#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 1.02 3.01 -0.16 0.00 2.02 0.12 -1.25 118.70 123.47 3gac s GLU 5 Ca 0.03 -1.25 -0.18 0.00 0.02 0.00 0.00 54.97 53.59 3gac s GLU 5 Cb -0.19 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.88 3gac s GLU 5 CO -0.07 -1.06 0.50 -1.17 0.02 0.00 0.00 175.26 173.48 3gac s LEU 6 N 1.85 4.21 -0.13 1.80 2.96 -0.27 -0.94 118.68 128.16 3gac s LEU 6 Ca 0.06 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 3gac s LEU 6 Cb -0.23 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.76 3gac s LEU 6 CO 0.08 -0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.21 3gac s ILE 7 N 1.13 1.77 -0.01 6.68 1.01 0.12 -0.59 121.20 131.31 3gac s ILE 7 Ca 0.25 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 3gac s ILE 7 Cb -0.15 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.75 3gac s ILE 7 CO 0.10 0.49 0.35 0.28 0.00 0.00 0.00 174.94 176.17 3gac s THR 8 N 1.02 0.05 -2.08 2.92 -1.32 -0.78 -0.20 115.64 115.25 3gac s THR 8 Ca -0.04 -0.43 0.19 0.00 -1.21 0.00 0.00 61.69 60.19 3gac s THR 8 Cb -0.15 -0.68 0.49 0.00 -1.51 0.00 0.00 72.50 70.65 3gac s THR 8 CO -0.04 -0.24 1.43 -0.46 -2.21 0.00 0.00 174.62 173.10 3gac n ASN 9 N 1.17 2.97 -4.67 8.08 0.23 -1.17 -0.27 115.26 121.61 3gac n ASN 9 Ca -0.21 -1.97 -0.38 0.00 -0.53 0.00 0.00 54.58 51.48 3gac n ASN 9 Cb 0.56 -0.34 -0.07 0.00 -2.08 0.00 0.00 39.78 37.85 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 -1.32 5.19 -0.25 1.53 1.01 -1.26 -4.79 121.20 121.31 3gac s ILE 10 Ca 0.38 0.73 -0.15 0.00 0.00 0.00 0.00 60.65 61.61 3gac s ILE 10 Cb 0.20 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3gac s ILE 10 CO 0.27 0.25 0.35 -0.55 0.00 0.00 0.00 174.94 175.26 3gac s SER 11 N 1.02 6.28 0.11 3.58 0.15 -1.26 -4.94 113.70 118.64 3gac s SER 11 Ca 0.20 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.20 3gac s SER 11 Cb -0.15 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 3gac s SER 11 CO 0.08 -0.13 -0.09 0.27 1.20 0.00 0.00 173.24 174.57 3gac s ILE 12 N 1.77 0.92 0.82 6.45 -4.36 -1.26 -5.15 121.20 120.39 3gac s ILE 12 Ca 0.15 -1.85 -0.13 0.00 -0.26 0.00 0.00 60.65 58.56 3gac s ILE 12 Cb -0.15 -1.59 0.09 0.00 1.25 0.00 0.00 42.46 42.05 3gac s ILE 12 CO 0.09 -0.72 1.18 -2.84 0.24 0.00 0.00 174.94 172.90 3gac s PRO 13 N -3.39 1.60 0.25 0.37 0.02 -1.26 -4.75 135.00 127.84 3gac s PRO 13 Ca 0.11 1.67 -0.04 0.00 0.02 0.00 0.00 61.00 62.75 3gac s PRO 13 Cb 0.01 -1.78 0.35 0.00 0.02 0.00 0.00 34.50 33.10 3gac s PRO 13 CO -0.01 -2.23 1.88 -0.44 -0.33 0.00 0.00 177.00 175.87 3gac h ASP 14 N -1.06 0.99 -0.57 2.53 3.32 -2.01 -1.03 116.42 118.60 3gac h ASP 14 Ca -0.45 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 3gac h ASP 14 Cb 1.28 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3gac h ASP 14 CO 0.46 0.66 0.13 -2.24 -1.72 0.00 0.00 179.24 176.52 3gac h ASP 15 N 1.14 0.90 -0.32 6.45 2.03 -1.99 -0.07 116.42 124.56 3gac h ASP 15 Ca 0.40 -0.18 -0.17 0.00 -0.73 0.00 0.00 57.03 56.34 3gac h ASP 15 Cb 0.10 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.36 3gac h ASP 15 CO -0.15 0.88 -0.47 0.11 -1.03 0.00 0.00 179.24 178.58 3gac h LYS 16 N 0.91 0.90 -0.40 4.15 1.79 -1.79 -1.83 116.57 120.30 3gac h LYS 16 Ca 0.19 -0.52 0.02 0.00 -2.18 0.00 0.00 60.65 58.16 3gac h LYS 16 Cb 0.35 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 3gac h LYS 16 CO 0.00 1.17 0.23 0.00 -1.08 0.00 0.00 179.45 179.77 3gac h ALA 17 N 0.74 0.51 -0.76 3.86 0.00 -0.96 -0.88 119.26 121.77 3gac h ALA 17 Ca 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gac h ALA 17 Cb 1.