#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg5 h LYS 35 N 0.00 0.44 -0.37 2.12 3.11 -2.05 -1.77 116.57 118.05 2wg5 h LYS 35 Ca 0.00 -0.27 0.02 0.00 -2.81 0.00 0.00 60.65 57.59 2wg5 h LYS 35 Cb 0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 2wg5 h LYS 35 CO 0.00 0.86 0.20 1.96 -2.81 0.00 0.00 179.45 179.66 2wg5 h GLN 36 N 0.34 0.40 -0.63 1.90 4.20 -2.05 -1.83 115.11 117.44 2wg5 h GLN 36 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2wg5 h GLN 36 Cb 1.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 2wg5 h GLN 36 CO 0.09 0.26 0.36 -0.07 -0.67 0.00 0.00 178.83 178.81 2wg5 h LEU 37 N 0.41 0.77 -0.77 1.46 3.38 -1.97 -1.23 115.31 117.36 2wg5 h LEU 37 Ca 0.15 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2wg5 h LEU 37 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wg5 h LEU 37 CO -0.09 0.63 -0.09 -0.33 0.09 0.00 0.00 178.44 178.65 2wg5 h GLU 38 N 0.85 0.83 -0.46 1.13 5.08 -1.15 -0.73 114.58 120.14 2wg5 h GLU 38 Ca 0.22 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2wg5 h GLU 38 Cb 0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2wg5 h GLU 38 CO -0.04 0.89 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.36 2wg5 h ASP 39 N 0.76 0.78 -0.33 1.42 3.32 -1.19 -2.15 116.42 119.04 2wg5 h ASP 39 Ca 0.13 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 2wg5 h ASP 39 Cb 0.59 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2wg5 h ASP 39 CO 0.04 0.89 -0.26 0.50 -1.72 0.00 0.00 179.24 178.68 2wg5 h LYS 40 N 0.73 0.76 -0.73 3.56 1.63 -0.44 -1.48 116.57 120.60 2wg5 h LYS 40 Ca 0.13 -0.38 0.02 0.00 -0.85 0.00 0.00 60.65 59.57 2wg5 h LYS 40 Cb 0.54 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 2wg5 h LYS 40 CO 0.03 1.00 0.47 0.28 -3.45 0.00 0.00 179.45 177.79 2wg5 h VAL 41 N 0.53 1.15 -0.47 2.00 2.07 -1.10 -0.20 116.25 120.23 2wg5 h VAL 41 Ca 0.06 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2wg5 h VAL 41 Cb 0.83 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2wg5 h VAL 41 CO 0.07 0.17 -0.00 -0.08 0.02 0.00 0.00 177.57 177.75 2wg5 h GLU 42 N 0.95 0.83 -0.19 1.57 4.81 -1.15 -0.88 114.58 120.53 2wg5 h GLU 42 Ca 0.28 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2wg5 h GLU 42 Cb -0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2wg5 h GLU 42 CO -0.08 0.88 0.07 1.49 -0.73 0.00 0.00 179.01 180.64 2wg5 h GLU 43 N 0.68 0.16 -0.51 1.92 4.81 -1.00 -0.78 114.58 119.87 2wg5 h GLU 43 Ca 0.13 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2wg5 h GLU 43 Cb 0.