.00 -2.44 0.00 0.00 57.07 52.32 3gac s TYR 43 Cb -0.04 -2.79 0.09 0.00 0.35 0.00 0.00 41.96 39.57 3gac s TYR 43 CO 0.02 -0.89 0.35 0.34 -1.34 0.00 0.00 175.55 174.03 3gac s ASP 44 N 1.63 5.90 -0.34 4.32 -1.08 0.12 -5.01 116.67 122.21 3gac s ASP 44 Ca 0.03 -1.51 -0.29 0.00 -0.52 0.00 0.00 52.55 50.26 3gac s ASP 44 Cb -0.22 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 3gac s ASP 44 CO -0.02 -0.63 1.37 -0.47 0.52 0.00 0.00 175.17 175.93 3gac s TYR 45 N 1.52 2.53 -0.44 -5.34 5.04 -1.26 -1.97 117.35 117.43 3gac s TYR 45 Ca 0.04 0.76 0.03 0.00 -2.44 0.00 0.00 57.07 55.46 3gac s TYR 45 Cb -0.25 -4.08 0.12 0.00 0.35 0.00 0.00 41.96 38.11 3gac s TYR 45 CO 0.04 -1.90 0.20 -0.65 -1.34 0.00 0.00 175.55 171.90 3gac s GLN 46 N 4.52 1.49 0.54 4.97 -1.52 0.80 -4.96 119.66 125.50 3gac s GLN 46 Ca 0.59 -2.10 0.25 0.00 -1.95 0.00 0.00 55.36 52.16 3gac s GLN 46 Cb -0.16 -2.75 1.54 0.00 -0.22 0.00 0.00 33.01 31.42 3gac s GLN 46 CO 0.27 -1.09 2.16 1.57 -0.25 0.00 0.00 175.29 177.95 3gac h LYS 47 N 6.92 0.00 -0.45 2.91 2.10 -1.87 -2.27 116.57 123.89 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 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 3gac h LYS 47 CO 0.56 0.06 0.00 0.09 -2.00 0.00 0.00 179.45 178.16 3gac n ASN 48 N -3.94 3.10 -4.75 7.07 3.02 -1.26 -4.90 115.26 113.61 3gac n ASN 48 Ca -0.03 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 3gac n ASN 48 Cb 0.15 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.29 4.35 0.10 3.41 2.96 -0.86 -5.00 118.68 122.36 3gac s LEU 49 Ca 0.39 2.90 0.08 0.00 -0.22 0.00 0.00 54.13 57.28 3gac s LEU 49 Cb 0.21 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 3gac s LEU 49 CO 0.29 -0.89 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.09 3gac s ARG 50 N -0.25 1.14 -0.06 1.98 0.52 -1.26 -4.57 118.95 116.45 3gac s ARG 50 Ca 0.64 -1.14 -0.09 0.00 -0.52 0.00 0.00 55.73 54.62 3gac s ARG 50 Cb -0.47 -1.39 0.02 0.00 0.52 0.00 0.00 34.95 33.63 3gac s ARG 50 CO 0.45 0.32 0.22 0.12 0.02 0.00 0.00 175.30 176.44 3gac s PHE 51 N -1.14 -0.18 -1.32 -0.53 2.19 -0.51 -4.91 117.98 111.58 3gac s PHE 51 Ca 0.06 0.42 -0.10 0.00 0.33 0.00 0.00 56.93 57.64 3gac s PHE 51 Cb -0.10 0.06 0.08 0.00 -1.31 0.00 0.00 43.02 41.75 3gac s PHE 51 CO 0.04 -0.19 0.53 -1.13 1.83 0.00 0.00 175.22 176.29 3gac n SER 52 N 2.41 -3.78 -0.07 6.13 3.41 -1.26 -1.61 113.62 118.85 3gac n SER 52 Ca -0.16 -0.44 -0.01 0.00 -0.26 0.00 0.00 58.87 58.00 3gac n SER 52 Cb 0.57 -3.12 -0.00 0.00 -0.26 0.00 0.00 64.21 61.40 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 -1.21 0.48 3.11 5.00 0.00 -1.26 -5.04 105.19 106.26 3gac n GLY 53 Ca -0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.64 0.33 -0.09 1.61 1.04 -0.64 -5.04 113.70 108.27 3gac s SER 54 Ca 0.00 -0.79 0.12 0.00 0.48 0.00 0.00 55.95 55.76 3gac s SER 54 Cb 0.00 0.22 0.51 0.00 0.10 0.00 0.00 66.02 66.85 3gac s SER 54 CO 0.00 -0.57 1.36 -3.20 0.98 0.00 0.00 173.24 171.81 3gac n ASN 55 N 0.37 3.60 -4.74 7.02 4.05 -1.26 -1.42 115.26 122.87 3gac n ASN 55 Ca -0.16 -2.37 -0.33 0.00 0.45 0.00 0.00 54.58 52.16 3gac n ASN 55 Cb 0.60 -0.51 0.08 0.00 1.23 0.00 0.00 39.78 41.18 3gac n ASN 55 