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3gac h ALA 17 CO 0.11 -0.11 0.49 1.96 0.00 0.00 0.00 179.25 181.70 3gac h GLN 18 N 0.46 0.96 -0.36 0.00 1.08 -0.90 -1.36 115.11 114.98 3gac h GLN 18 Ca 0.16 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 3gac h GLN 18 Cb 0.03 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 3gac h GLN 18 CO -0.08 0.63 0.11 -0.91 -0.95 0.00 0.00 178.83 177.63 3gac h ASN 19 N 0.99 0.53 -0.60 1.46 2.35 -1.08 -1.39 115.58 117.84 3gac h ASN 19 Ca 0.29 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3gac h ASN 19 Cb -0.05 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3gac h ASN 19 CO -0.09 0.59 0.32 0.00 -1.65 0.00 0.00 177.43 176.61 3gac h ALA 20 N 0.96 0.77 -0.63 -0.83 0.00 -0.95 -2.44 119.26 116.13 3gac h ALA 20 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3gac h ALA 20 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3gac h ALA 20 CO -0.00 0.29 0.13 -0.07 0.00 0.00 0.00 179.25 179.60 3gac h LEU 21 N 0.81 0.96 -0.77 0.00 3.38 -1.18 -2.00 115.31 116.51 3gac h LEU 21 Ca 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gac h LEU 21 Cb 0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3gac h LEU 21 CO -0.03 0.94 0.46 -1.28 0.09 0.00 0.00 178.44 178.61 3gac h SER 22 N 0.96 0.93 -0.57 -0.43 0.87 -1.01 -0.24 113.55 114.05 3gac h SER 22 Ca 0.20 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 3gac h SER 22 Cb 0.37 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3gac h SER 22 CO 0.00 0.73 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.69 3gac h GLU 23 N 1.05 1.01 -0.55 2.24 4.39 -1.26 -1.72 114.58 119.75 3gac h GLU 23 Ca 0.27 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3gac h GLU 23 Cb -0.03 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3gac h GLU 23 CO -0.05 1.01 0.34 0.82 -1.16 0.00 0.00 179.01 179.97 3gac h ILE 24 N 0.90 1.16 -0.73 3.13 2.04 -1.08 -1.69 117.51 121.23 3gac h ILE 24 Ca 0.16 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3gac h ILE 24 Cb 0.56 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 3gac h ILE 24 CO 0.03 0.16 0.40 -0.33 0.00 0.00 0.00 178.15 178.41 3gac h GLU 25 N 0.74 0.68 -0.60 2.37 5.08 -0.85 -0.89 114.58 121.11 3gac h GLU 25 Ca 0.20 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3gac h GLU 25 Cb -0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3gac h GLU 25 CO -0.04 0.45 0.07 -0.44 -1.00 0.00 0.00 179.01 178.05 3gac h ASP 26 N 0.70 0.95 -0.34 1.42 3.32 -0.87 -0.06 116.42 121.54 3gac h ASP 26 Ca 0.34 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3gac h ASP 26 Cb 0.29 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3gac h ASP 26 CO -0.23 0.96 0.09 0.00 -1.72 0.00 0.00 179.24 178.35 3gac h ALA 27 N 1.14 0.44 -0.41 3.45 0.00 -0.83 -0.96 119.26 122.10 3gac h ALA 27 Ca 0.18 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gac h ALA 27 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3gac h ALA 27 CO 0.01 0.09 0.24 0.82 0.00 0.00 0.00 179.25 180.42 3gac h ILE 28 N 0.39 1.05 -0.68 0.00 2.04 -0.96 -0.87 117.51 118.48 3gac h ILE 28 Ca 0.11 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3gac h ILE 28 Cb 0.27 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3gac h ILE 28 CO -0.00 0.09 0.24 -1.28 0.00 0.00 0.00 178.15 177.20 3gac h SER 29 N 0.49 0.93 -0.23 1.72 0.87 -0.91 0.21 113.55 116.63 3gac h SER 29 Ca 0.16 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 3gac h SER 29 Cb 0.