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2wg5 h GLU 43 CO 0.02 0.11 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.33 2wg5 h LEU 44 N 0.17 0.84 -0.60 1.64 3.38 -0.94 -0.73 115.31 119.06 2wg5 h LEU 44 Ca 0.08 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 2wg5 h LEU 44 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2wg5 h LEU 44 CO -0.07 0.90 -0.44 -0.07 0.09 0.00 0.00 178.44 178.86 2wg5 h LEU 45 N 0.80 0.65 -0.37 1.67 3.38 -0.89 0.22 115.31 120.76 2wg5 h LEU 45 Ca 0.15 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2wg5 h LEU 45 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2wg5 h LEU 45 CO 0.02 1.00 0.22 -1.28 0.09 0.00 0.00 178.44 178.49 2wg5 h SER 46 N 0.49 0.45 -0.45 -0.43 0.87 -0.90 0.29 113.55 113.86 2wg5 h SER 46 Ca 0.03 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2wg5 h SER 46 Cb 0.96 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2wg5 h SER 46 CO 0.09 0.38 0.17 0.50 -0.53 0.00 0.00 176.83 177.44 2wg5 h LYS 47 N 0.49 0.68 -0.71 2.24 3.64 -0.89 -1.92 116.57 120.10 2wg5 h LYS 47 Ca 0.13 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2wg5 h LYS 47 Cb 0.01 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 2wg5 h LYS 47 CO -0.02 0.63 0.37 -0.97 -2.27 0.00 0.00 179.45 177.19 2wg5 h ASN 48 N 0.59 0.51 -0.42 4.20 -0.73 -0.38 -1.43 115.58 117.92 2wg5 h ASN 48 Ca 0.15 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 2wg5 h ASN 48 Cb 0.21 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 2wg5 h ASN 48 CO -0.01 0.31 0.23 0.22 -0.37 0.00 0.00 177.43 177.81 2wg5 h TYR 49 N 0.65 0.57 -0.57 0.67 3.20 -0.30 0.08 116.97 121.27 2wg5 h TYR 49 Ca 0.34 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 2wg5 h TYR 49 Cb 0.31 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2wg5 h TYR 49 CO -0.09 0.44 -0.01 0.45 -1.64 0.00 0.00 178.16 177.30 2wg5 h HIS 50 N 0.54 1.12 -0.60 -3.82 3.86 -1.19 -2.05 115.15 113.02 2wg5 h HIS 50 Ca 0.15 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2wg5 h HIS 50 Cb 0.05 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 2wg5 h HIS 50 CO -0.02 1.00 0.25 -0.07 0.86 0.00 0.00 177.93 179.96 2wg5 h LEU 51 N 0.91 0.81 -0.64 2.43 3.38 -1.02 -1.18 115.31 120.00 2wg5 h LEU 51 Ca 0.16 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2wg5 h LEU 51 Cb 0.57 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2wg5 h LEU 51 CO 0.03 0.74 0.34 -0.33 0.09 0.00 0.00 178.44 179.32 2wg5 h GLU 52 N 0.82 0.62 -0.48 1.13 5.08 -0.78 -0.58 114.58 120.38 2wg5 h GLU 52 Ca 0.20 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2wg5 h GLU 52 Cb 0.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2wg5 h GLU 52 CO -0.02 0.41 0.10 -0.91 -1.00 0.00 0.00 179.01 177.58 2wg5 h ASN 53 N 0.64 0.76 -0.47 1.42 2.35 -1.08 -0.37 115.58 118.82 2wg5 h ASN 53 Ca 0.29 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2wg5 h ASN 53 Cb 0.20 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2wg5 h ASN 53 CO -0.19 0.81 0.27 -0.08 -1.65 0.00 0.00 177.43 176.59 2wg5 h GLU 54 N 0.67 0.53 -0.65 0.81 4.81 -1.00 -1.45 114.58 118.30 2wg5 h GLU 54 Ca 0.15 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2wg5 h GLU 54 Cb 0.37 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2wg5 h GLU 54 