#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 1.10 3.35 -0.23 0.00 2.02 -0.12 -1.40 118.70 123.43 3gac s GLU 5 Ca 0.03 -0.63 -0.13 0.00 0.02 0.00 0.00 54.97 54.25 3gac s GLU 5 Cb -0.19 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 3gac s GLU 5 CO -0.09 -0.62 0.30 -1.17 0.02 0.00 0.00 175.26 173.70 3gac s LEU 6 N 1.94 4.12 -0.17 1.80 2.96 -0.23 -0.74 118.68 128.36 3gac s LEU 6 Ca 0.10 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3gac s LEU 6 Cb -0.17 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.19 3gac s LEU 6 CO 0.12 -0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.32 3gac s ILE 7 N 1.29 2.42 -0.01 6.68 1.01 0.97 -0.14 121.20 133.42 3gac s ILE 7 Ca 0.14 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 3gac s ILE 7 Cb -0.14 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.33 3gac s ILE 7 CO 0.07 0.52 0.34 0.28 0.00 0.00 0.00 174.94 176.15 3gac s THR 8 N 1.09 0.05 -1.35 2.92 -1.32 -0.56 -0.58 115.64 115.90 3gac s THR 8 Ca -0.00 -0.44 0.14 0.00 -1.21 0.00 0.00 61.69 60.18 3gac s THR 8 Cb -0.14 -0.66 0.52 0.00 -1.51 0.00 0.00 72.50 70.70 3gac s THR 8 CO -0.06 -0.24 1.39 -0.46 -2.21 0.00 0.00 174.62 173.04 3gac n ASN 9 N 1.20 3.49 -4.71 8.08 0.23 -1.17 0.00 115.26 122.38 3gac n ASN 9 Ca -0.21 -2.28 -0.37 0.00 -0.53 0.00 0.00 54.58 51.19 3gac n ASN 9 Cb 0.56 -0.47 -0.07 0.00 -2.08 0.00 0.00 39.78 37.72 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 -1.70 5.25 -0.31 1.53 1.01 -1.26 -4.81 121.20 120.91 3gac s ILE 10 Ca 0.37 0.70 -0.10 0.00 0.00 0.00 0.00 60.65 61.61 3gac s ILE 10 Cb 0.23 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 3gac s ILE 10 CO 0.19 0.34 0.16 -0.55 0.00 0.00 0.00 174.94 175.08 3gac s SER 11 N 0.66 5.62 0.04 3.58 0.15 -1.26 -4.91 113.70 117.59 3gac s SER 11 Ca 0.20 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.40 3gac s SER 11 Cb -0.14 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 3gac s SER 11 CO 0.07 -0.18 -0.04 0.27 1.20 0.00 0.00 173.24 174.55 3gac s ILE 12 N 1.64 0.31 0.78 6.45 -4.36 -1.26 -5.16 121.20 119.60 3gac s ILE 12 Ca 0.05 -1.36 -0.14 0.00 -0.26 0.00 0.00 60.65 58.94 3gac s ILE 12 Cb -0.17 -0.91 0.07 0.00 1.25 0.00 0.00 42.46 42.70 3gac s ILE 12 CO 0.07 -0.68 1.21 -2.84 0.24 0.00 0.00 174.94 172.94 3gac s PRO 13 N -2.57 1.79 0.25 0.37 0.02 -1.26 -4.71 135.00 128.89 3gac s PRO 13 Ca -0.04 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 62.71 3gac s PRO 13 Cb -0.02 -1.79 0.45 0.00 0.02 0.00 0.00 34.50 33.15 3gac s PRO 13 CO -0.04 -2.10 1.78 -0.44 -0.33 0.00 0.00 177.00 175.87 3gac h ASP 14 N -0.71 0.56 -0.65 2.53 3.32 -2.01 -1.17 116.42 118.28 3gac h ASP 14 Ca -0.47 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 3gac h ASP 14 Cb 1.30 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3gac h ASP 14 CO 0.47 0.28 0.29 -2.24 -1.72 0.00 0.00 179.24 176.32 3gac h ASP 15 N 0.67 0.90 0.44 6.45 2.03 -1.99 0.22 116.42 125.13 3gac h ASP 15 Ca 0.42 -0.11 -0.19 0.00 -0.73 0.00 0.00 57.03 56.41 3gac h ASP 15 Cb 0.50 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.76 3gac h ASP 15 CO -0.31 0.79 -0.81 0.11 -1.03 0.00 0.00 179.24 177.99 3gac h LYS 16 N 0.97 0.28 -0.46 4.15 1.79 -1.72 -1.83 116.57 119.75 3gac h LYS 16 Ca 0.23 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 3gac h LYS 16 Cb 0.16 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 3gac h LYS 16 CO -0.02 0.95 0.19 0.00 -1.08 0.00 0.00 179.45 179.48 3gac h ALA 17 N 0.96 0.59 -0.84 3.86 0.00 -0.78 -2.03 119.26 121.02 3gac h ALA 17 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3gac h ALA 17 Cb 1.41 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3gac h ALA 17 CO 0.13 0.20 0.55 1.96 0.00 0.00 0.00 179.25 