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 3gac h SER 29 CO -0.07 0.85 -0.08 -1.13 -0.53 0.00 0.00 176.83 175.87 3gac h ASN 30 N 0.99 0.48 0.07 6.23 -0.73 -0.82 -1.26 115.58 120.54 3gac h ASN 30 Ca 0.22 -0.39 -0.13 0.00 1.87 0.00 0.00 56.30 57.87 3gac h ASN 30 Cb 0.23 -0.13 0.01 0.00 0.27 0.00 0.00 38.32 38.71 3gac h ASN 30 CO -0.01 0.75 -0.57 0.58 -0.37 0.00 0.00 177.43 177.81 3gac h VAL 31 N 0.20 1.54 0.00 2.57 2.07 -1.01 -3.35 116.25 118.27 3gac h VAL 31 Ca 0.06 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.25 3gac h VAL 31 Cb 0.56 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3gac h VAL 31 CO 0.03 0.65 -0.67 0.18 0.02 0.00 0.00 177.57 177.78 3gac n LEU 32 N -4.27 0.68 0.00 2.57 4.77 0.05 -4.95 117.00 115.84 3gac n LEU 32 Ca -0.12 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3gac n LEU 32 Cb 0.70 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3gac n LEU 32 CO 0.45 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3gac n GLY 33 N 1.35 0.58 3.70 -0.72 0.00 -0.48 -4.97 105.19 104.65 3gac n GLY 33 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.16 4.48 0.64 1.61 -0.14 -1.22 -5.00 119.74 119.96 3gac s LYS 34 Ca 0.00 1.38 -0.18 0.00 -1.36 0.00 0.00 55.97 55.81 3gac s LYS 34 Cb 0.00 -3.50 -0.01 0.00 -1.68 0.00 0.00 37.83 32.63 3gac s LYS 34 CO 0.00 -0.19 1.26 -2.30 -0.76 0.00 0.00 175.35 173.36 3gac n PRO 35 N 4.49 1.09 0.08 -1.68 -0.02 -1.26 -4.25 135.00 133.45 3gac n PRO 35 Ca 0.07 0.43 0.18 0.00 -2.02 0.00 0.00 63.50 62.16 3gac n PRO 35 Cb 0.50 -2.50 0.70 0.00 -0.02 0.00 0.00 33.50 32.18 3gac n PRO 35 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gac h VAL 36 N 0.52 0.74 -0.09 -1.45 2.07 -1.95 -0.58 116.25 115.51 3gac h VAL 36 Ca -0.51 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3gac h VAL 36 Cb 1.34 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3gac h VAL 36 CO 0.53 0.00 0.15 0.00 0.02 0.00 0.00 177.57 178.27 3gac h ALA 37 N 1.78 1.53 -0.02 1.67 0.00 -2.02 -1.21 119.26 120.99 3gac h ALA 37 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gac h ALA 37 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gac h ALA 37 CO -0.00 -0.20 -0.41 0.66 0.00 0.00 0.00 179.25 179.30 3gac n TYR 38 N -3.53 0.00 -3.54 0.00 4.01 -0.23 -4.95 117.16 108.92 3gac n TYR 38 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 3gac n TYR 38 Cb 0.24 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.45 5.28 -0.00 -0.72 1.01 -0.46 -1.49 121.20 122.36 3gac s ILE 39 Ca 0.20 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 61.06 3gac s ILE 39 Cb 0.18 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 3gac s ILE 39 CO 0.55 0.24 0.30 -0.32 0.00 0.00 0.00 174.94 175.71 3gac s MET 40 N 1.75 3.66 0.04 2.79 -2.45 -0.22 -4.98 119.30 119.89 3gac s MET 40 Ca 0.10 0.06 -0.06 0.00 -1.25 0.00 0.00 55.69 54.54 3gac s MET 40 Cb -0.16 -3.11 -0.01 0.00 1.25 0.00 0.00 34.83 32.80 3gac s MET 40 CO 0.10 0.66 0.12 -1.54 1.05 0.00 0.00 175.02 175.41 3gac s SER 41 N -1.47 0.16 -0.06 1.11 1.04 -1.26 -0.62 113.70 112.59 3gac s SER 41 Ca 0.26 -0.52 -0.16 0.00 0.48 0.00 0.00 55.95 56.00 3gac s SER 41 Cb -0.14 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.26 3gac s SER 41 CO 0.14 -0.54 0.37 0.21 0.98 0.00 0.00 173.24 174.40 3gac s ASN 42 N -2.19 -0.30 -0.37 7.02 2.47 -0.38 -4.95 114.94 116.24 3gac s ASN 42 Ca -0.04 0.37 -0.03 0.00 0.42 0.00 0.00 52.86 53.58 3gac s ASN 42 Cb -0.00 0.49 0.08 0.00 -1.45 0.00 0.00 41.25 40.37 3gac s ASN 42 CO -0.05 -0.36 0.13 -0.47 -3.72 0.00 0.00 177.10 172.63 3gac s TYR 43 N -0.83 3.43 -0.43 0.43 5.04 -1.26 -1.12 117.35 122.62 3gac s TYR 43 Ca -0.09 -2.07 -0.11 0.00 -2.44 0.00 0.00 57.07 52.36 3gac s TYR 43 Cb -0.04 -2.74 0.07 0.00 0.35 0.00 0.00 41.96 39.60 3gac s TYR 43 CO 0.04 -0.88 0.29 0.34 -1.34 0.00 0.00 175.55 174.00 3gac s ASP 44 N 1.61 5.81 -0.35 4.32 -1.08 0.24 -5.03 116.67 122.20 3gac s ASP 44 Ca 0.02 -1.37 -0.29 0.00 -0.52 0.00 0.00 52.55 50.40 3gac s ASP 44 Cb -0.21 -2.05 0.01 0.00 -1.46 0.00 0.00 42.92 39.21 3gac s ASP 44 CO -0.02 -0.55 1.17 -0.47 0.52 0.00 0.00 175.17 175.83 3gac s TYR 45 