CO 0.01 0.35 0.18 0.28 -0.73 0.00 0.00 179.01 179.10 2wg5 h VAL 55 N 0.55 1.25 -0.58 0.32 2.07 -0.89 -1.33 116.25 117.64 2wg5 h VAL 55 Ca 0.19 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2wg5 h VAL 55 Cb 0.02 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2wg5 h VAL 55 CO -0.09 0.34 0.39 0.00 0.02 0.00 0.00 177.57 178.23 2wg5 h ALA 56 N 1.07 0.74 -0.39 1.67 0.00 -0.91 -1.08 119.26 120.36 2wg5 h ALA 56 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wg5 h ALA 56 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wg5 h ALA 56 CO -0.00 0.18 0.24 0.00 0.00 0.00 0.00 179.25 179.66 2wg5 h ARG 57 N 0.79 0.52 -0.30 0.00 3.08 -1.02 -0.48 114.38 116.98 2wg5 h ARG 57 Ca 0.21 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2wg5 h ARG 57 Cb -0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2wg5 h ARG 57 CO -0.05 0.39 0.15 -0.07 -1.07 0.00 0.00 179.97 179.33 2wg5 h LEU 58 N 0.51 0.35 -1.43 3.04 3.38 -0.93 -2.74 115.31 117.49 2wg5 h LEU 58 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wg5 h LEU 58 Cb -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2wg5 h LEU 58 CO -0.03 0.30 -0.03 0.54 0.09 0.00 0.00 178.44 179.31 2wg5 n ARG 59 N -4.45 1.94 -2.57 1.13 1.74 -0.44 -4.79 116.66 109.23 2wg5 n ARG 59 Ca 0.01 -1.43 -0.33 0.00 -0.77 0.00 0.00 57.85 55.34 2wg5 n ARG 59 Cb 0.10 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 2wg5 n ARG 59 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wg5 s SER 60 N -2.04 6.72 0.79 0.55 1.04 -0.22 -4.99 113.70 115.56 2wg5 s SER 60 Ca 0.32 1.64 -0.14 0.00 0.48 0.00 0.00 55.95 58.24 2wg5 s SER 60 Cb 0.20 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.83 2wg5 s SER 60 CO 0.33 -0.51 0.87 -2.65 0.98 0.00 0.00 173.24 172.26 2wg5 n PRO 61 N -1.18 0.20 -2.72 4.02 -0.02 -1.26 -4.39 135.00 129.65 2wg5 n PRO 61 Ca 0.07 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2wg5 n PRO 61 Cb 0.54 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2wg5 n PRO 61 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wg5 s PRO 62 N -3.57 4.71 -0.05 0.52 0.04 -1.26 -5.14 135.00 130.25 2wg5 s PRO 62 Ca 0.69 1.47 0.04 0.00 0.04 0.00 0.00 61.00 63.24 2wg5 s PRO 62 Cb -0.30 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2wg5 s PRO 62 CO 0.55 0.24 -0.15 -0.51 0.04 0.00 0.00 177.00 177.17 2wg5 s LEU 63 N -0.14 2.70 0.28 -3.56 1.43 -1.26 -4.50 118.68 113.63 2wg5 s LEU 63 Ca 0.46 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 2wg5 s LEU 63 Cb -0.24 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 2wg5 s LEU 63 CO 0.30 0.33 1.02 -0.22 0.23 0.00 0.00 176.35 178.01 2wg5 s LEU 64 N -0.64 4.53 0.06 1.79 2.96 -0.51 -4.77 118.68 122.10 2wg5 s LEU 64 Ca 0.10 2.09 -0.19 0.00 -0.22 0.00 0.00 54.13 55.90 2wg5 s LEU 64 Cb -0.11 -3.71 -0.07 0.00 0.50 0.00 0.00 46.19 42.81 2wg5 s LEU 64 CO 0.01 -0.05 0.55 -0.69 -1.32 0.00 0.00 176.35 174.85 