182.09 3gac h GLN 18 N 0.59 1.08 -0.51 0.00 1.08 -0.86 -1.66 115.11 114.83 3gac h GLN 18 Ca 0.15 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 3gac h GLN 18 Cb 0.19 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3gac h GLN 18 CO -0.01 0.71 0.28 -0.91 -0.95 0.00 0.00 178.83 177.95 3gac h ASN 19 N 1.11 0.63 -0.32 1.46 2.35 -1.18 0.07 115.58 119.70 3gac h ASN 19 Ca 0.32 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3gac h ASN 19 Cb -0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3gac h ASN 19 CO -0.09 0.54 0.14 0.00 -1.65 0.00 0.00 177.43 176.37 3gac h ALA 20 N 1.12 0.42 -0.67 -0.83 0.00 -1.07 -2.42 119.26 115.81 3gac h ALA 20 Ca 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gac h ALA 20 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3gac h ALA 20 CO -0.03 0.01 0.43 -0.07 0.00 0.00 0.00 179.25 179.59 3gac h LEU 21 N 0.38 0.73 -0.73 0.00 3.38 -1.15 -2.00 115.31 115.92 3gac h LEU 21 Ca 0.11 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3gac h LEU 21 Cb 0.16 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3gac h LEU 21 CO -0.01 0.52 0.45 -1.28 0.09 0.00 0.00 178.44 178.21 3gac h SER 22 N 0.86 0.72 -0.51 -0.43 0.87 -0.77 0.88 113.55 115.17 3gac h SER 22 Ca 0.25 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.71 3gac h SER 22 Cb -0.05 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3gac h SER 22 CO -0.08 0.49 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.29 3gac h GLU 23 N 0.86 1.00 -0.63 2.24 4.39 -1.26 -1.81 114.58 119.37 3gac h GLU 23 Ca 0.30 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3gac h GLU 23 Cb 0.07 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3gac h GLU 23 CO -0.13 1.04 0.27 0.82 -1.16 0.00 0.00 179.01 179.84 3gac h ILE 24 N 0.89 1.23 -0.62 3.13 2.04 -0.87 -1.89 117.51 121.41 3gac h ILE 24 Ca 0.14 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.37 3gac h ILE 24 Cb 0.65 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3gac h ILE 24 CO 0.05 0.28 0.32 -0.33 0.00 0.00 0.00 178.15 178.46 3gac h GLU 25 N 0.88 0.56 -0.75 2.37 5.08 -0.62 -0.61 114.58 121.48 3gac h GLU 25 Ca 0.21 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3gac h GLU 25 Cb 0.18 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3gac h GLU 25 CO -0.02 0.37 0.28 -0.44 -1.00 0.00 0.00 179.01 178.20 3gac h ASP 26 N 0.58 1.06 -0.32 1.42 3.32 -1.06 0.48 116.42 121.90 3gac h ASP 26 Ca 0.29 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3gac h ASP 26 Cb 0.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3gac h ASP 26 CO -0.21 0.96 0.09 0.00 -1.72 0.00 0.00 179.24 178.37 3gac h ALA 27 N 1.14 0.43 -0.33 3.45 0.00 -0.91 -1.38 119.26 121.65 3gac h ALA 27 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gac h ALA 27 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3gac h ALA 27 CO -0.02 0.08 0.22 0.82 0.00 0.00 0.00 179.25 180.35 3gac h ILE 28 N 0.37 1.09 -0.67 0.00 2.04 -0.87 -1.77 117.51 117.70 3gac h ILE 28 Ca 0.10 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3gac h ILE 28 Cb 0.27 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3gac h ILE 28 CO -0.00 0.09 0.43 -1.28 0.00 0.00 0.00 178.15 177.39 3gac h SER 29 N 0.45 0.71 0.16 1.72 0.87 -0.82 -0.18 113.55 116.46 3gac h SER 29 Ca 0.12 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3gac h SER 29 Cb -0.04 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 3gac h SER 29 CO -0.03 0.50 -0.07 0.78 -0.53 0.00 0.00 176.83 177.48 3gac h ASN 30 N 0.85 -0.18 -0.11 6.23 2.35 -1.03 -1.96 115.58 121.74 3gac h ASN 30 Ca 0.26 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3gac h ASN 30 Cb -0.02 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3gac h