N 1.51 2.90 -0.43 -5.34 5.04 -1.26 -1.87 117.35 117.91 3gac s TYR 45 Ca 0.03 0.97 0.03 0.00 -2.44 0.00 0.00 57.07 55.66 3gac s TYR 45 Cb -0.23 -3.95 0.12 0.00 0.35 0.00 0.00 41.96 38.26 3gac s TYR 45 CO 0.04 -1.22 0.18 -0.65 -1.34 0.00 0.00 175.55 172.56 3gac s GLN 46 N 4.04 1.48 0.54 4.97 -1.52 0.63 -4.97 119.66 124.84 3gac s GLN 46 Ca 0.50 -2.05 0.21 0.00 -1.95 0.00 0.00 55.36 52.07 3gac s GLN 46 Cb -0.13 -2.81 1.46 0.00 -0.22 0.00 0.00 33.01 31.32 3gac s GLN 46 CO 0.22 -1.07 2.17 1.57 -0.25 0.00 0.00 175.29 177.93 3gac h LYS 47 N 7.04 0.00 -0.65 2.91 2.10 -1.87 -1.99 116.57 124.12 3gac h LYS 47 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3gac h LYS 47 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 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 -4.29 4.82 -4.73 7.07 3.02 -1.26 -4.92 115.26 114.97 3gac n ASN 48 Ca -0.02 -2.47 -0.42 0.00 -0.03 0.00 0.00 54.58 51.65 3gac n ASN 48 Cb 0.14 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.88 4.38 0.08 3.41 2.96 -0.75 -4.98 118.68 121.89 3gac s LEU 49 Ca 0.52 2.60 0.08 0.00 -0.22 0.00 0.00 54.13 57.10 3gac s LEU 49 Cb 0.33 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 3gac s LEU 49 CO 0.24 -0.74 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.19 3gac s ARG 50 N 0.44 1.21 -0.08 1.98 0.52 -1.26 -4.49 118.95 117.27 3gac s ARG 50 Ca 0.64 -1.07 -0.09 0.00 -0.52 0.00 0.00 55.73 54.69 3gac s ARG 50 Cb -0.42 -1.42 0.02 0.00 0.52 0.00 0.00 34.95 33.65 3gac s ARG 50 CO 0.37 0.34 0.24 0.12 0.02 0.00 0.00 175.30 176.39 3gac s PHE 51 N -1.03 -0.23 -1.37 -0.53 2.19 -0.43 -4.90 117.98 111.68 3gac s PHE 51 Ca 0.07 0.56 -0.03 0.00 0.33 0.00 0.00 56.93 57.86 3gac s PHE 51 Cb -0.10 0.08 0.01 0.00 -1.31 0.00 0.00 43.02 41.71 3gac s PHE 51 CO 0.03 -0.16 0.22 -1.13 1.83 0.00 0.00 175.22 176.01 3gac n SER 52 N 2.68 -4.78 0.00 6.13 3.41 -1.26 -2.05 113.62 117.75 3gac n SER 52 Ca -0.14 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3gac n SER 52 Cb 0.58 -3.97 0.00 0.00 -0.26 0.00 0.00 64.21 60.56 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 -1.07 0.61 3.18 5.00 0.00 -1.26 -5.05 105.19 106.60 3gac n GLY 53 Ca -0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.05 0.27 -0.05 1.61 1.04 -0.87 -5.03 113.70 108.61 3gac s SER 54 Ca 0.00 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 55.55 3gac s SER 54 Cb 0.00 0.31 0.33 0.00 0.10 0.00 0.00 66.02 66.76 3gac s SER 54 CO 0.00 -0.73 1.16 -3.20 0.98 0.00 0.00 173.24 171.46 3gac n ASN 55 N -0.05 2.40 -4.74 7.02 4.05 -1.26 -1.32 115.26 121.36 3gac n ASN 55 Ca -0.10 -2.19 -0.37 0.00 0.45 0.00 0.00 54.58 52.37 3gac n ASN 55 Cb 0.63 -0.39 0.05 0.00 1.23 0.00 0.00 39.78 41.30 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 -1.66 2.83 -0.33 1.20 0.41 -1.26 -4.83 118.70 115.05 3gac s GLU 56 Ca 0.23 2.03 -0.43 0.00 -0.41 0.00 0.00 54.97 56.39 3gac s GLU 56 Cb 0.15 -1.97 -0.19 0.00 -1.78 0.00 0.00 34.13 30.34 3gac s GLU 56 CO 0.12 -1.37 1.39 0.41 -0.49 0.00 0.00 175.26 175.31 3gac n GLY 57 N 0.74 0.04 3.32 -1.39 0.00 -1.26 -4.78 105.19 101.87 3gac n GLY 57 Ca 0.14 0.90 -0.15 0.00 0.00 0.00 0.00 46.02 46.91 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 2.01 -0.32 -0.05 1.61 5.04 -1.26 -4.69 117.35 119.68 3gac s TYR 58 Ca 0.97 0.52 0.03 0.00 -2.44 0.00 0.00 57.07 56.15 3gac s TYR 58 Cb -1.38 0.19 0.01 0.00 0.35 0.00 0.00 41.96 41.13 3gac s TYR 58 CO 0.72 -0.46 -0.12 0.00 -1.34 0.00 0.00 175.55 174.35 3gac s PHE 60 N 0.39 2.64 -0.11 0.00 5.36 0.72 -1.33 117.98 125.66 3gac s PHE 60 Ca -0.09 -0.93 0.03 0.00 -0.96 0.00 0.00 56.93 54.98 3gac s PHE 60 Cb -0.13 -1.76 -0.00 0.00 -0.34 0.00 0.00 43.02 40.79 3gac s PHE 60 CO 0.02 -0.36 -0.22 0.08 -1.46 0.00 0.00 175.22 173.28 