2wg5 s VAL 65 N -1.26 4.77 0.25 1.68 1.01 -1.26 0.19 120.40 125.79 2wg5 s VAL 65 Ca 0.45 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2wg5 s VAL 65 Cb -0.28 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2wg5 s VAL 65 CO 0.35 0.56 0.29 0.61 0.00 0.00 0.00 175.10 176.90 2wg5 n GLY 66 N 1.74 2.77 2.92 4.51 0.00 -0.08 -1.00 105.19 116.04 2wg5 n GLY 66 Ca -0.11 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 2wg5 n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg5 s VAL 67 N -2.85 0.62 0.17 1.61 1.01 -0.52 -0.32 120.40 120.12 2wg5 s VAL 67 Ca 0.25 -0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.73 2wg5 s VAL 67 Cb 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.66 2wg5 s VAL 67 CO 0.18 0.24 1.57 -0.69 0.00 0.00 0.00 175.10 176.39 2wg5 s VAL 68 N 0.76 2.60 -0.25 2.92 1.01 0.12 -0.62 120.40 126.95 2wg5 s VAL 68 Ca -0.11 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 2wg5 s VAL 68 Cb -0.14 -3.28 -0.15 0.00 0.00 0.00 0.00 36.38 32.81 2wg5 s VAL 68 CO 0.01 0.04 -0.18 -0.24 0.00 0.00 0.00 175.10 174.73 2wg5 n SER 69 N 3.90 1.95 -3.62 3.32 2.88 0.18 -0.86 113.62 121.37 2wg5 n SER 69 Ca 0.14 0.28 -0.06 0.00 -1.33 0.00 0.00 58.87 57.90 2wg5 n SER 69 Cb 0.38 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 63.03 2wg5 n SER 69 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2wg5 s ASP 70 N -7.20 -0.28 -0.15 -3.46 -4.77 -1.04 -4.70 116.67 95.07 2wg5 s ASP 70 Ca -0.35 -0.18 -0.00 0.00 -3.30 0.00 0.00 52.55 48.71 2wg5 s ASP 70 Cb 0.12 0.43 -0.01 0.00 -1.09 0.00 0.00 42.92 42.37 2wg5 s ASP 70 CO 0.54 -0.75 -0.13 -0.63 0.70 0.00 0.00 175.17 174.90 2wg5 s ILE 71 N -3.20 2.92 0.35 2.11 -1.09 -1.26 -0.42 121.20 120.61 2wg5 s ILE 71 Ca 0.08 -0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 57.72 2wg5 s ILE 71 Cb -0.01 -2.23 -0.06 0.00 -1.58 0.00 0.00 42.46 38.57 2wg5 s ILE 71 CO -0.04 0.51 0.68 -0.76 -1.23 0.00 0.00 174.94 174.10 2wg5 s LEU 72 N 0.61 3.94 0.30 2.97 1.43 0.23 -4.96 118.68 123.20 2wg5 s LEU 72 Ca -0.08 0.97 0.06 0.00 -1.03 0.00 0.00 54.13 54.05 2wg5 s LEU 72 Cb -0.16 -3.82 0.77 0.00 0.03 0.00 0.00 46.19 43.02 2wg5 s LEU 72 CO 0.03 -0.30 1.73 1.05 0.23 0.00 0.00 176.35 179.08 2wg5 h GLU 73 N 1.49 0.53 0.00 1.70 -0.00 -2.00 0.43 114.58 116.74 2wg5 h GLU 73 Ca -0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 2wg5 h GLU 73 Cb 1.19 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 2wg5 h GLU 73 CO 0.65 0.35 0.00 -0.40 -0.00 0.00 0.00 179.01 179.61 2wg5 n ASP 74 N -4.93 0.00 0.00 3.06 5.68 -1.26 -4.89 116.55 114.21 2wg5 n ASP 74 Ca 0.24 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 2wg5 n ASP 74 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 2wg5 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wg5 n GLY 75 N 0.81 0.92 3.78 6.12 0.00 0.15 -5.05 105.19 111.91 2wg5 n GLY 75 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2wg5 