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3gac s GLU 56 N -1.84 2.38 -0.13 1.20 0.41 -1.26 -4.86 118.70 114.61 3gac s GLU 56 Ca 0.36 1.53 -0.39 0.00 -0.41 0.00 0.00 54.97 56.06 3gac s GLU 56 Cb 0.24 -1.89 -0.19 0.00 -1.78 0.00 0.00 34.13 30.52 3gac s GLU 56 CO 0.16 -1.60 1.13 0.41 -0.49 0.00 0.00 175.26 174.87 3gac n GLY 57 N -0.16 -0.14 3.46 -1.39 0.00 -1.26 -4.79 105.19 100.90 3gac n GLY 57 Ca 0.12 0.77 -0.16 0.00 0.00 0.00 0.00 46.02 46.75 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 0.75 -0.56 -0.04 1.61 5.04 -1.26 -4.67 117.35 118.22 3gac s TYR 58 Ca 0.88 1.04 0.03 0.00 -2.44 0.00 0.00 57.07 56.59 3gac s TYR 58 Cb -1.24 0.30 0.00 0.00 0.35 0.00 0.00 41.96 41.38 3gac s TYR 58 CO 0.59 -0.50 -0.13 0.00 -1.34 0.00 0.00 175.55 174.17 3gac s PHE 60 N 0.22 2.64 -0.09 0.00 5.36 0.23 -1.31 117.98 125.04 3gac s PHE 60 Ca -0.06 -0.93 0.04 0.00 -0.96 0.00 0.00 56.93 55.02 3gac s PHE 60 Cb -0.11 -1.76 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 3gac s PHE 60 CO 0.02 -0.36 -0.21 0.08 -1.46 0.00 0.00 175.22 173.29 3gac s VAL 61 N 0.36 2.39 -0.23 3.12 1.01 0.19 -0.50 120.40 126.72 3gac s VAL 61 Ca -0.16 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 3gac s VAL 61 Cb -0.17 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.31 3gac s VAL 61 CO 0.08 0.56 -0.09 -0.60 0.00 0.00 0.00 175.10 175.04 3gac s ARG 62 N 0.09 2.83 -0.28 2.72 3.52 -0.09 0.01 118.95 127.75 3gac s ARG 62 Ca -0.09 -0.97 -0.06 0.00 -0.13 0.00 0.00 55.73 54.48 3gac s ARG 62 Cb -0.15 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 3gac s ARG 62 CO 0.06 -0.37 0.06 -1.17 -0.81 0.00 0.00 175.30 173.07 3gac s LEU 63 N 1.30 3.63 -0.12 -0.88 2.96 -0.02 -0.76 118.68 124.79 3gac s LEU 63 Ca 0.00 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 3gac s LEU 63 Cb -0.16 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3gac s LEU 63 CO -0.06 -0.14 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.92 3gac s THR 64 N 1.51 4.07 0.01 3.68 2.01 0.21 -0.66 115.64 126.47 3gac s THR 64 Ca 0.04 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3gac s THR 64 Cb -0.16 -2.75 -0.00 0.00 0.01 0.00 0.00 72.50 69.59 3gac s THR 64 CO 0.02 0.54 0.12 -0.55 -0.69 0.00 0.00 174.62 174.06 3gac s SER 65 N -0.19 0.07 -0.78 3.53 0.15 -0.40 -0.27 113.70 115.82 3gac s SER 65 Ca 0.04 -0.29 -0.20 0.00 0.70 0.00 0.00 55.95 56.20 3gac s SER 65 Cb -0.13 0.21 0.11 0.00 -1.71 0.00 0.00 66.02 64.50 3gac s SER 65 CO 0.02 -0.40 0.97 -0.63 1.20 0.00 0.00 173.24 174.40 3gac s ILE 66 N -1.67 4.69 0.00 6.45 1.01 -1.26 -1.12 121.20 129.30 3gac s ILE 66 Ca -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.35 3gac s ILE 66 Cb -0.06 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.74 3gac s ILE 66 CO 0.00 -1.38 0.00 0.61 0.00 0.00 0.00 174.94 174.17 3gac n GLY 67 N 5.30 -1.59 2.46 6.18 0.00 -1.26 -4.97 105.19 111.31 3gac n GLY 67 Ca 0.08 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.97 0.61 3.43 -0.02 0.00 -1.26 -4.98 105.19 100.98 3gac n GLY 68 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.53 4.62 0.26 -0.61 -1.09 -1.26 -4.65 121.20 115.94 3gac s ILE 69 Ca 0.00 -0.58 -0.17 0.00 -2.23 0.00 0.00 