ASN 30 CO -0.09 0.05 -0.10 0.58 -1.65 0.00 0.00 177.43 176.22 3gac h VAL 31 N -0.41 1.36 0.00 2.81 2.07 -1.23 -3.24 116.25 117.61 3gac h VAL 31 Ca -0.02 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3gac h VAL 31 Cb 0.32 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3gac h VAL 31 CO 0.04 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.16 3gac n LEU 32 N -4.64 0.38 -2.68 2.57 4.77 -0.09 -4.92 117.00 112.40 3gac n LEU 32 Ca -0.07 0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 56.27 3gac n LEU 32 Cb 0.33 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3gac n LEU 32 CO 0.38 -0.12 0.11 0.61 -1.33 0.00 0.00 177.39 177.03 3gac n GLY 33 N 1.27 -0.23 3.18 -0.72 0.00 -0.77 -4.97 105.19 102.95 3gac n GLY 33 Ca 0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 1.73 0.71 1.61 1.02 -1.03 -5.06 119.74 112.96 3gac s LYS 34 Ca 0.36 -0.68 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 3gac s LYS 34 Cb -0.16 -1.59 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 3gac s LYS 34 CO 0.44 0.36 1.13 -1.25 -0.92 0.00 0.00 175.35 175.11 3gac s PRO 35 N -0.27 2.46 0.52 -1.68 0.04 -1.26 -4.21 135.00 130.60 3gac s PRO 35 Ca 0.03 1.47 0.18 0.00 0.04 0.00 0.00 61.00 62.71 3gac s PRO 35 Cb -0.09 -1.90 1.28 0.00 0.04 0.00 0.00 34.50 33.83 3gac s PRO 35 CO 0.01 -1.53 2.11 0.28 0.04 0.00 0.00 177.00 177.91 3gac h VAL 36 N -0.30 0.94 -1.35 -0.36 2.07 -1.94 -1.41 116.25 113.90 3gac h VAL 36 Ca -0.46 -0.01 0.39 0.00 0.82 0.00 0.00 66.70 67.44 3gac h VAL 36 Cb 1.26 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3gac h VAL 36 CO 0.52 0.00 0.96 0.00 0.02 0.00 0.00 177.57 179.08 3gac h ALA 37 N 1.93 3.23 -0.30 1.67 0.00 -2.01 -0.11 119.26 123.68 3gac h ALA 37 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gac h ALA 37 Cb 0.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gac h ALA 37 CO -0.00 -1.63 0.00 0.66 0.00 0.00 0.00 179.25 178.28 3gac n TYR 38 N -4.16 0.38 -3.77 0.00 4.01 -0.53 -4.96 117.16 108.13 3gac n TYR 38 Ca 0.30 -0.21 -0.36 0.00 -0.16 0.00 0.00 57.90 57.46 3gac n TYR 38 Cb 1.40 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 40.31 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 -1.45 4.80 -0.04 -0.72 1.01 -0.05 -0.45 121.20 124.30 3gac s ILE 39 Ca 0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 3gac s ILE 39 Cb 0.20 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 3gac s ILE 39 CO 0.28 0.35 0.30 -0.32 0.00 0.00 0.00 174.94 175.55 3gac s MET 40 N 1.27 3.72 0.04 2.79 -2.45 0.38 -4.95 119.30 120.10 3gac s MET 40 Ca 0.06 0.18 -0.03 0.00 -1.25 0.00 0.00 55.69 54.65 3gac s MET 40 Cb -0.14 -3.20 -0.02 0.00 1.25 0.00 0.00 34.83 32.72 3gac s MET 40 CO 0.05 0.72 0.03 -1.54 1.05 0.00 0.00 175.02 175.33 3gac s SER 41 N -1.11 0.31 -0.05 1.11 1.04 -1.26 -0.62 113.70 113.12 3gac s SER 41 Ca 0.21 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.78 3gac s SER 41 Cb -0.15 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.20 3gac s SER 41 CO 0.10 -0.53 0.32 0.21 0.98 0.00 0.00 173.24 174.32 3gac s ASN 42 N -2.39 -0.25 -0.36 7.02 2.47 -0.50 -4.96 114.94 115.98 3gac s ASN 42 Ca -0.01 0.29 -0.01 0.00 0.42 0.00 0.00 52.86 53.55 3gac s ASN 42 Cb 0.02 0.44 0.09 0.00 -1.45 0.00 0.00 41.25 40.35 3gac s ASN 42 CO -0.07 -0.34 0.11 -0.47 -3.72 0.00 0.00 177.10 172.61 3gac s TYR 43 N -0.82 3.51 -0.49 0.43 5.04 -1.26 -1.07 117.35 122.70 3gac s TYR 43 Ca -0.09 -2.35 -0.15 0.00 -2.44 0.00 0.00 57.07 52.04 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 0.03 -0.91 0.42 0.34 -1.34 0.00 0.00 175.55 174.08 3gac s ASP 44 N 1.46 6.10 -0.32 4.32 -1.08 0.80 -5.02 116.67 122.93 3gac s ASP 44 Ca 0.04 -1.52 -0.29 0.00 -0.52 0.00 0.00 52.55 50.27 3gac s ASP 44 