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wg5 s ARG 76 N -0.34 2.47 0.01 1.61 0.52 -1.26 -4.82 118.95 117.14 2wg5 s ARG 76 Ca 0.00 1.18 0.07 0.00 -0.52 0.00 0.00 55.73 56.46 2wg5 s ARG 76 Cb 0.00 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 2wg5 s ARG 76 CO 0.00 -1.48 -0.21 0.08 0.02 0.00 0.00 175.30 173.71 2wg5 s VAL 77 N -2.81 1.66 -0.26 3.52 1.01 -0.77 -0.60 120.40 122.16 2wg5 s VAL 77 Ca 0.62 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 2wg5 s VAL 77 Cb -0.17 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2wg5 s VAL 77 CO 0.53 0.35 0.34 -0.69 0.00 0.00 0.00 175.10 175.62 2wg5 s VAL 78 N -0.63 5.20 0.05 2.92 1.01 0.44 -0.70 120.40 128.68 2wg5 s VAL 78 Ca 0.08 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2wg5 s VAL 78 Cb -0.08 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2wg5 s VAL 78 CO 0.00 0.19 -0.15 0.68 0.00 0.00 0.00 175.10 175.82 2wg5 s VAL 79 N 1.90 3.01 -0.36 2.92 -7.23 -0.05 0.48 120.40 121.07 2wg5 s VAL 79 Ca 0.14 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.99 2wg5 s VAL 79 Cb -0.16 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 2wg5 s VAL 79 CO 0.10 0.30 0.45 -0.75 -0.31 0.00 0.00 175.10 174.89 2wg5 s LYS 80 N -1.58 3.48 0.46 4.82 2.20 0.21 -1.36 119.74 127.98 2wg5 s LYS 80 Ca 0.16 -0.38 -0.21 0.00 -0.36 0.00 0.00 55.97 55.18 2wg5 s LYS 80 Cb -0.11 -3.84 -0.09 0.00 -1.51 0.00 0.00 37.83 32.28 2wg5 s LYS 80 CO 0.07 -0.66 1.04 -1.54 -0.36 0.00 0.00 175.35 173.90 2wg5 s SER 81 N 1.77 6.47 0.16 1.43 1.04 -0.07 -1.44 113.70 123.06 2wg5 s SER 81 Ca 0.15 1.96 0.17 0.00 0.48 0.00 0.00 55.95 58.72 2wg5 s SER 81 Cb -0.16 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.17 2wg5 s SER 81 CO 0.13 -0.69 1.53 -1.54 0.98 0.00 0.00 173.24 173.65 2wg5 n SER 82 N -0.70 0.37 0.18 7.02 3.41 -0.17 -0.89 113.62 122.84 2wg5 n SER 82 Ca 0.08 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 2wg5 n SER 82 Cb 0.52 -0.69 0.56 0.00 -0.26 0.00 0.00 64.21 64.34 2wg5 n SER 82 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2wg5 h THR 83 N 0.00 0.00 0.00 6.66 1.35 -1.91 -3.48 112.91 115.53 2wg5 h THR 83 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2wg5 h THR 83 Cb 0.21 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2wg5 h THR 83 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wg5 n GLY 84 N -0.06 3.11 3.69 5.82 0.00 -0.07 -5.12 105.19 112.56 2wg5 n GLY 84 Ca 0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 2wg5 n GLY 84 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wg5 s PRO 85 N 0.00 0.46 0.02 1.61 0.02 -1.26 -4.56 135.00 131.29 2wg5 s PRO 85 Ca 0.00 0.45 0.05 0.00 0.02 0.00 0.00 61.00 61.51 2wg5 s PRO 85 Cb 0.00 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.74 2wg5 s PRO 85 CO 0.00 -2.69 -0.10 0.15 -0.33 0.00 0.00 177.00 174.03 2wg5 s LYS 86 N -5.02 2.40 0.04 5.54 1.02 -1.26 -0.89 