60.65 57.67 3gac s ILE 69 Cb 0.00 -4.53 0.01 0.00 -1.58 0.00 0.00 42.46 36.36 3gac s ILE 69 CO 0.00 -1.18 0.59 0.54 -1.23 0.00 0.00 174.94 173.66 3gac s ASN 70 N 3.41 -0.18 0.15 3.58 2.20 -1.26 -5.03 114.94 117.81 3gac s ASN 70 Ca 0.17 -0.74 -0.18 0.00 -0.94 0.00 0.00 52.86 51.17 3gac s ASN 70 Cb -0.20 0.65 0.04 0.00 -2.00 0.00 0.00 41.25 39.74 3gac s ASN 70 CO 0.10 -1.22 1.70 -0.09 -2.94 0.00 0.00 177.10 174.64 3gac h ARG 71 N 2.14 0.05 -0.15 3.55 2.43 -1.98 0.81 114.38 121.22 3gac h ARG 71 Ca -0.23 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3gac h ARG 71 Cb 1.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3gac h ARG 71 CO 0.30 0.03 0.08 1.03 -1.51 0.00 0.00 179.97 179.90 3gac h SER 72 N 0.05 0.19 -0.22 -3.80 0.87 -1.97 -0.19 113.55 108.48 3gac h SER 72 Ca 0.15 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3gac h SER 72 Cb 0.21 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3gac h SER 72 CO -0.28 0.23 -0.01 0.78 -0.53 0.00 0.00 176.83 177.02 3gac h ASN 73 N 0.13 0.38 -0.33 6.23 2.35 -1.80 -2.03 115.58 120.51 3gac h ASN 73 Ca 0.05 -0.32 0.02 0.00 -0.55 0.00 0.00 56.30 55.50 3gac h ASN 73 Cb 0.09 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3gac h ASN 73 CO -0.01 0.61 0.18 0.78 -1.65 0.00 0.00 177.43 177.34 3gac h ASN 74 N 0.15 0.28 -0.29 5.81 2.35 -0.76 -0.12 115.58 122.99 3gac h ASN 74 Ca 0.06 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3gac h ASN 74 Cb 0.42 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3gac h ASN 74 CO 0.01 0.20 0.18 -1.28 -1.65 0.00 0.00 177.43 174.90 3gac h SER 75 N 0.37 0.35 -0.12 5.81 0.87 -1.03 0.15 113.55 119.94 3gac h SER 75 Ca 0.13 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3gac h SER 75 Cb 0.03 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3gac h SER 75 CO -0.08 0.28 0.07 -1.28 -0.53 0.00 0.00 176.83 175.29 3gac h SER 76 N 0.38 0.15 0.00 6.23 0.87 -1.12 -2.43 113.55 117.63 3gac h SER 76 Ca 0.11 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 3gac h SER 76 Cb -0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3gac h SER 76 CO -0.02 0.16 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.95 3gac h LEU 77 N 0.12 0.56 -0.57 2.23 3.38 -0.92 -1.63 115.31 118.47 3gac h LEU 77 Ca 0.04 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3gac h LEU 77 Cb 0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3gac h LEU 77 CO -0.01 0.92 0.26 0.00 0.09 0.00 0.00 178.44 179.70 3gac h ALA 78 N 1.11 0.74 0.35 1.53 0.00 -0.60 0.66 119.26 123.05 3gac h ALA 78 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gac h ALA 78 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gac h ALA 78 CO 0.08 -0.12 -0.17 0.22 0.00 0.00 0.00 179.25 179.26 3gac h ASP 79 N 0.48 -0.40 -0.44 0.00 3.58 -1.23 -2.46 116.42 115.96 3gac h ASP 79 Ca 0.27 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3gac h ASP 79 Cb 0.25 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3gac h ASP 79 CO -0.22 -0.10 0.25 0.11 -2.88 0.00 0.00 179.24 176.40 3gac h LYS 80 N -0.71 0.60 -0.31 0.28 1.57 -1.09 -1.70 116.57 115.21 3gac h LYS 80 Ca -0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3gac