#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 1.08 2.97 -0.22 0.00 2.02 0.25 -1.18 118.70 123.62 3gac s GLU 5 Ca -0.02 -1.21 -0.15 0.00 0.02 0.00 0.00 54.97 53.61 3gac s GLU 5 Cb -0.20 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 29.94 3gac s GLU 5 CO -0.07 -0.90 0.37 -1.17 0.02 0.00 0.00 175.26 173.51 3gac s LEU 6 N 1.65 4.13 -0.15 1.80 2.96 -0.19 -0.91 118.68 127.97 3gac s LEU 6 Ca 0.04 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 3gac s LEU 6 Cb -0.22 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.02 3gac s LEU 6 CO 0.08 -0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.20 3gac s ILE 7 N 1.42 1.97 0.01 6.68 1.01 0.10 -0.18 121.20 132.21 3gac s ILE 7 Ca 0.17 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 3gac s ILE 7 Cb -0.15 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.59 3gac s ILE 7 CO 0.08 0.53 0.38 0.28 0.00 0.00 0.00 174.94 176.21 3gac s THR 8 N 1.01 0.06 -1.66 2.92 -1.32 -0.67 -0.21 115.64 115.77 3gac s THR 8 Ca -0.03 -0.46 0.20 0.00 -1.21 0.00 0.00 61.69 60.18 3gac s THR 8 Cb -0.15 -0.83 0.64 0.00 -1.51 0.00 0.00 72.50 70.66 3gac s THR 8 CO -0.06 -0.26 1.54 -0.46 -2.21 0.00 0.00 174.62 173.18 3gac n ASN 9 N 0.85 4.04 -4.63 8.08 0.23 -1.17 0.15 115.26 122.82 3gac n ASN 9 Ca -0.20 -2.18 -0.39 0.00 -0.53 0.00 0.00 54.58 51.29 3gac n ASN 9 Cb 0.58 -0.50 -0.09 0.00 -2.08 0.00 0.00 39.78 37.69 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 -1.39 5.20 -0.24 1.53 1.01 -1.26 -4.81 121.20 121.23 3gac s ILE 10 Ca 0.47 0.56 -0.18 0.00 0.00 0.00 0.00 60.65 61.50 3gac s ILE 10 Cb 0.27 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 3gac s ILE 10 CO 0.28 0.20 0.51 -0.55 0.00 0.00 0.00 174.94 175.38 3gac s SER 11 N 1.44 6.46 0.11 3.58 0.15 -1.26 -4.92 113.70 119.25 3gac s SER 11 Ca 0.15 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.39 3gac s SER 11 Cb -0.15 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 3gac s SER 11 CO 0.09 -0.25 -0.10 0.27 1.20 0.00 0.00 173.24 174.45 3gac s ILE 12 N 2.10 0.96 0.84 6.45 -4.36 -1.26 -5.15 121.20 120.79 3gac s ILE 12 Ca 0.22 -1.75 -0.12 0.00 -0.26 0.00 0.00 60.65 58.74 3gac s ILE 12 Cb -0.16 -1.48 0.10 0.00 1.25 0.00 0.00 42.46 42.17 3gac s ILE 12 CO 0.09 -0.62 1.18 -2.65 0.24 0.00 0.00 174.94 173.18 3gac n PRO 13 N 0.36 -0.02 -0.34 0.37 -0.02 -1.26 -4.69 135.00 129.41 3gac n PRO 13 Ca -0.15 0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.45 3gac n PRO 13 Cb 0.59 -2.41 0.19 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.21 0.88 -0.82 2.55 3.32 -2.01 -0.35 116.42 118.78 3gac h ASP 14 Ca -0.45 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 3gac h ASP 14 Cb 1.29 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 3gac h ASP 14 CO 0.44 0.52 0.41 -2.24 -1.72 0.00 0.00 179.24 176.65 3gac h ASP 15 N 1.00 1.06 0.58 6.45 2.03 -1.99 -1.29 116.42 124.25 3gac h ASP 15 Ca 0.43 -0.13 -0.19 0.00 -0.73 0.00 0.00 57.03 56.42 3gac h ASP 15 Cb 0.31 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 3gac h ASP 15 CO -0.22 0.89 -0.83 0.11 -1.03 0.00 0.00 179.24 178.17 3gac h LYS 16 N 1.16 0.18 -0.06 4.15 1.57 -1.68 -1.79 116.57 120.09 3gac h LYS 16 Ca 0.28 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3gac h LYS 16 Cb 0.10 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3gac h LYS 16 CO -0.04 0.91 0.04 0.00 -0.57 0.00 0.00 179.45 179.78 3gac h ALA 17 N 1.03 0.08 -0.06 3.86 0.00 -0.90 -2.34 119.26 120.93 3gac h ALA 17 Ca -0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3gac h ALA 17 Cb 1.