Cb -0.21 -2.17 -0.00 0.00 -1.46 0.00 0.00 42.92 39.08 3gac s ASP 44 CO -0.04 -0.71 1.38 -0.47 0.52 0.00 0.00 175.17 175.85 3gac s TYR 45 N 1.60 2.52 -0.44 -5.34 5.04 -1.26 -1.49 117.35 117.98 3gac s TYR 45 Ca 0.04 0.77 0.02 0.00 -2.44 0.00 0.00 57.07 55.46 3gac s TYR 45 Cb -0.26 -4.03 0.13 0.00 0.35 0.00 0.00 41.96 38.15 3gac s TYR 45 CO 0.05 -1.96 0.22 -0.65 -1.34 0.00 0.00 175.55 171.86 3gac s GLN 46 N 4.46 1.39 0.59 4.97 -1.52 0.10 -4.96 119.66 124.69 3gac s GLN 46 Ca 0.60 -2.05 0.33 0.00 -1.95 0.00 0.00 55.36 52.29 3gac s GLN 46 Cb -0.17 -2.56 1.85 0.00 -0.22 0.00 0.00 33.01 31.91 3gac s GLN 46 CO 0.27 -1.12 2.22 1.57 -0.25 0.00 0.00 175.29 177.97 3gac h LYS 47 N 6.84 0.00 -0.47 2.91 2.10 -1.87 -2.05 116.57 124.03 3gac h LYS 47 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 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 0.53 0.03 0.00 0.09 -2.00 0.00 0.00 179.45 178.10 3gac n ASN 48 N -3.57 2.75 -4.76 7.07 3.02 -1.26 -4.94 115.26 113.58 3gac n ASN 48 Ca -0.02 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 3gac n ASN 48 Cb 0.13 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.13 4.36 0.06 3.41 2.96 -0.77 -5.02 118.68 122.56 3gac s LEU 49 Ca 0.35 2.87 0.07 0.00 -0.22 0.00 0.00 54.13 57.20 3gac s LEU 49 Cb 0.19 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 3gac s LEU 49 CO 0.25 -0.81 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.16 3gac s ARG 50 N -0.95 1.15 -0.10 1.98 0.52 -1.26 -4.49 118.95 115.80 3gac s ARG 50 Ca 0.58 -0.97 -0.09 0.00 -0.52 0.00 0.00 55.73 54.73 3gac s ARG 50 Cb -0.45 -1.28 0.03 0.00 0.52 0.00 0.00 34.95 33.77 3gac s ARG 50 CO 0.50 0.31 0.27 0.12 0.02 0.00 0.00 175.30 176.52 3gac s PHE 51 N -0.97 -0.30 -1.45 -0.53 2.19 -0.53 -4.90 117.98 111.48 3gac s PHE 51 Ca 0.05 0.73 -0.08 0.00 0.33 0.00 0.00 56.93 57.96 3gac s PHE 51 Cb -0.09 0.10 0.04 0.00 -1.31 0.00 0.00 43.02 41.76 3gac s PHE 51 CO 0.02 -0.15 0.71 0.45 1.83 0.00 0.00 175.22 178.08 3gac n SER 52 N 3.06 -5.26 -0.15 6.13 2.88 -1.26 -2.06 113.62 116.97 3gac n SER 52 Ca -0.14 -0.43 -0.02 0.00 -1.33 0.00 0.00 58.87 56.95 3gac n SER 52 Cb 0.58 -4.24 -0.01 0.00 -0.75 0.00 0.00 64.21 59.79 3gac n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gac n GLY 53 N -1.51 0.54 3.17 0.46 0.00 -1.26 -5.02 105.19 101.57 3gac n GLY 53 Ca -0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.42 0.29 -0.07 1.61 1.04 -0.87 -5.04 113.70 108.24 3gac s SER 54 Ca 0.00 -1.01 0.11 0.00 0.48 0.00 0.00 55.95 55.53 3gac s SER 54 Cb 0.00 0.30 0.44 0.00 0.10 0.00 0.00 66.02 66.85 3gac s SER 54 CO 0.00 -0.72 1.29 0.59 0.98 0.00 0.00 173.24 175.38 3gac n ASN 55 N -0.05 3.07 -4.74 7.02 3.02 -1.26 -1.45 115.26 120.87 3gac n ASN 55 Ca -0.10 -2.27 -0.35 0.00 -0.03 0.00 0.00 54.58 51.83 3gac n ASN 55 Cb 0.63 -0.45 0.05 0.00 -0.61 0.00 0.00 39.78 39.40 3gac n ASN 55 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gac s GLU 56 N -1.72 2.70 -0.13 3.52 2.12 -1.26 -4.87 118.70 119.06 3gac s GLU 56 Ca 0.31 1.81 -0.41 0.00 0.36 0.00 0.00 54.97 57.04 3gac s GLU 56 Cb 0.20 -1.90 -0.19 0.00 0.26 0.00 0.00 34.13 32.50 3gac s GLU 56 CO 0.15 -1.42 1.27 0.41 -0.54 0.00 0.00 175.26 175.14 3gac n GLY 57 N 0.46 -0.00 3.40 -1.50 0.00 -1.26 -4.80 105.19 101.49 3gac n GLY 57 Ca 0.14 0.82 -0.16 0.00 0.00 0.00 0.00 46.02 46.82 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 1.00 -0.47 -0.04 1.61 5.04 -1.26 -4.67 117.35 118.55 3gac s TYR 58 Ca 0.94 0.86 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 3gac s TYR 58 Cb -1.27 0.26 0.01 0.00 0.35 0.00 0.00 41.96 41.30 3gac s TYR 58 CO 0.62 -0.48 -0.10 0.00 -1.34 0.00 0.00 175.55 174.25 3gac s PHE 60 N 0.40 2.51 -0.09 0.00 5.36 0.25 -1.18 117.98 125.23 3gac s PHE 60 