3gac s VAL 61 N 0.36 2.19 -0.24 3.12 1.01 -0.00 0.13 120.40 126.97 3gac s VAL 61 Ca -0.16 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 3gac s VAL 61 Cb -0.17 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3gac s VAL 61 CO 0.08 0.55 -0.03 -0.60 0.00 0.00 0.00 175.10 175.10 3gac s ARG 62 N 0.36 3.13 -0.30 2.72 3.52 -0.12 -0.33 118.95 127.93 3gac s ARG 62 Ca -0.18 -0.79 -0.07 0.00 -0.13 0.00 0.00 55.73 54.56 3gac s ARG 62 Cb -0.18 -3.05 0.02 0.00 -1.56 0.00 0.00 34.95 30.17 3gac s ARG 62 CO 0.08 -0.31 0.08 -1.17 -0.81 0.00 0.00 175.30 173.17 3gac s LEU 63 N 1.42 3.91 -0.14 -0.88 2.96 0.15 -0.70 118.68 125.41 3gac s LEU 63 Ca 0.03 -0.79 -0.04 0.00 -0.22 0.00 0.00 54.13 53.11 3gac s LEU 63 Cb -0.16 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3gac s LEU 63 CO -0.03 -0.21 0.01 -0.89 -1.32 0.00 0.00 176.35 173.91 3gac s THR 64 N 1.48 4.36 -0.01 3.68 2.01 0.49 -0.43 115.64 127.22 3gac s THR 64 Ca 0.02 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 3gac s THR 64 Cb -0.18 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.44 3gac s THR 64 CO 0.02 0.53 0.17 -0.55 -0.69 0.00 0.00 174.62 174.10 3gac s SER 65 N -0.14 -0.04 -1.00 3.53 0.15 -0.41 0.28 113.70 116.07 3gac s SER 65 Ca 0.05 -0.07 -0.20 0.00 0.70 0.00 0.00 55.95 56.43 3gac s SER 65 Cb -0.12 0.25 0.10 0.00 -1.71 0.00 0.00 66.02 64.54 3gac s SER 65 CO 0.02 -0.34 1.30 -0.63 1.20 0.00 0.00 173.24 174.79 3gac s ILE 66 N -1.15 4.42 0.00 6.45 1.01 -1.26 -0.97 121.20 129.69 3gac s ILE 66 Ca -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.16 3gac s ILE 66 Cb -0.06 -4.91 0.00 0.00 0.01 0.00 0.00 42.46 37.49 3gac s ILE 66 CO 0.02 -1.70 0.00 0.61 0.00 0.00 0.00 174.94 173.87 3gac n GLY 67 N 5.91 -1.19 2.14 6.18 0.00 -1.26 -4.97 105.19 112.00 3gac n GLY 67 Ca 0.29 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.43 0.64 3.46 -0.02 0.00 -1.26 -4.98 105.19 101.60 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 -2.49 4.89 0.24 -0.61 -1.09 -1.26 -4.67 121.20 116.20 3gac s ILE 69 Ca 0.00 -0.38 -0.22 0.00 -2.23 0.00 0.00 60.65 57.82 3gac s ILE 69 Cb 0.00 -4.26 0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3gac s ILE 69 CO 0.00 -0.74 0.73 0.54 -1.23 0.00 0.00 174.94 174.25 3gac s ASN 70 N 2.49 -0.30 0.19 3.58 2.20 -1.26 -5.02 114.94 116.82 3gac s ASN 70 Ca 0.16 -0.47 -0.13 0.00 -0.94 0.00 0.00 52.86 51.49 3gac s ASN 70 Cb -0.18 0.67 0.20 0.00 -2.00 0.00 0.00 41.25 39.94 3gac s ASN 70 CO 0.13 -1.22 1.72 -0.09 -2.94 0.00 0.00 177.10 174.70 3gac h ARG 71 N 2.00 0.24 0.20 3.55 2.43 -1.98 0.73 114.38 121.55 3gac h ARG 71 Ca -0.22 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3gac h ARG 71 Cb 1.26 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3gac h ARG 71 CO 0.26 0.16 -0.10 1.03 -1.51 0.00 0.00 179.97 179.81 3gac h SER 72 N 0.25 -0.23 -0.36 -3.80 0.87 -1.97 -1.22 113.55 107.08 3gac h SER 72 Ca 0.26 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3gac h SER 72 Cb 0.34 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3gac h SER 72 CO -0.33 -0.01 0.08 0.78 -0.53 0.00 0.00 176.83 176.83 3gac h ASN 73 N -0.45 0.56 -0.50 6.23 2.35 -1.81 -2.14 115.58 119.81 3gac h ASN 73 Ca -0.03 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 3gac h ASN 73 Cb 0.35 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3gac h ASN 73 CO 0.05 0.66 0.28 0.78 -1.65 0.00 0.00 177.43 177.54 3gac h ASN 74 N 0.44 0.44 -0.39 5.81 4.21 -0.87 -0.66 115.58 124.56 3gac h ASN 74 Ca 0.11 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 3gac h ASN 74 Cb 0.32 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 3gac h ASN 74 CO 0.00 0.31 0.20 -1.28 -1.29 0.00 0.00 177.43 175.36 3gac h SER 75 N 0.56 0.50 -0.20 5.81 0.87 -1.12 0.76 113.55 120.73 3gac h SER 75 Ca 0.21 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3gac h SER 75 Cb 0.06 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3gac h SER 75 CO -0.12 0.47 0.08 -1.28 -0.53 0.00 0.00 176.83 175.46 3gac h SER 76 N 0.49 0.27 -0.07 6.23 0.87 -1.15 -2.22 113.55 117.97 3gac h SER 76 Ca 0.13 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 3gac h SER 76 Cb 0.10 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3gac h SER 76 CO -0.02 0.35 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.28 3gac h LEU 77 N 0.17 0.53 -0.39 2.23 3.38 -1.03 -1.31 115.31 118.88 3gac h LEU 77 Ca 0.07 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gac h LEU 77 Cb 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3gac h LEU 77 CO -0.01 0.79 0.22 0.00 0.09 0.00 0.00 178.44 179.54 3gac h ALA 78 N 1.25 0.50 0.41 1.53 0.00 -0.71 0.11 119.26 122.34 3gac h ALA 78 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gac h ALA 78 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3gac h ALA 78 CO 0.06 -0.12 -0.20 0.22 0.00 0.00 0.00 179.25 179.21 3gac h ASP 79 N 0.45 -0.47 -0.14 0.00 3.58 -1.18 -2.54 116.42 116.13 3gac h ASP 79 Ca 0.16 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 3gac h ASP 79 Cb 0.02 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3gac h ASP 79 CO -0.08 -0.31 0.08 0.11 -2.88 0.00 0.00 179.24 176.15 3gac h LYS 80 N -0.58 0.19 -0.46 0.28 1.57 -1.08 -2.30 116.57 114.20 3gac h LYS 80 Ca -0.06 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3gac h LYS 80 Cb 0.44 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3gac h LYS 80 CO 0.09 0.21 -0.12 0.82 -0.57 0.00 0.00 179.45 179.88 3gac h ILE 81 N 0.13 1.27 -0.83 1.86 2.04 -0.87 -2.20 117.51 118.91 3gac h ILE 81 Ca 0.05 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 3gac h ILE 81 Cb 0.07 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3gac h ILE 81 CO -0.01 0.43 0.44 0.74 0.00 0.00 0.00 178.15 179.75 3gac h THR 82 N 0.73 1.25 -0.39 -0.27 2.02 -1.41 -1.26 112.91 113.57 3gac h THR 82 Ca 0.12 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 3gac h THR 82 Cb 0.67 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3gac h THR 82 CO 0.05 0.28 0.18 0.50 0.37 0.00 0.00 175.52 176.90 3gac h LYS 83 N 1.16 0.57 -0.39 6.66 3.64 -1.26 -0.61 116.57 126.34 3gac h LYS 83 Ca 0.29 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3gac h LYS 83 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3gac h LYS 83 CO -0.04 0.52 0.24 0.82 -2.27 0.00 0.00 179.45 178.72 3gac h ILE 84 N 0.49 1.06 -0.39 2.00 2.04 -1.09 -0.17 117.51 121.45 3gac h ILE 84 Ca 0.13 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3gac h ILE 84 Cb 0.14 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3gac h ILE 84 CO -0.01 0.09 0.14 -0.07 0.00 0.00 0.00 178.15 178.30 3gac h LEU 85 N 0.49 0.55 -0.65 1.44 3.38 -1.08 0.44 115.31 119.88 3gac h LEU 85 Ca 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gac h LEU 85 Cb -0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3gac h LEU 85 CO -0.06 0.59 0.39 -1.28 0.09 0.00 0.00 178.44 178.17 3gac h SER 86 N 0.49 0.78 -0.11 -0.43 0.87 -0.93 0.32 113.55 114.54 3gac h SER 86 Ca 0.13 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3gac h SER 86 Cb 0.22 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3gac h SER 86 CO -0.01 0.61 -0.00 -1.13 -0.53 0.00 0.00 176.83 175.77 3gac h ASN 87 N 0.88 0.19 0.54 6.23 -0.00 -0.81 -2.31 115.58 120.31 3gac h ASN 87 Ca 0.23 -0.32 -0.28 0.00 -0.00 0.00 0.00 56.30 55.93 3gac h ASN 87 Cb -0.03 -0.05 -0.05 0.00 -0.00 0.00 0.00 38.32 38.19 3gac h ASN 87 CO -0.04 0.46 -1.63 0.45 -0.00 0.00 0.00 177.43 176.67 3gac h HIS 88 N -0.08 