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3gac h ALA 17 CO 0.12 -0.38 -0.34 1.96 0.00 0.00 0.00 179.25 180.61 3gac h GLN 18 N 0.02 0.12 -0.52 0.00 4.20 -1.21 -2.06 115.11 115.66 3gac h GLN 18 Ca 0.02 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3gac h GLN 18 Cb 0.07 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3gac h GLN 18 CO -0.00 0.46 0.16 -0.97 -0.67 0.00 0.00 178.83 177.80 3gac h ASN 19 N 0.11 0.76 -0.61 1.46 -1.24 -1.23 -0.04 115.58 114.79 3gac h ASN 19 Ca 0.01 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 56.81 3gac h ASN 19 Cb 0.66 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 3gac h ASN 19 CO 0.05 0.77 0.37 0.00 -1.29 0.00 0.00 177.43 177.33 3gac h ALA 20 N 1.02 0.77 -0.76 1.57 0.00 -1.18 -2.41 119.26 118.29 3gac h ALA 20 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3gac h ALA 20 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3gac h ALA 20 CO -0.00 0.25 0.27 -0.07 0.00 0.00 0.00 179.25 179.69 3gac h LEU 21 N 0.82 1.07 -0.75 0.00 3.38 -1.20 -1.59 115.31 117.04 3gac h LEU 21 Ca 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gac h LEU 21 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3gac h LEU 21 CO -0.04 0.98 0.46 0.77 0.09 0.00 0.00 178.44 180.70 3gac h SER 22 N 1.12 0.90 -0.54 -0.43 4.64 -0.80 0.30 113.55 118.74 3gac h SER 22 Ca 0.25 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 3gac h SER 22 Cb 0.27 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3gac h SER 22 CO -0.01 0.69 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.21 3gac h GLU 23 N 1.03 1.03 -0.63 4.77 4.39 -1.25 -1.68 114.58 122.24 3gac h GLU 23 Ca 0.27 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3gac h GLU 23 Cb -0.05 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3gac h GLU 23 CO -0.05 1.06 0.22 0.82 -1.16 0.00 0.00 179.01 179.90 3gac h ILE 24 N 0.92 1.24 -0.74 3.13 2.04 -0.81 -2.29 117.51 120.99 3gac h ILE 24 Ca 0.14 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.24 3gac h ILE 24 Cb 0.67 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3gac h ILE 24 CO 0.05 0.31 0.47 -0.33 0.00 0.00 0.00 178.15 178.65 3gac h GLU 25 N 0.89 0.91 -0.30 2.37 5.08 -0.22 -1.19 114.58 122.11 3gac h GLU 25 Ca 0.21 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3gac h GLU 25 Cb 0.25 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3gac h GLU 25 CO -0.01 0.60 0.10 -0.44 -1.00 0.00 0.00 179.01 178.25 3gac h ASP 26 N 0.93 0.09 -0.30 1.42 5.19 -1.12 -0.65 116.42 121.98 3gac h ASP 26 Ca 0.29 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 3gac h ASP 26 Cb -0.01 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 3gac h ASP 26 CO -0.10 0.09 0.18 0.00 -3.12 0.00 0.00 179.24 176.29 3gac h ALA 27 N 1.20 0.38 -0.33 3.45 0.00 -0.98 -0.07 119.26 122.90 3gac h ALA 27 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3gac h ALA 27 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gac h ALA 27 CO -0.15 -0.12 0.20 0.82 0.00 0.00 0.00 179.25 180.01 3gac h ILE 28 N 0.38 1.05 -0.35 0.00 2.04 -1.07 0.68 117.51 120.24 3gac h ILE 28 Ca 0.11 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3gac h ILE 28 Cb 0.02 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3gac h ILE 28 CO -0.02 0.07 0.17 -1.28 0.00 0.00 0.00 178.15 177.10 3gac h SER 29 N 0.41 0.26 0.26 1.72 0.87 -0.86 -0.10 113.55 116.11 3gac h SER 29 Ca 0.13 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3gac h SER 29 Cb -0.01 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3gac h SER 29 CO -0.05 0.19 -0.13 -1.13 -0.53 0.00 0.00 176.83 175.18 3gac h ASN 30 N 0.36 -0.30 -0.10 6.23 -0.00 -0.68 -1.99 115.58 119.10 3gac h ASN 30 Ca 0.15 -0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.36 3gac h ASN 30 Cb 0.05 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 3gac h ASN 30 CO -0.10 -0.20 -0.28 0.58 -0.00 0.00 