h LYS 80 Cb 0.49 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3gac h LYS 80 CO 0.08 0.46 -0.10 0.82 -0.57 0.00 0.00 179.45 180.14 3gac h ILE 81 N 0.58 1.28 -0.88 1.86 2.04 -0.96 -2.02 117.51 119.41 3gac h ILE 81 Ca 0.16 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.87 3gac h ILE 81 Cb 0.02 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3gac h ILE 81 CO -0.03 0.37 0.58 0.74 0.00 0.00 0.00 178.15 179.81 3gac h THR 82 N 0.39 1.20 -0.31 -0.27 2.02 -1.29 -0.67 112.91 113.98 3gac h THR 82 Ca 0.08 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3gac h THR 82 Cb 0.60 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3gac h THR 82 CO 0.04 0.21 0.15 0.50 0.37 0.00 0.00 175.52 176.79 3gac h LYS 83 N 1.16 0.44 -0.27 6.66 3.64 -1.23 -0.84 116.57 126.14 3gac h LYS 83 Ca 0.33 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 3gac h LYS 83 Cb -0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3gac h LYS 83 CO -0.09 0.41 0.10 0.82 -2.27 0.00 0.00 179.45 178.42 3gac h ILE 84 N 0.37 0.93 -0.65 2.00 2.04 -0.92 -0.29 117.51 120.99 3gac h ILE 84 Ca 0.11 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3gac h ILE 84 Cb 0.11 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3gac h ILE 84 CO -0.01 0.04 0.28 -0.07 0.00 0.00 0.00 178.15 178.38 3gac h LEU 85 N 0.22 0.88 -0.33 1.44 3.38 -0.98 0.12 115.31 120.04 3gac h LEU 85 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gac h LEU 85 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3gac h LEU 85 CO -0.12 0.79 0.12 -1.28 0.09 0.00 0.00 178.44 178.04 3gac h SER 86 N 0.90 0.47 -0.21 -0.43 0.87 -0.91 0.42 113.55 114.66 3gac h SER 86 Ca 0.22 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3gac h SER 86 Cb 0.18 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3gac h SER 86 CO -0.02 0.52 0.02 0.78 -0.53 0.00 0.00 176.83 177.60 3gac h ASN 87 N 0.39 0.34 0.47 6.23 2.35 -0.84 -2.12 115.58 122.40 3gac h ASN 87 Ca 0.11 -0.28 -0.30 0.00 -0.55 0.00 0.00 56.30 55.28 3gac h ASN 87 Cb 0.21 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3gac h ASN 87 CO -0.01 0.54 -1.53 0.45 -1.65 0.00 0.00 177.43 175.23 3gac h HIS 88 N 0.14 0.40 0.00 1.19 3.86 -0.76 -3.38 115.15 116.60 3gac h HIS 88 Ca 0.06 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3gac h HIS 88 Cb 0.35 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3gac h HIS 88 CO 0.03 1.35 -1.17 1.28 0.86 0.00 0.00 177.93 180.28 3gac n LEU 89 N -3.42 0.36 0.00 2.43 4.32 0.13 -4.99 117.00 115.83 3gac n LEU 89 Ca -0.16 -0.26 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 3gac n LEU 89 Cb 1.04 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.84 3gac n LEU 89 CO 0.50 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 3gac n GLY 90 N 1.49 0.45 3.77 -0.72 0.00 -0.80 -5.01 105.19 104.37 3gac n GLY 90 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.92 3.00 0.18 1.61 0.11 -1.25 -4.99 120.40 117.14 3gac s VAL 91 Ca 0.00 0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 59.58 3gac s VAL 91 Cb 0.00 -3.46 -0.08 0.00 -1.53 0.00 0.00 36.38 31.31 3gac s VAL 91 CO 0.00 0.07 1.15 -0.54 -3.33 0.00 0.00 175.10 172.45 3gac s LYS 92 