Ca -0.08 -1.07 0.03 0.00 -0.96 0.00 0.00 56.93 54.85 3gac s PHE 60 Cb -0.12 -1.69 -0.01 0.00 -0.34 0.00 0.00 43.02 40.86 3gac s PHE 60 CO 0.02 -0.45 -0.19 0.08 -1.46 0.00 0.00 175.22 173.22 3gac s VAL 61 N 0.45 2.60 -0.25 3.12 1.01 -0.10 -0.02 120.40 127.21 3gac s VAL 61 Ca -0.16 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3gac s VAL 61 Cb -0.17 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.21 3gac s VAL 61 CO 0.07 0.56 -0.08 -0.60 0.00 0.00 0.00 175.10 175.04 3gac s ARG 62 N -0.00 2.71 -0.26 2.72 3.52 0.08 -0.01 118.95 127.71 3gac s ARG 62 Ca -0.06 -1.05 -0.07 0.00 -0.13 0.00 0.00 55.73 54.42 3gac s ARG 62 Cb -0.15 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 3gac s ARG 62 CO 0.05 -0.43 0.06 -1.17 -0.81 0.00 0.00 175.30 173.00 3gac s LEU 63 N 1.27 3.47 -0.12 -0.88 2.96 0.43 -0.95 118.68 124.87 3gac s LEU 63 Ca -0.01 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3gac s LEU 63 Cb -0.17 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3gac s LEU 63 CO -0.05 -0.08 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.93 3gac s THR 64 N 1.56 3.52 -0.03 3.68 2.01 0.51 -0.01 115.64 126.89 3gac s THR 64 Ca 0.05 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 3gac s THR 64 Cb -0.16 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.88 3gac s THR 64 CO 0.02 0.54 0.19 -0.55 -0.69 0.00 0.00 174.62 174.13 3gac s SER 65 N -0.03 -0.10 -0.83 3.53 0.15 -0.15 -0.11 113.70 116.16 3gac s SER 65 Ca -0.01 0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.50 3gac s SER 65 Cb -0.14 0.31 0.07 0.00 -1.71 0.00 0.00 66.02 64.55 3gac s SER 65 CO 0.03 -0.26 1.20 -0.63 1.20 0.00 0.00 173.24 174.78 3gac s ILE 66 N -0.78 4.17 0.00 6.45 1.01 -1.26 -1.23 121.20 129.56 3gac s ILE 66 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3gac s ILE 66 Cb -0.05 -4.86 0.00 0.00 0.01 0.00 0.00 42.46 37.56 3gac s ILE 66 CO 0.01 -1.69 0.00 0.61 0.00 0.00 0.00 174.94 173.88 3gac n GLY 67 N 5.79 -1.75 2.42 6.18 0.00 -1.26 -4.97 105.19 111.60 3gac n GLY 67 Ca 0.14 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.13 0.69 3.44 -0.02 0.00 -1.26 -4.97 105.19 100.94 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 -2.77 4.73 0.26 -0.61 -1.09 -1.26 -4.67 121.20 115.79 3gac s ILE 69 Ca 0.00 -0.51 -0.21 0.00 -2.23 0.00 0.00 60.65 57.70 3gac s ILE 69 Cb 0.00 -4.43 0.03 0.00 -1.58 0.00 0.00 42.46 36.48 3gac s ILE 69 CO 0.00 -1.01 0.68 0.54 -1.23 0.00 0.00 174.94 173.92 3gac s ASN 70 N 3.08 -0.30 0.14 3.58 2.20 -1.26 -5.02 114.94 117.36 3gac s ASN 70 Ca 0.17 -0.53 -0.20 0.00 -0.94 0.00 0.00 52.86 51.35 3gac s ASN 70 Cb -0.19 0.70 -0.01 0.00 -2.00 0.00 0.00 41.25 39.75 3gac s ASN 70 CO 0.11 -1.27 1.68 -0.09 -2.94 0.00 0.00 177.10 174.59 3gac h ARG 71 N 2.02 -0.08 0.07 3.55 2.43 -1.98 0.97 114.38 121.36 3gac h ARG 71 Ca -0.22 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3gac h ARG 71 Cb 1.26 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 3gac h ARG 71 CO 0.26 -0.05 -0.07 1.03 -1.51 0.00 0.00 179.97 179.63 3gac h SER 72 N -0.08 -0.18 -0.33 -3.80 0.87 -1.98 0.01 113.55 108.06 3gac h SER 72 Ca 0.11 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3gac h SER 72 Cb 0.24 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3gac h SER 72 CO -0.25 -0.11 0.08 0.78 -0.53 0.00 0.00 176.83 176.80 3gac h ASN 73 N -0.16 0.50 -0.46 6.23 2.35 -1.81 -2.21 115.58 120.04 3gac h ASN 73 Ca 0.01 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 3gac h ASN 73 Cb 0.15 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3gac h ASN 73 CO -0.02 0.60 0.27 0.78 -1.65 0.00 0.00 177.43 177.41 3gac h ASN 74 N 0.39 0.44 -0.47 5.81 4.21 -0.69 -1.15 115.58 124.12 3gac h ASN 74 Ca 0.11 