0.01 0.00 0.67 3.86 -0.84 -3.39 115.15 115.38 3gac h HIS 88 Ca 0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3gac h HIS 88 Cb 0.37 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3gac h HIS 88 CO 0.04 1.01 -0.97 1.28 0.86 0.00 0.00 177.93 180.15 3gac n LEU 89 N -3.09 0.35 -0.00 2.43 4.32 0.11 -5.00 117.00 116.13 3gac n LEU 89 Ca -0.15 -0.31 -0.00 0.00 -0.02 0.00 0.00 56.01 55.53 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 0.45 0.09 -0.00 0.61 -1.22 0.00 0.00 177.39 177.32 3gac n GLY 90 N 1.48 0.38 3.76 -0.72 0.00 -0.87 -5.00 105.19 104.23 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 -1.75 2.54 0.26 1.61 0.11 -1.25 -4.98 120.40 116.93 3gac s VAL 91 Ca 0.00 0.45 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 3gac s VAL 91 Cb 0.00 -3.25 -0.09 0.00 -1.53 0.00 0.00 36.38 31.50 3gac s VAL 91 CO 0.00 0.04 1.12 -0.54 -3.33 0.00 0.00 175.10 172.39 3gac s LYS 92 N -2.46 4.60 0.35 1.54 1.02 -1.26 -4.23 119.74 119.30 3gac s LYS 92 Ca 0.61 1.82 0.11 0.00 0.02 0.00 0.00 55.97 58.53 3gac s LYS 92 Cb -0.37 -3.20 0.89 0.00 -0.52 0.00 0.00 37.83 34.62 3gac s LYS 92 CO 0.47 0.14 1.81 -1.35 -0.92 0.00 0.00 175.35 175.50 3gac h PRO 93 N 4.12 0.60 0.00 -1.68 0.11 -1.95 0.49 132.00 133.69 3gac h PRO 93 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gac h PRO 93 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gac h PRO 93 CO 0.68 0.39 0.00 2.89 -0.21 0.00 0.00 178.00 181.76 3gac n ARG 94 N -4.66 0.14 -2.09 1.05 1.85 -1.26 -1.98 116.66 109.72 3gac n ARG 94 Ca 0.22 0.19 -0.24 0.00 -1.00 0.00 0.00 57.85 57.02 3gac n ARG 94 Cb 0.64 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.57 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 -1.29 3.58 -3.88 2.89 1.74 0.16 -4.96 116.66 114.90 3gac n ARG 95 Ca 0.05 -4.21 -0.28 0.00 -0.77 0.00 0.00 57.85 52.64 3gac n ARG 95 Cb 0.08 -2.27 -0.17 0.00 -1.02 0.00 0.00 32.46 29.08 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 -4.72 1.04 -0.11 1.55 1.01 -0.84 -0.90 120.40 117.43 3gac s VAL 96 Ca 0.50 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3gac s VAL 96 Cb 0.41 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3gac s VAL 96 CO 0.01 0.18 0.01 -0.31 0.00 0.00 0.00 175.10 175.00 3gac s TYR 97 N 1.67 3.19 -0.08 5.22 1.51 -0.44 -5.02 117.35 123.41 3gac s TYR 97 Ca 0.02 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 3gac s TYR 97 Cb -0.14 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 39.88 3gac s TYR 97 CO -0.08 0.41 -0.09 0.42 -1.11 0.00 0.00 175.55 175.10 3gac s ILE 98 N -0.63 1.00 -0.16 2.71 1.01 -1.26 -0.82 121.20 123.04 3gac s ILE 98 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3gac s ILE 98 Cb -0.12 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3gac s ILE 98 CO 0.02 0.34 -0.02 -0.70 0.00 0.00 0.00 174.94 174.58 3gac s GLU 99 N 1.07 3.70 -0.17 2.79 2.12 0.56 -4.98 118.70 123.80 3gac s GLU 99 Ca -0.07 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.71 3gac s GLU 99 Cb -0.14 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 3gac s GLU 99 CO -0.01 0.26 0.03 -0.06 -0.54 0.00 0.00 175.26 174.94 3gac s PHE 100 N 0.32 3.19 -0.10 5.30 0.08 -1.26 -0.67 117.98 124.84 3gac s PHE 100 Ca -0.03 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.01 3gac s PHE 100 Cb -0.14 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 3gac s PHE 100 CO 0.02 0.12 -0.12 1.03 -0.10 0.00 0.00 175.22 176.18 3gac s ARG 101 N 0.29 1.88 0.07 0.44 1.81 0.43 -4.98 118.95 118.89 3gac s ARG 101 Ca 0.01 -0.43 -0.17 0.00 -1.72 0.00 0.00 55.73 53.42 3gac s ARG 101 Cb -0.13 -1.66 -0.06 0.00 -0.45 0.00 0.00 34.95 32.64 3gac s ARG 101 CO 0.01 -0.10 0.52 0.34 -0.68 0.00 0.00 175.30 175.39 3gac s ASP 102 N 