0.00 177.43 177.42 3gac h VAL 31 N -0.37 1.39 -0.00 2.57 2.07 -0.69 -3.20 116.25 118.02 3gac h VAL 31 Ca -0.04 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.88 3gac h VAL 31 Cb 0.28 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3gac h VAL 31 CO 0.06 0.47 -0.10 0.18 0.02 0.00 0.00 177.57 178.19 3gac n LEU 32 N -4.44 0.24 -3.61 2.57 4.77 -0.07 -4.93 117.00 111.52 3gac n LEU 32 Ca -0.07 0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 3gac n LEU 32 Cb 0.47 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3gac n LEU 32 CO 0.42 0.05 0.15 0.61 -1.33 0.00 0.00 177.39 177.29 3gac n GLY 33 N 1.37 -0.46 3.20 -0.72 0.00 -0.78 -4.99 105.19 102.81 3gac n GLY 33 Ca 0.11 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.06 1.68 0.67 1.61 1.02 -0.99 -5.06 119.74 112.61 3gac s LYS 34 Ca 0.37 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.49 3gac s LYS 34 Cb -0.17 -1.59 0.01 0.00 -0.52 0.00 0.00 37.83 35.56 3gac s LYS 34 CO 0.76 0.40 1.19 -2.14 -0.92 0.00 0.00 175.35 174.63 3gac s PRO 35 N -0.38 2.56 0.46 -1.68 0.02 -1.26 -4.31 135.00 130.41 3gac s PRO 35 Ca 0.05 1.70 0.18 0.00 0.02 0.00 0.00 61.00 62.95 3gac s PRO 35 Cb -0.09 -1.89 1.15 0.00 0.02 0.00 0.00 34.50 33.69 3gac s PRO 35 CO -0.00 -1.50 1.97 0.28 -0.33 0.00 0.00 177.00 177.42 3gac h VAL 36 N 0.17 0.82 -0.60 3.83 2.07 -1.95 -1.96 116.25 118.63 3gac h VAL 36 Ca -0.48 -0.10 0.17 0.00 0.82 0.00 0.00 66.70 67.11 3gac h VAL 36 Cb 1.29 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3gac h VAL 36 CO 0.52 0.05 0.71 0.00 0.02 0.00 0.00 177.57 178.87 3gac h ALA 37 N 1.70 2.37 -0.06 1.67 0.00 -2.02 -0.11 119.26 122.80 3gac h ALA 37 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gac h ALA 37 Cb 0.75 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gac h ALA 37 CO -0.07 -1.02 0.00 0.66 0.00 0.00 0.00 179.25 178.83 3gac n TYR 38 N -3.50 0.05 -3.69 0.00 4.01 -0.73 -4.97 117.16 108.33 3gac n TYR 38 Ca 0.12 -0.03 -0.37 0.00 -0.16 0.00 0.00 57.90 57.47 3gac n TYR 38 Cb 0.92 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.85 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 -1.78 5.07 -0.11 -0.72 1.01 -0.06 -0.65 121.20 123.97 3gac s ILE 39 Ca 0.27 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 3gac s ILE 39 Cb 0.19 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3gac s ILE 39 CO 0.28 0.32 0.09 -0.32 0.00 0.00 0.00 174.94 175.31 3gac s MET 40 N 1.35 3.31 0.03 2.79 -2.45 0.28 -4.97 119.30 119.64 3gac s MET 40 Ca 0.07 -0.22 -0.02 0.00 -1.25 0.00 0.00 55.69 54.27 3gac s MET 40 Cb -0.15 -3.06 -0.02 0.00 1.25 0.00 0.00 34.83 32.85 3gac s MET 40 CO 0.06 0.74 -0.00 -1.54 1.05 0.00 0.00 175.02 175.34 3gac s SER 41 N -0.95 0.31 -0.07 1.11 1.04 -1.26 -0.02 113.70 113.86 3gac s SER 41 Ca 0.14 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 55.75 3gac s SER 41 Cb -0.12 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.20 3gac s SER 41 CO 0.03 -0.45 0.34 0.21 0.98 0.00 0.00 173.24 174.35 3gac s ASN 42 N -2.13 -0.29 -0.36 7.02 2.47 -0.32 -4.94 114.94 116.39 3gac s ASN 42 Ca -0.05 0.41 -0.05 0.00 0.42 0.00 0.00 52.86 53.58 3gac s ASN 42 Cb -0.02 0.52 0.07 0.00 -1.45 0.00 0.00 41.25 40.37 3gac s ASN 42 CO -0.05 -0.29 0.13 -0.47 -3.72 0.00 0.00 177.10 172.71 3gac s TYR 43 N -0.57 3.36 -0.40 0.43 5.04 -1.26 -1.02 117.35 122.92 3gac s TYR 43 Ca -0.07 -1.81 -0.09 0.00 -2.44 0.00 0.00 57.07 52.67 3gac s TYR 43 Cb -0.04 -2.61 0.07 0.00 0.35 0.00 0.00 41.96 39.73 3gac s TYR 43 CO 0.02 -0.83 0.23 0.34 -1.34 0.00 0.00 175.55 173.97 3gac s ASP 44 N 1.62 5.58 -0.37 4.32 -1.08 0.74 -5.02 116.67 122.46 3gac s ASP 44 Ca 0.01 -1.40 -0.29 0.00 -0.52 0.00 0.00 52.55 50.35 3gac s ASP 44 Cb -0.21 -1.97 0.01 0.00 -1.46 0.00 0.00 42.92 39.29 3gac s ASP 44 CO -0.00 -0.48 1.31 -0.47 0.52 0.00 0.00 175.17 176.04 3gac s TYR 45 N 1.43 2.62 -0.44 -5.34 5.04 -1.26 -1.67 117.35 117.72 3gac s TYR 45 Ca 0.02 0.79 0.03 0.00 -2.44 0.00 0.00 57.07 55.47 3gac s TYR 45 Cb -0.22 -4.13 0.12 0.00 0.35 0.00 0.00 41.96 38.08 3gac s TYR 45 CO 0.03 -1.71 0.18 -0.65 -1.34 0.00 0.00 175.55 172.06 3gac s GLN 46 N 4.48 1.64 0.50 4.97 -1.52 0.12 -4.96 119.66 124.89 3gac s GLN 46 Ca 0.56 -2.20 0.17 0.00 -1.95 0.00 0.00 55.36 51.94 3gac s GLN 46 Cb -0.14 -3.04 1.23 0.00 -0.22 0.00 0.00 33.01 30.84 3gac s GLN 46 CO 0.28 -1.06 2.09 1.57 -0.25 0.00 0.00 175.29 177.91 3gac h LYS 47 N 6.97 0.10 -0.60 2.91 2.10 -1.87 -2.06 116.57 124.12 3gac h LYS 47 Ca -0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3gac h LYS 47 Cb 0.94 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 3gac h LYS 47 CO 0.59 0.07 0.00 0.09 -2.00 0.00 0.00 179.45 178.20 3gac n ASN 48 N -4.49 3.20 -4.73 7.07 3.02 -1.26 -4.91 115.26 113.16 3gac n ASN 48 Ca 0.02 -2.01 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 3gac n ASN 48 Cb 0.23 -0.40 -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 -1.02 4.36 0.10 3.41 2.96 -0.78 -4.99 118.68 122.72 3gac s LEU 49 Ca 0.40 2.88 0.10 0.00 -0.22 0.00 0.00 54.13 57.28 3gac s LEU 49 Cb 0.21 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3gac s LEU 49 CO 0.27 -0.93 -0.25 -0.13 -1.32 0.00 0.00 176.35 173.99 3gac s ARG 50 N 0.42 1.38 -0.10 1.98 0.52 -1.26 -4.51 118.95 117.37 3gac s ARG 50 Ca 0.69 -1.23 -0.09 0.00 -0.52 0.00 0.00 55.73 54.58 3gac s ARG 50 Cb -0.48 -1.73 0.03 0.00 0.52 0.00 0.00 34.95 33.28 3gac s ARG 50 CO 0.39 0.42 0.26 0.12 0.02 0.00 0.00 175.30 176.50 3gac s PHE 51 N -1.03 -0.28 -1.39 -0.53 2.19 -0.55 -4.89 117.98 111.49 3gac s PHE 51 Ca 0.11 0.69 -0.09 0.00 0.33 0.00 0.00 56.93 57.98 3gac s PHE 51 Cb -0.10 0.10 0.06 0.00 -1.31 0.00 0.00 43.02 41.76 3gac s PHE 51 CO 0.05 -0.14 0.58 0.45 1.83 0.00 0.00 175.22 177.99 3gac n SER 52 N 2.98 -4.53 -0.20 6.13 2.88 -1.26 -1.90 113.62 117.73 3gac n SER 52 Ca -0.13 -0.40 -0.03 0.00 -1.33 0.00 0.00 58.87 56.98 3gac n SER 52 Cb 0.58 -3.70 -0.01 0.00 -0.75 0.00 0.00 64.21 60.33 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 -1.33 0.58 3.04 0.46 0.00 -1.26 -5.02 105.19 101.67 3gac n GLY 53 Ca -0.04 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.55 0.51 -0.05 1.61 1.04 -0.80 -5.03 113.70 108.44 3gac s SER 54 Ca 0.00 -0.68 0.09 0.00 0.48 0.00 0.00 55.95 55.83 3gac s SER 54 Cb 0.00 0.11 0.34 0.00 0.10 0.00 0.00 66.02 66.57 3gac s SER 54 CO 0.00 -0.37 1.18 -3.20 0.98 0.00 0.00 173.24 171.82 3gac n ASN 55 N 1.04 2.42 -4.69 7.02 4.05 -1.26 -1.48 115.26 122.36 3gac n ASN 55 Ca -0.20 -2.19 -0.36 0.00 0.45 0.00 0.00 54.58 52.28 3gac n ASN 55 Cb 0.57 -0.38 0.08 0.00 1.23 0.00 0.00 39.78 41.27 3gac n ASN 55 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3gac n GLU 56 N 0.41 0.83 -1.51 1.20 2.13 -1.26 -4.84 120.64 117.60 3gac n GLU 56 Ca 0.12 0.34 -0.59 0.00 0.66 0.00 0.00 57.16 57.69 3gac n GLU 56 Cb 0.46 -2.41 -0.08 0.00 0.27 0.00 0.00 31.44 29.68 3gac n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gac n GLY 57 N 0.95 -0.08 3.39 8.31 0.00 -1.26 -4.81 105.19 111.70 3gac n GLY 57 Ca 0.15 0.82 -0.15 0.00 0.00 0.00 0.00 46.02 46.83 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 1.19 -0.46 -0.04 1.61 5.04 -1.26 -4.67 117.35 118.76 3gac s TYR 58 Ca 0.91 0.87 0.04 0.00 -2.44 0.00 0.00 57.07 56.46 3gac s TYR 58 Cb -1.29 0.24 -0.00 0.00 0.35 0.00 0.00 41.96 41.25 3gac s TYR 58 CO 0.64 -0.44 -0.17 0.00 -1.34 0.00 0.00 175.55 174.23 3gac s PHE 60 N -0.01 2.66 -0.14 0.00 5.36 0.70 -1.17 117.98 125.38 3gac s PHE 60 Ca -0.02 -0.88 0.02 0.00 -0.96 0.00 0.00 56.93 55.08 3gac s PHE 60 Cb -0.11 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3gac s PHE 60 CO 0.02 -0.33 -0.19 0.08 -1.46 0.00 0.00 175.22 173.33 3gac s VAL 61 N 0.33 2.31 -0.25 3.12 1.01 -0.07 0.03 120.40 126.88 3gac s VAL 61 Ca -0.15 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 3gac s VAL 61 Cb -0.17 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3gac s VAL 61 CO 0.08 0.54 0.05 -0.60 0.00 0.00 0.00 175.10 175.17 3gac s ARG 62 N 0.77 3.51 -0.28 2.72 3.52 -0.09 -0.05 118.95 129.05 3gac s ARG 62 Ca -0.07 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.92 3gac s ARG 62 Cb -0.16 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 29.98 3gac s ARG 62 CO -0.00 -0.24 0.01 -1.17 -0.81 0.00 0.00 175.30 173.09 3gac s LEU 63 N 1.57 3.67 -0.16 -0.88 2.96 0.59 -0.59 118.68 125.84 3gac s LEU 63 Ca 0.06 -0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 52.99 3gac s LEU 63 Cb -0.15 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3gac s LEU 63 CO 0.02 -0.20 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.94 3gac s THR 64 N 1.37 3.99 0.01 3.68 2.01 0.22 -0.30 115.64 126.63 3gac s THR 64 Ca -0.00 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 3gac s THR 64 Cb -0.18 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 3gac s THR 64 CO -0.01 0.48 0.04 -0.55 -0.69 0.00 0.00 174.62 173.89 3gac s SER 65 N 0.41 0.12 -0.70 3.53 0.15 -0.20 -0.25 113.70 116.76 3gac s SER 65 Ca -0.03 -0.30 -0.23 0.00 0.70 0.00 0.00 55.95 56.09 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 0.03 -0.28 1.03 -0.63 1.20 0.00 0.00 173.24 174.59 3gac s ILE 66 N -1.19 4.26 0.11 6.45 1.01 -1.26 -1.12 121.20 129.47 3gac s ILE 66 Ca -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3gac s ILE 66 Cb -0.08 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.66 3gac s ILE 66 CO -0.00 -1.53 0.00 0.61 0.00 0.00 0.00 174.94 174.02 3gac n GLY 67 N 5.39 -2.02 2.48 6.18 0.00 -1.26 -4.96 105.19 111.01 3gac n GLY 67 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.78 0.89 3.44 -0.02 0.00 -1.26 -4.98 105.19 100.48 3gac n GLY 68 Ca -0.01 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 -3.54 4.68 0.24 -0.61 -1.09 -1.26 -4.66 121.20 114.96 3gac s ILE 69 Ca 0.00 -0.49 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 3gac s ILE 69 Cb 0.00 -4.46 0.03 0.00 -1.58 0.00 0.00 42.46 36.45 3gac s ILE 69 CO 0.00 -1.06 0.65 0.54 -1.23 0.00 0.00 174.94 173.84 3gac s ASN 70 N 3.16 -0.30 0.20 3.58 2.20 -1.26 -5.02 114.94 117.50 3gac s ASN 70 Ca 0.18 -0.51 -0.10 0.00 -0.94 0.00 0.00 52.86 51.49 3gac s ASN 70 Cb -0.19 0.68 0.25 0.00 -2.00 0.00 0.00 41.25 39.99 3gac s ASN 70 CO 0.11 -1.23 1.76 -0.09 -2.94 0.00 0.00 177.10 174.72 3gac h ARG 71 N 2.04 0.45 0.33 3.55 2.43 -1.98 0.15 114.38 121.36 3gac h ARG 71 Ca -0.24 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 3gac h ARG 71 Cb 1.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3gac h ARG 71 CO 0.29 0.30 -0.16 1.03 -1.51 0.00 0.00 179.97 179.91 3gac h SER 72 N 0.46 -0.38 -0.58 -3.80 0.87 -1.97 0.20 113.55 108.35 3gac h SER 72 Ca 0.30 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 3gac h SER 72 Cb 0.32 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3gac h SER 72 CO -0.26 -0.17 0.14 0.78 -0.53 0.00 0.00 176.83 176.79 3gac h ASN 73 N -0.57 0.88 -0.07 6.23 2.35 -1.80 -2.01 115.58 120.59 3gac h ASN 73 Ca -0.05 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3gac h ASN 73 Cb 0.42 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3gac h ASN 73 CO 0.07 0.89 0.05 0.78 -1.65 0.00 0.00 177.43 177.57 3gac h ASN 74 N 0.84 0.09 -0.17 5.81 4.21 -0.64 -0.36 115.58 125.36 3gac h ASN 74 Ca 0.18 -0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.69 3gac h ASN 74 Cb 0.35 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.50 3gac h ASN 74 CO 0.00 0.09 0.01 -1.28 -1.29 0.00 0.00 177.43 174.96 3gac h SER 75 N 0.08 -0.05 -0.16 5.81 0.87 -0.91 0.93 113.55 120.12 3gac h SER 75 Ca 0.03 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3gac h SER 75 Cb 0.01 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3gac h SER 75 CO -0.01 0.00 0.10 -1.28 -0.53 0.00 0.00 176.83 175.12 3gac h SER 76 N 0.07 0.19 -0.34 6.23 0.87 -1.20 -1.98 113.55 117.38 3gac h SER 76 Ca 0.08 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3gac h SER 76 Cb 0.09 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3gac h SER 76 CO -0.13 0.16 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.13 3gac h LEU 77 N 0.20 0.79 -0.61 2.23 3.38 -0.97 -1.38 115.31 118.95 3gac h LEU 77 Ca 0.06 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3gac h LEU 77 Cb 0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3gac h LEU 77 CO -0.01 0.94 0.36 0.00 0.09 0.00 0.00 178.44 179.82 3gac h ALA 78 N 1.13 0.80 0.43 1.53 0.00 -0.60 0.81 119.26 123.35 3gac h ALA 78 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gac h ALA 78 Cb 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gac h ALA 78 CO 0.04 0.07 -0.21 0.22 0.00 0.00 0.00 179.25 179.38 3gac h ASP 79 N 0.69 -0.49 -0.17 0.00 3.58 -1.18 -2.66 116.42 116.21 3gac h ASP 79 Ca 0.26 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 3gac h ASP 79 Cb 0.08 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 3gac h ASP 79 CO -0.13 -0.24 0.08 0.11 -2.88 0.00 0.00 179.24 176.18 3gac h LYS 80 N -0.71 0.25 -0.50 0.28 1.57 -1.09 -2.28 116.57 114.09 3gac h LYS 80 Ca -0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3gac h LYS 80 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3gac h LYS 80 CO 0.10 0.30 0.18 0.82 -0.57 0.00 0.00 179.45 180.28 3gac h ILE 81 N 0.13 1.22 -0.54 1.86 2.04 -0.94 -1.65 117.51 119.63 3gac h ILE 81 Ca 0.06 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3gac h ILE 81 Cb 0.14 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3gac h ILE 81 CO -0.01 0.26 0.32 0.74 0.00 0.00 0.00 178.15 179.47 3gac h THR 82 N 0.67 1.17 -0.53 -0.27 2.02 -1.43 -0.48 112.91 114.05 3gac h THR 82 Ca 0.16 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3gac h THR 82 Cb 0.23 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3gac h THR 82 CO -0.01 0.18 0.30 0.11 0.37 0.00 0.00 175.52 176.47 3gac h LYS 83 N 0.73 0.57 -0.25 6.66 1.57 -1.24 0.10 116.57 124.72 3gac h LYS 83 Ca 0.19 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3gac h LYS 83 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3gac h LYS 83 CO -0.03 0.38 0.14 0.82 -0.57 0.00 0.00 179.45 180.19 3gac h ILE 84 N 0.59 1.10 -0.49 1.86 2.04 -0.85 -0.97 117.51 120.79 3gac h ILE 84 Ca 0.23 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3gac h ILE 84 Cb 0.08 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3gac h ILE 84 CO -0.13 0.10 0.23 -0.07 0.00 0.00 0.00 178.15 178.28 3gac h LEU 85 N 0.30 0.64 0.03 1.44 3.38 -0.84 0.30 115.31 120.56 3gac h LEU 85 Ca 0.09 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3gac h LEU 85 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3gac h LEU 85 CO -0.02 0.59 -0.11 -1.28 0.09 0.00 0.00 178.44 177.72 3gac h SER 86 N 0.64 -0.31 -0.09 -0.43 0.87 -0.84 0.23 113.55 113.61 3gac h SER 86 Ca 0.17 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3gac h SER 86 Cb 0.13 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3gac h SER 86 CO -0.02 -0.16 0.05 0.78 -0.53 0.00 0.00 176.83 176.95 3gac h ASN 87 N -0.20 0.12 0.57 6.23 2.35 -0.97 -0.77 