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 3gac h ASN 74 Cb 0.29 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.38 3gac h ASN 74 CO 0.00 0.32 0.27 -1.28 -1.29 0.00 0.00 177.43 175.45 3gac h SER 75 N 0.55 0.58 -0.07 5.81 0.87 -0.95 0.34 113.55 120.68 3gac h SER 75 Ca 0.18 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3gac h SER 75 Cb 0.01 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3gac h SER 75 CO -0.08 0.49 0.03 -1.28 -0.53 0.00 0.00 176.83 175.45 3gac h SER 76 N 0.63 0.09 0.13 6.23 0.87 -1.12 -2.15 113.55 118.23 3gac h SER 76 Ca 0.17 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 3gac h SER 76 Cb 0.02 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3gac h SER 76 CO -0.03 0.22 -0.44 -0.07 -0.53 0.00 0.00 176.83 175.98 3gac h LEU 77 N -0.05 0.40 -0.55 2.23 3.38 -1.17 -0.50 115.31 119.05 3gac h LEU 77 Ca 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gac h LEU 77 Cb 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3gac h LEU 77 CO -0.00 0.79 0.33 0.00 0.09 0.00 0.00 178.44 179.65 3gac h ALA 78 N 1.23 0.70 0.35 1.53 0.00 -0.83 0.21 119.26 122.45 3gac h ALA 78 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gac h ALA 78 Cb 0.90 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gac h ALA 78 CO 0.07 0.18 -0.17 0.22 0.00 0.00 0.00 179.25 179.56 3gac h ASP 79 N 0.74 -0.40 -0.02 0.00 3.58 -1.15 -2.62 116.42 116.55 3gac h ASP 79 Ca 0.20 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3gac h ASP 79 Cb -0.01 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 3gac h ASP 79 CO -0.04 -0.18 0.01 0.11 -2.88 0.00 0.00 179.24 176.26 3gac h LYS 80 N -0.60 0.03 -0.61 0.28 1.57 -0.91 -2.63 116.57 113.71 3gac h LYS 80 Ca -0.05 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3gac h LYS 80 Cb 0.44 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3gac h LYS 80 CO 0.08 0.22 0.16 0.82 -0.57 0.00 0.00 179.45 180.16 3gac h ILE 81 N -0.16 1.25 -0.63 1.86 2.04 -0.69 -1.42 117.51 119.76 3gac h ILE 81 Ca 0.01 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3gac h ILE 81 Cb 0.20 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3gac h ILE 81 CO -0.00 0.33 0.33 0.74 0.00 0.00 0.00 178.15 179.56 3gac h THR 82 N 0.89 1.21 -0.65 -0.27 2.02 -1.46 -0.89 112.91 113.76 3gac h THR 82 Ca 0.19 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 3gac h THR 82 Cb 0.33 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3gac h THR 82 CO -0.00 0.23 0.24 0.11 0.37 0.00 0.00 175.52 176.47 3gac h LYS 83 N 0.86 0.98 -0.58 6.66 1.57 -1.27 -1.09 116.57 123.69 3gac h LYS 83 Ca 0.22 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3gac h LYS 83 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3gac h LYS 83 CO -0.03 0.83 0.38 0.82 -0.57 0.00 0.00 179.45 180.88 3gac h ILE 84 N 0.92 1.13 -0.45 1.86 2.04 -0.88 -0.44 117.51 121.68 3gac h ILE 84 Ca 0.21 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3gac h ILE 84 Cb 0.23 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3gac h ILE 84 CO -0.01 0.14 0.14 -0.07 0.00 0.00 0.00 178.15 178.34 3gac h LEU 85 N 0.77 0.66 -0.64 1.44 3.38 -0.96 0.68 115.31 120.65 3gac h LEU 85 Ca 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gac h LEU 85 Cb -0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3gac h LEU 85 CO -0.06 0.70 0.34 0.28 0.09 0.00 0.00 178.44 179.79 3gac h SER 86 N 0.60 0.80 -0.13 -0.43 0.02 -0.98 0.35 113.55 113.78 3gac h SER 86 Ca 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3gac h SER 86 Cb 0.27 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3gac h SER 86 CO -0.00 0.68 0.04 -1.13 -1.14 0.00 0.00 176.83 175.28 3gac h ASN 87 N 0.87 0.19 0.64 3.07 -0.00 -0.80 -1.54 115.58 118.01 3gac h ASN 