N -2.38 4.53 0.37 1.54 -0.14 -1.26 -4.27 119.74 118.13 3gac s LYS 92 Ca 0.59 1.80 0.12 0.00 -1.36 0.00 0.00 55.97 57.12 3gac s LYS 92 Cb -0.32 -3.26 0.93 0.00 -1.68 0.00 0.00 37.83 33.49 3gac s LYS 92 CO 0.40 -0.03 1.82 -1.35 -0.76 0.00 0.00 175.35 175.44 3gac h PRO 93 N 5.26 0.56 0.00 -1.68 0.11 -1.94 0.21 132.00 134.51 3gac h PRO 93 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gac h PRO 93 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gac h PRO 93 CO 0.74 0.37 0.00 2.89 -0.21 0.00 0.00 178.00 181.79 3gac n ARG 94 N -4.61 0.47 -2.15 1.05 1.85 -1.26 -1.89 116.66 110.12 3gac n ARG 94 Ca 0.21 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.85 3gac n ARG 94 Cb 0.64 -1.48 0.02 0.00 -1.05 0.00 0.00 32.46 30.59 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 -0.98 3.35 -3.88 2.89 1.74 0.72 -4.98 116.66 115.52 3gac n ARG 95 Ca 0.11 -4.10 -0.26 0.00 -0.77 0.00 0.00 57.85 52.83 3gac n ARG 95 Cb 0.05 -2.19 -0.17 0.00 -1.02 0.00 0.00 32.46 29.13 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 -4.53 0.93 -0.05 1.55 1.01 -0.79 -0.94 120.40 117.56 3gac s VAL 96 Ca 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3gac s VAL 96 Cb 0.40 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3gac s VAL 96 CO 0.02 0.34 -0.06 -0.31 0.00 0.00 0.00 175.10 175.09 3gac s TYR 97 N 1.75 2.94 -0.06 5.22 1.51 -0.43 -5.02 117.35 123.27 3gac s TYR 97 Ca 0.05 0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 56.13 3gac s TYR 97 Cb -0.13 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3gac s TYR 97 CO -0.08 0.35 -0.01 0.42 -1.11 0.00 0.00 175.55 175.12 3gac s ILE 98 N -0.86 0.40 -0.15 2.71 1.01 -1.26 -0.64 121.20 122.41 3gac s ILE 98 Ca 0.14 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 3gac s ILE 98 Cb -0.11 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3gac s ILE 98 CO 0.03 0.23 0.06 -0.70 0.00 0.00 0.00 174.94 174.56 3gac s GLU 99 N 1.52 3.70 -0.18 2.79 2.12 0.10 -4.97 118.70 123.78 3gac s GLU 99 Ca -0.02 -0.33 -0.06 0.00 0.36 0.00 0.00 54.97 54.92 3gac s GLU 99 Cb -0.13 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 3gac s GLU 99 CO -0.03 0.43 0.02 -0.06 -0.54 0.00 0.00 175.26 175.07 3gac s PHE 100 N -0.08 3.12 -0.09 5.30 0.08 -1.26 -0.84 117.98 124.21 3gac s PHE 100 Ca 0.06 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.96 3gac s PHE 100 Cb -0.12 -2.04 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 3gac s PHE 100 CO 0.01 -0.01 -0.13 1.03 -0.10 0.00 0.00 175.22 176.03 3gac s ARG 101 N 0.53 1.87 0.25 0.44 1.81 0.17 -4.99 118.95 119.02 3gac s ARG 101 Ca 0.00 -0.44 -0.11 0.00 -1.72 0.00 0.00 55.73 53.46 3gac s ARG 101 Cb -0.14 -1.62 -0.08 0.00 -0.45 0.00 0.00 34.95 32.67 3gac s ARG 101 CO 0.02 -0.06 0.59 0.34 -0.68 0.00 0.00 175.30 175.51 3gac s ASP 102 N 0.97 6.66 -0.00 0.23 2.15 -1.26 -1.27 116.67 124.15 3gac s ASP 102 Ca -0.08 1.00 0.00 0.00 0.43 0.00 0.00 52.55 53.90 3gac s ASP 102 Cb -0.15 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 3gac s ASP 102 CO -0.00 -0.09 -0.00 0.00 -0.17 0.00 0.00 175.17 174.90 3gac s SER 104 N 0.13 6.57 0.46 0.00 0.15 -1.26 -4.19 113.70 115.56 3gac s SER 104 Ca -0.01 2.28 0.13 0.00 0.70 0.00 0.00 55.95 59.05 3gac s SER 104 Cb -0.02 -2.61 1.06 0.00 -1.71 0.00 0.00 66.02 62.74 3gac s SER 104 CO -0.00 -0.64 2.06 0.00 1.20 0.00 0.00 173.24 175.86 3gac h ALA 105 N 2.62 1.80 0.00 5.45 0.00 -1.90 -0.77 119.26 126.45 3gac h ALA 105 Ca -0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3gac h ALA 105 Cb 1.