115.58 122.91 3gac h ASN 87 Ca 0.03 -0.07 -0.28 0.00 -0.55 0.00 0.00 56.30 55.43 3gac h ASN 87 Cb 0.24 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3gac h ASN 87 CO -0.09 0.15 -1.37 0.45 -1.65 0.00 0.00 177.43 174.92 3gac h HIS 88 N 0.07 0.42 0.00 1.19 3.86 -0.89 -3.38 115.15 116.43 3gac h HIS 88 Ca 0.03 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 3gac h HIS 88 Cb 0.06 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3gac h HIS 88 CO -0.05 1.29 -0.92 1.28 0.86 0.00 0.00 177.93 180.40 3gac n LEU 89 N -3.46 0.41 0.00 2.43 4.32 0.79 -4.99 117.00 116.49 3gac n LEU 89 Ca -0.12 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.53 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 0.51 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 3gac n GLY 90 N 1.44 0.48 3.77 -0.72 0.00 -0.29 -5.00 105.19 104.86 3gac n GLY 90 Ca 0.01 0.00 -0.39 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 -2.12 2.67 0.22 1.61 0.11 -1.25 -4.98 120.40 116.66 3gac s VAL 91 Ca 0.00 0.60 -0.30 0.00 -2.93 0.00 0.00 61.98 59.36 3gac s VAL 91 Cb 0.00 -3.36 -0.09 0.00 -1.53 0.00 0.00 36.38 31.41 3gac s VAL 91 CO 0.00 0.09 1.27 -0.54 -3.33 0.00 0.00 175.10 172.59 3gac s LYS 92 N -2.22 4.42 0.41 1.54 1.02 -1.26 -4.25 119.74 119.40 3gac s LYS 92 Ca 0.56 2.02 0.17 0.00 0.02 0.00 0.00 55.97 58.74 3gac s LYS 92 Cb -0.37 -3.18 1.05 0.00 -0.52 0.00 0.00 37.83 34.81 3gac s LYS 92 CO 0.48 -0.17 1.85 -1.35 -0.92 0.00 0.00 175.35 175.23 3gac h PRO 93 N 4.93 0.42 -0.10 -1.68 0.11 -1.94 0.64 132.00 134.38 3gac h PRO 93 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gac h PRO 93 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gac h PRO 93 CO 0.74 0.28 0.00 2.89 -0.21 0.00 0.00 178.00 181.70 3gac n ARG 94 N -4.53 0.87 -2.18 1.05 1.85 -1.26 -2.00 116.66 110.46 3gac n ARG 94 Ca 0.20 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.93 3gac n ARG 94 Cb 0.69 -1.05 0.05 0.00 -1.05 0.00 0.00 32.46 31.10 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 -0.43 2.58 -3.91 2.89 1.74 0.21 -5.00 116.66 114.74 3gac n ARG 95 Ca 0.00 -3.74 -0.28 0.00 -0.77 0.00 0.00 57.85 53.06 3gac n ARG 95 Cb 0.03 -1.86 -0.17 0.00 -1.02 0.00 0.00 32.46 29.44 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 -3.95 1.09 -0.09 1.55 1.01 -0.85 -0.74 120.40 118.43 3gac s VAL 96 Ca 0.40 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 3gac s VAL 96 Cb 0.37 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3gac s VAL 96 CO -0.01 0.28 -0.01 -0.31 0.00 0.00 0.00 175.10 175.05 3gac s TYR 97 N 1.67 3.12 -0.07 5.22 1.51 -0.32 -5.01 117.35 123.47 3gac s TYR 97 Ca 0.03 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 3gac s TYR 97 Cb -0.14 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 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 -0.82 0.73 -0.14 2.71 1.01 -1.26 -0.89 121.20 122.55 3gac s ILE 98 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 3gac s ILE 98 Cb -0.11 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3gac s ILE 98 CO 0.02 0.29 0.02 -0.70 0.00 0.00 0.00 174.94 174.57 3gac s GLU 99 N 1.22 3.52 -0.19 2.79 2.12 0.93 -4.98 118.70 124.12 3gac s GLU 99 Ca -0.06 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.84 3gac s GLU 99 Cb -0.14 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 3gac s GLU 99 CO -0.02 0.45 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.07 3gac s PHE 100 N -0.17 3.00 -0.10 5.30 0.08 -1.26 -0.30 117.98 124.53 3gac s PHE 100 Ca 0.06 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.58 3gac s PHE 100 Cb -0.12 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3gac s PHE 100 CO 0.02 -0.28 -0.21 1.03 -0.10 0.00 0.00 175.22 175.67 3gac s ARG 