87 Ca 0.22 -0.20 -0.26 0.00 -0.00 0.00 0.00 56.30 56.06 3gac h ASN 87 Cb 0.06 -0.05 -0.04 0.00 -0.00 0.00 0.00 38.32 38.28 3gac h ASN 87 CO -0.03 0.34 -1.50 0.45 -0.00 0.00 0.00 177.43 176.68 3gac h HIS 88 N 0.04 0.00 0.00 0.67 3.86 -0.79 -3.39 115.15 115.54 3gac h HIS 88 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3gac h HIS 88 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3gac h HIS 88 CO -0.00 0.98 -0.57 1.28 0.86 0.00 0.00 177.93 180.48 3gac n LEU 89 N -3.12 0.33 0.00 2.43 4.32 0.12 -5.00 117.00 116.08 3gac n LEU 89 Ca -0.12 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.46 3gac n LEU 89 Cb 1.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.81 3gac n LEU 89 CO 0.45 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 3gac n GLY 90 N 1.34 0.53 3.77 -0.72 0.00 -0.58 -4.99 105.19 104.52 3gac n GLY 90 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.29 2.75 0.27 1.61 0.11 -1.25 -4.97 120.40 116.63 3gac s VAL 91 Ca 0.00 0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 59.50 3gac s VAL 91 Cb 0.00 -3.48 -0.10 0.00 -1.53 0.00 0.00 36.38 31.28 3gac s VAL 91 CO 0.00 0.17 1.35 -0.54 -3.33 0.00 0.00 175.10 172.76 3gac s LYS 92 N -1.67 4.34 0.33 1.54 1.02 -1.26 -4.24 119.74 119.79 3gac s LYS 92 Ca 0.49 2.20 0.08 0.00 0.02 0.00 0.00 55.97 58.76 3gac s LYS 92 Cb -0.39 -3.12 0.81 0.00 -0.52 0.00 0.00 37.83 34.61 3gac s LYS 92 CO 0.52 -0.28 1.79 -1.35 -0.92 0.00 0.00 175.35 175.11 3gac h PRO 93 N 4.50 0.67 0.00 -1.68 0.11 -1.94 0.14 132.00 133.81 3gac h PRO 93 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gac h PRO 93 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gac h PRO 93 CO 0.73 0.44 0.00 0.54 -0.21 0.00 0.00 178.00 179.50 3gac n ARG 94 N -4.71 0.73 -1.82 1.05 1.74 -1.26 -2.04 116.66 110.34 3gac n ARG 94 Ca 0.23 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.19 3gac n ARG 94 Cb 0.61 -1.19 0.07 0.00 -1.02 0.00 0.00 32.46 30.93 3gac n ARG 94 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gac n ARG 95 N -0.69 2.65 -4.00 5.56 1.74 0.49 -5.00 116.66 117.41 3gac n ARG 95 Ca 0.06 -3.74 -0.27 0.00 -0.77 0.00 0.00 57.85 53.13 3gac n ARG 95 Cb 0.03 -1.89 -0.17 0.00 -1.02 0.00 0.00 32.46 29.42 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 -3.89 1.15 -0.07 1.55 1.01 -0.87 -1.28 120.40 118.00 3gac s VAL 96 Ca 0.43 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3gac s VAL 96 Cb 0.39 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3gac s VAL 96 CO -0.01 0.39 -0.02 -0.31 0.00 0.00 0.00 175.10 175.15 3gac s TYR 97 N 1.56 3.08 -0.08 5.22 1.51 -0.33 -5.02 117.35 123.29 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 -0.13 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3gac s TYR 97 CO -0.08 0.43 -0.06 0.42 -1.11 0.00 0.00 175.55 175.15 3gac s ILE 98 N -0.88 0.78 -0.15 2.71 1.01 -1.26 -0.93 121.20 122.48 3gac s ILE 98 Ca 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 3gac s ILE 98 Cb -0.11 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 3gac s ILE 98 CO 0.03 0.31 0.03 -0.70 0.00 0.00 0.00 174.94 174.61 3gac s GLU 99 N 1.42 3.63 -0.17 2.79 2.12 0.98 -4.98 118.70 124.49 3gac s GLU 99 Ca -0.02 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 54.88 3gac s GLU 99 Cb -0.13 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 3gac s GLU 99 CO -0.04 0.41 -0.00 -0.06 -0.54 0.00 0.00 175.26 175.03 3gac s PHE 100 N -0.05 3.09 -0.08 5.30 0.08 -1.26 -0.43 117.98 124.63 3gac s PHE 100 Ca 0.05 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.90 3gac s PHE 100 Cb -0.12 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 3gac s PHE 100 CO 0.02 -0.02 -0.14 1.03 -0.10 0.00 0.00 175.22 176.00 3gac s ARG 101 N 0.49 