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gac h ALA 105 CO 0.62 0.16 -0.12 0.37 0.00 0.00 0.00 179.25 180.28 3gac h GLN 106 N 0.13 0.00 -0.60 0.00 4.15 -1.88 -3.07 115.11 113.85 3gac h GLN 106 Ca 0.03 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.27 3gac h GLN 106 Cb 0.13 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.71 3gac h GLN 106 CO 0.00 0.12 0.18 0.09 -1.93 0.00 0.00 178.83 177.30 3gac n ASN 107 N -3.54 4.27 -3.77 -0.69 3.02 -0.30 -4.91 115.26 109.34 3gac n ASN 107 Ca -0.01 -3.28 -0.13 0.00 -0.03 0.00 0.00 54.58 51.12 3gac n ASN 107 Cb 0.26 -0.70 -0.14 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.02 -0.19 0.11 3.10 5.36 -1.16 -4.87 117.98 117.32 3gac s PHE 108 Ca 0.51 0.50 0.10 0.00 -0.96 0.00 0.00 56.93 57.08 3gac s PHE 108 Cb 0.42 -0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 43.04 3gac s PHE 108 CO 0.10 -0.15 -0.25 0.00 -1.46 0.00 0.00 175.22 173.47 3gac s ALA 109 N 0.81 2.21 -0.03 11.12 0.00 -1.26 -0.69 121.76 133.91 3gac s ALA 109 Ca -0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 3gac s ALA 109 Cb -0.08 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.71 3gac s ALA 109 CO -0.04 0.49 0.07 0.12 0.00 0.00 0.00 175.76 176.40 3gac s PHE 110 N -1.05 -0.05 -1.45 0.00 2.19 0.14 -4.88 117.98 112.88 3gac s PHE 110 Ca 0.12 0.25 -0.05 0.00 0.33 0.00 0.00 56.93 57.57 3gac s PHE 110 Cb -0.10 -0.12 0.02 0.00 -1.31 0.00 0.00 43.02 41.51 3gac s PHE 110 CO 0.05 -0.10 0.46 0.45 1.83 0.00 0.00 175.22 177.92 3gac n SER 111 N 3.90 -5.21 0.00 6.13 2.88 -1.26 -2.42 113.62 117.63 3gac n SER 111 Ca -0.23 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 3gac n SER 111 Cb 0.53 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.73 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 -1.31 0.78 3.04 0.46 0.00 -1.26 -5.04 105.19 101.86 3gac n GLY 112 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3gac n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gac s SER 113 N -2.70 0.51 0.50 1.61 1.04 -1.02 -5.13 113.70 108.50 3gac s SER 113 Ca 0.00 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 55.50 3gac s SER 113 Cb 0.00 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 3gac s SER 113 CO 0.00 -0.39 1.28 -0.76 0.98 0.00 0.00 173.24 174.35 3gac s LEU 114 N -2.05 3.95 0.43 2.42 1.43 -1.26 -0.68 118.68 122.92 3gac s LEU 114 Ca -0.06 2.57 -0.26 0.00 -1.03 0.00 0.00 54.13 55.35 3gac s LEU 114 Cb -0.03 -4.22 -0.09 0.00 0.03 0.00 0.00 46.19 41.88 3gac s LEU 114 CO -0.04 -1.23 1.42 -0.36 0.23 0.00 0.00 176.35 176.37 3gac s PHE 115 N -1.40 2.53 -2.00 0.29 0.40 0.14 -4.81 117.98 113.13 3gac s PHE 115 Ca 0.67 1.27 0.22 0.00 -0.60 0.00 0.00 56.93 58.49 3gac s PHE 115 Cb -0.35 -3.90 1.32 0.00 0.51 0.00 0.00 43.02 40.59 3gac s PHE 115 CO 0.43 -2.82 1.69 0.41 0.70 0.00 0.00 175.22 175.63