101 N 0.97 2.79 0.12 0.44 1.81 0.59 -4.98 118.95 120.69 3gac s ARG 101 Ca 0.01 -0.79 -0.17 0.00 -1.72 0.00 0.00 55.73 53.06 3gac s ARG 101 Cb -0.14 -2.15 -0.07 0.00 -0.45 0.00 0.00 34.95 32.14 3gac s ARG 101 CO 0.01 0.13 0.57 0.34 -0.68 0.00 0.00 175.30 175.67 3gac s ASP 102 N 0.47 6.94 -0.03 0.23 2.15 -1.26 -1.04 116.67 124.13 3gac s ASP 102 Ca -0.17 1.18 0.03 0.00 0.43 0.00 0.00 52.55 54.02 3gac s ASP 102 Cb -0.17 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 3gac s ASP 102 CO 0.07 0.17 -0.10 0.00 -0.17 0.00 0.00 175.17 175.13 3gac s SER 104 N 0.28 6.46 0.50 0.00 1.04 -1.26 -4.11 113.70 116.60 3gac s SER 104 Ca -0.05 1.89 0.19 0.00 0.48 0.00 0.00 55.95 58.45 3gac s SER 104 Cb -0.10 -2.56 1.26 0.00 0.10 0.00 0.00 66.02 64.72 3gac s SER 104 CO 0.01 -0.70 2.09 0.00 0.98 0.00 0.00 173.24 175.62 3gac h ALA 105 N 1.64 1.70 0.00 5.32 0.00 -1.96 -0.71 119.26 125.25 3gac h ALA 105 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3gac h ALA 105 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gac h ALA 105 CO 0.59 0.12 0.00 0.37 0.00 0.00 0.00 179.25 180.33 3gac h GLN 106 N 0.00 0.00 -0.45 0.00 4.15 -1.93 -2.11 115.11 114.77 3gac h GLN 106 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 3gac h GLN 106 Cb 0.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3gac h GLN 106 CO 0.01 0.00 0.03 0.09 -1.93 0.00 0.00 178.83 177.03 3gac n ASN 107 N -3.06 4.72 -3.83 -0.69 3.02 -0.27 -4.90 115.26 110.24 3gac n ASN 107 Ca 0.00 -3.04 -0.13 0.00 -0.03 0.00 0.00 54.58 51.38 3gac n ASN 107 Cb 0.28 -0.63 -0.14 0.00 -0.61 0.00 0.00 39.78 38.68 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 -2.85 -0.01 0.11 3.10 5.36 -1.16 -4.89 117.98 117.65 3gac s PHE 108 Ca 0.49 0.08 0.08 0.00 -0.96 0.00 0.00 56.93 56.62 3gac s PHE 108 Cb 0.39 -0.07 -0.04 0.00 -0.34 0.00 0.00 43.02 42.97 3gac s PHE 108 CO 0.12 -0.04 -0.21 0.00 -1.46 0.00 0.00 175.22 173.64 3gac s ALA 109 N 0.35 1.84 -0.09 11.12 0.00 -1.26 -1.31 121.76 132.41 3gac s ALA 109 Ca -0.03 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 3gac s ALA 109 Cb -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3gac s ALA 109 CO -0.01 0.34 0.22 0.12 0.00 0.00 0.00 175.76 176.44 3gac s PHE 110 N -1.30 -0.27 -1.37 0.00 2.19 0.34 -4.88 117.98 112.69 3gac s PHE 110 Ca 0.08 0.67 -0.07 0.00 0.33 0.00 0.00 56.93 57.93 3gac s PHE 110 Cb -0.09 0.05 0.05 0.00 -1.31 0.00 0.00 43.02 41.72 3gac s PHE 110 CO 0.05 -0.17 0.51 0.45 1.83 0.00 0.00 175.22 177.89 3gac n SER 111 N 3.63 -4.55 0.00 6.13 2.88 -1.26 -2.00 113.62 118.45 3gac n SER 111 Ca -0.19 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 3gac n SER 111 Cb 0.55 -3.73 0.00 0.00 -0.75 0.00 0.00 64.21 60.29 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 -1.28 0.77 3.13 0.46 0.00 -1.26 -5.03 105.19 101.98 3gac n GLY 112 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.57 1.33 0.47 1.61 0.01 -0.85 -5.13 113.70 108.57 3gac s SER 113 Ca 0.00 -0.62 -0.23 0.00 1.31 0.00 0.00 55.95 56.41 3gac s SER 113 Cb 0.00 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.15 3gac s SER 113 CO 0.00 -0.15 1.22 -0.76 0.41 0.00 0.00 173.24 173.96 3gac s LEU 114 N -1.78 4.00 0.14 2.44 1.43 -1.26 -0.50 118.68 123.16 3gac s LEU 114 Ca -0.04 2.43 -0.13 0.00 -1.03 0.00 0.00 54.13 55.37 3gac s LEU 114 Cb -0.09 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 41.93 3gac s LEU 114 CO 0.01 -1.04 1.58 -0.26 0.23 0.00 0.00 176.35 176.88 3gac h PHE 115 N 2.01 0.93 0.00 0.29 0.05 -1.22 -3.46 116.94 115.53 3gac h PHE 115 Ca -0.50 -0.17 0.00 0.00 3.82 0.00 0.00 57.97 61.12 3gac h PHE 115 Cb 1.26 -0.24 0.00 0.00 2.00 0.00 0.00 35.95 38.97 3gac h PHE 115 CO 0.52 0.90 0.00 0.41 -0.18 0.00 0.00 178.31 179.95