1.96 0.12 0.44 1.81 0.99 -4.97 118.95 119.78 3gac s ARG 101 Ca -0.01 -0.49 -0.13 0.00 -1.72 0.00 0.00 55.73 53.37 3gac s ARG 101 Cb -0.14 -1.61 -0.07 0.00 -0.45 0.00 0.00 34.95 32.69 3gac s ARG 101 CO 0.02 0.02 0.50 0.34 -0.68 0.00 0.00 175.30 175.50 3gac s ASP 102 N 0.72 6.78 -0.01 0.23 2.15 -1.26 -0.98 116.67 124.30 3gac s ASP 102 Ca -0.13 1.00 0.01 0.00 0.43 0.00 0.00 52.55 53.86 3gac s ASP 102 Cb -0.16 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3gac s ASP 102 CO 0.03 0.14 -0.05 0.00 -0.17 0.00 0.00 175.17 175.13 3gac s SER 104 N 0.03 7.10 0.46 0.00 0.15 -1.26 -4.11 113.70 116.08 3gac s SER 104 Ca 0.00 2.31 0.15 0.00 0.70 0.00 0.00 55.95 59.11 3gac s SER 104 Cb -0.04 -2.63 1.11 0.00 -1.71 0.00 0.00 66.02 62.76 3gac s SER 104 CO -0.00 -0.26 2.03 0.00 1.20 0.00 0.00 173.24 176.20 3gac h ALA 105 N 3.55 2.05 0.00 5.45 0.00 -1.92 0.23 119.26 128.62 3gac h ALA 105 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gac h ALA 105 Cb 1.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gac h ALA 105 CO 0.66 -0.15 -0.02 0.37 0.00 0.00 0.00 179.25 180.11 3gac h GLN 106 N 0.28 0.00 -0.50 0.00 4.15 -1.89 -2.88 115.11 114.28 3gac h GLN 106 Ca 0.20 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.44 3gac h GLN 106 Cb 0.44 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.01 3gac h GLN 106 CO -0.04 0.02 0.12 0.09 -1.93 0.00 0.00 178.83 177.09 3gac n ASN 107 N -3.16 3.52 -3.73 -0.69 3.02 0.06 -4.91 115.26 109.37 3gac n ASN 107 Ca -0.01 -3.44 -0.13 0.00 -0.03 0.00 0.00 54.58 50.97 3gac n ASN 107 Cb 0.22 -0.66 -0.14 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 -3.10 -0.26 0.14 3.10 5.36 -1.09 -4.86 117.98 117.27 3gac s PHE 108 Ca 0.48 0.67 0.09 0.00 -0.96 0.00 0.00 56.93 57.20 3gac s PHE 108 Cb 0.41 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 43.01 3gac s PHE 108 CO 0.07 -0.22 -0.15 0.00 -1.46 0.00 0.00 175.22 173.46 3gac s ALA 109 N 1.38 2.80 -0.04 11.12 0.00 -1.26 -0.94 121.76 134.82 3gac s ALA 109 Ca -0.08 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 3gac s ALA 109 Cb -0.11 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.34 3gac s ALA 109 CO -0.07 0.56 0.08 0.12 0.00 0.00 0.00 175.76 176.45 3gac s PHE 110 N -1.34 -0.06 -1.36 0.00 2.19 0.35 -4.86 117.98 112.90 3gac s PHE 110 Ca 0.21 0.30 -0.04 0.00 0.33 0.00 0.00 56.93 57.72 3gac s PHE 110 Cb -0.10 -0.17 0.02 0.00 -1.31 0.00 0.00 43.02 41.46 3gac s PHE 110 CO 0.12 -0.13 0.31 0.45 1.83 0.00 0.00 175.22 177.80 3gac n SER 111 N 4.22 -4.72 0.00 6.13 2.88 -1.26 -2.03 113.62 118.84 3gac n SER 111 Ca -0.27 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 3gac n SER 111 Cb 0.51 -3.91 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 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 -1.14 0.74 3.00 0.46 0.00 -1.26 -5.04 105.19 101.95 3gac n GLY 112 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.40 0.64 0.41 1.61 0.01 -0.86 -5.12 113.70 108.01 3gac s SER 113 Ca 0.00 -0.32 -0.25 0.00 1.31 0.00 0.00 55.95 56.69 3gac s SER 113 Cb 0.00 -0.00 -0.08 0.00 0.21 0.00 0.00 66.02 66.14 3gac s SER 113 CO 0.00 -0.09 1.22 -0.76 0.41 0.00 0.00 173.24 174.02 3gac s LEU 114 N -0.86 4.17 0.70 2.44 1.43 -1.26 -0.50 118.68 124.80 3gac s LEU 114 Ca -0.05 2.45 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 3gac s LEU 114 Cb -0.06 -4.02 0.02 0.00 0.03 0.00 0.00 46.19 42.16 3gac s LEU 114 CO 0.00 -0.80 1.13 -0.36 0.23 0.00 0.00 176.35 176.55 3gac s PHE 115 N -1.37 2.46 0.00 0.29 2.99 -0.11 -4.87 117.98 117.36 3gac s PHE 115 Ca 0.58 1.57 0.00 0.00 0.00 0.00 0.00 56.93 59.09 3gac s PHE 115 Cb -0.33 -3.21 0.00 0.00 0.00 0.00 0.00 43.02 39.48 3gac s PHE 115 CO 0.42 -1.92 0.00 0.41 -0.00 0.00 0.00 175.22 174.12