1.09 6.93 -0.02 0.23 -1.08 -1.26 -1.28 116.67 121.28 3gac s ASP 102 Ca -0.06 1.13 0.03 0.00 -0.52 0.00 0.00 52.55 53.13 3gac s ASP 102 Cb -0.14 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 3gac s ASP 102 CO -0.02 0.25 -0.10 0.00 0.52 0.00 0.00 175.17 175.82 3gac s SER 104 N 0.12 6.20 0.35 0.00 0.01 -1.26 -4.03 113.70 115.09 3gac s SER 104 Ca -0.02 2.46 0.03 0.00 1.31 0.00 0.00 55.95 59.72 3gac s SER 104 Cb -0.08 -2.62 0.65 0.00 0.21 0.00 0.00 66.02 64.18 3gac s SER 104 CO 0.00 -0.91 2.00 0.00 0.41 0.00 0.00 173.24 174.74 3gac h ALA 105 N 2.30 1.53 0.00 1.44 0.00 -1.92 -1.54 119.26 121.08 3gac h ALA 105 Ca -0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3gac h ALA 105 Cb 1.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gac h ALA 105 CO 0.61 0.41 -0.01 0.37 0.00 0.00 0.00 179.25 180.63 3gac h GLN 106 N 0.78 0.00 -0.68 0.00 4.15 -1.92 -2.61 115.11 114.83 3gac h GLN 106 Ca 0.21 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.41 3gac h GLN 106 Cb -0.03 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.53 3gac h GLN 106 CO -0.04 0.01 0.24 0.09 -1.93 0.00 0.00 178.83 177.20 3gac n ASN 107 N -3.12 4.48 -3.73 -0.69 3.02 -0.58 -4.90 115.26 109.74 3gac n ASN 107 Ca -0.01 -3.28 -0.12 0.00 -0.03 0.00 0.00 54.58 51.14 3gac n ASN 107 Cb 0.20 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.52 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 -3.03 -0.41 0.12 3.10 5.36 -0.99 -4.88 117.98 117.25 3gac s PHE 108 Ca 0.53 0.94 0.10 0.00 -0.96 0.00 0.00 56.93 57.54 3gac s PHE 108 Cb 0.43 0.12 -0.04 0.00 -0.34 0.00 0.00 43.02 43.20 3gac s PHE 108 CO 0.12 -0.25 -0.24 0.00 -1.46 0.00 0.00 175.22 173.39 3gac s ALA 109 N 1.11 2.11 -0.02 11.12 0.00 -1.26 -0.85 121.76 133.97 3gac s ALA 109 Ca -0.08 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 3gac s ALA 109 Cb -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3gac s ALA 109 CO -0.08 0.44 0.04 0.12 0.00 0.00 0.00 175.76 176.28 3gac s PHE 110 N -1.16 -0.02 -1.37 0.00 2.19 0.20 -4.86 117.98 112.95 3gac s PHE 110 Ca 0.11 0.12 -0.07 0.00 0.33 0.00 0.00 56.93 57.42 3gac s PHE 110 Cb -0.10 -0.08 0.04 0.00 -1.31 0.00 0.00 43.02 41.57 3gac s PHE 110 CO 0.05 -0.05 0.50 0.45 1.83 0.00 0.00 175.22 178.00 3gac n SER 111 N 3.54 -4.61 0.00 6.13 2.88 -1.26 -1.68 113.62 118.61 3gac n SER 111 Ca -0.19 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 3gac n SER 111 Cb 0.56 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 60.24 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 -1.27 0.76 3.06 0.46 0.00 -1.26 -5.03 105.19 101.90 3gac n GLY 112 Ca -0.06 0.00 -0.19 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 -2.53 1.23 0.47 1.61 0.01 -0.68 -5.11 113.70 108.70 3gac s SER 113 Ca 0.00 -0.27 -0.24 0.00 1.31 0.00 0.00 55.95 56.75 3gac s SER 113 Cb 0.00 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.05 3gac s SER 113 CO 0.00 0.07 1.34 -0.76 0.41 0.00 0.00 173.24 174.30 3gac s LEU 114 N -0.54 4.04 0.85 2.44 1.43 -1.26 -0.63 118.68 125.01 3gac s LEU 114 Ca 0.02 2.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 3gac s LEU 114 Cb -0.05 -4.08 0.10 0.00 0.03 0.00 0.00 46.19 42.19 3gac s LEU 114 CO 0.00 -1.18 1.10 -0.36 0.23 0.00 0.00 176.35 176.14 3gac s PHE 115 N -1.30 2.63 0.00 0.29 2.99 -0.03 -4.84 117.98 117.72 3gac s PHE 115 Ca 0.64 1.10 0.00 0.00 0.00 0.00 0.00 56.93 58.67 3gac s PHE 115 Cb -0.39 -3.19 0.00 0.00 0.00 0.00 0.00 43.02 39.44 3gac s PHE 115 CO 0.49 -2.08 0.00 0.41 -0.00 0.00 0.00 175.22 174.04 3gac n GLY 116 N -1.88 -0.45 0.36 4.36 0.00 -1.26 -3.75 105.19 102.57 3gac n GLY 116 Ca 0.07 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.54 3gac n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36