119.74 121.57 2wg5 s LYS 86 Ca 0.65 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.85 2wg5 s LYS 86 Cb -0.18 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2wg5 s LYS 86 CO 0.57 0.58 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.45 2wg5 s PHE 87 N -1.00 0.60 -0.25 3.18 0.40 -0.46 -4.99 117.98 115.46 2wg5 s PHE 87 Ca 0.17 -0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 55.86 2wg5 s PHE 87 Cb -0.11 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 2wg5 s PHE 87 CO 0.08 -0.10 0.40 0.08 0.70 0.00 0.00 175.22 176.38 2wg5 s VAL 88 N -1.34 5.16 0.14 -0.44 1.01 -1.26 -0.87 120.40 122.80 2wg5 s VAL 88 Ca -0.10 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.58 2wg5 s VAL 88 Cb -0.10 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2wg5 s VAL 88 CO 0.00 0.17 -0.11 0.68 0.00 0.00 0.00 175.10 175.84 2wg5 s VAL 89 N 1.92 1.22 0.83 2.92 -7.23 0.12 -4.94 120.40 115.24 2wg5 s VAL 89 Ca 0.17 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 2wg5 s VAL 89 Cb -0.15 -1.71 0.12 0.00 0.56 0.00 0.00 36.38 35.20 2wg5 s VAL 89 CO 0.09 -0.62 1.17 0.21 -0.31 0.00 0.00 175.10 175.63 2wg5 s ASN 90 N -2.90 4.06 0.03 4.85 3.84 -1.26 -1.84 114.94 121.72 2wg5 s ASN 90 Ca 0.14 0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.57 2wg5 s ASN 90 Cb -0.00 -0.72 -0.02 0.00 -0.55 0.00 0.00 41.25 39.95 2wg5 s ASN 90 CO 0.02 -2.12 -0.04 0.42 -2.79 0.00 0.00 177.10 172.59 2wg5 s THR 91 N -3.55 0.18 0.52 -5.21 -4.23 -1.26 -0.80 115.64 101.28 2wg5 s THR 91 Ca 0.66 -1.05 -0.23 0.00 -1.18 0.00 0.00 61.69 59.90 2wg5 s THR 91 Cb -0.08 -0.47 -0.06 0.00 1.34 0.00 0.00 72.50 73.24 2wg5 s THR 91 CO 0.49 -0.55 1.39 -0.24 -0.54 0.00 0.00 174.62 175.17 2wg5 n SER 92 N 1.39 2.91 0.00 3.99 2.88 0.83 -4.88 113.62 120.73 2wg5 n SER 92 Ca -0.23 1.02 0.09 0.00 -1.33 0.00 0.00 58.87 58.42 2wg5 n SER 92 Cb 0.56 -1.59 0.48 0.00 -0.75 0.00 0.00 64.21 62.90 2wg5 n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wg5 n GLN 93 N -0.82 0.26 -0.58 -1.46 10.64 -1.26 -3.31 117.38 120.85 2wg5 n GLN 93 Ca 0.09 0.11 0.08 0.00 -1.83 0.00 0.00 57.00 55.45 2wg5 n GLN 93 Cb 0.44 -1.50 0.32 0.00 -0.86 0.00 0.00 30.24 28.64 2wg5 n GLN 93 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2wg5 n TYR 94 N -1.30 1.36 -3.03 2.61 4.01 -1.26 -4.94 117.16 114.62 2wg5 n TYR 94 Ca 0.09 -0.67 -0.39 0.00 -0.16 0.00 0.00 57.90 56.77 2wg5 n TYR 94 Cb 0.16 -0.28 -0.06 0.00 -0.31 0.00 0.00 39.34 38.85 2wg5 n TYR 94 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2wg5 s ILE 95 N -2.08 4.43 -0.44 -0.72 1.01 -1.21 -4.99 121.20 117.20 2wg5 s ILE 95 Ca 0.47 1.58 -0.28 0.00 0.00 0.00 0.00 60.65 62.42 2wg5 s ILE 95 Cb 0.32 -4.06 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 2wg5 s ILE 95 CO 0.19 0.45 1.58 0.21 0.00 0.00 0.00 174.94 177.38 2wg5 s ASN 96 N -1.26 6.03 0.59 3.58 3.04 -1.26 -4.87 114.94 120.79 2wg5 s ASN 96 Ca 0.37 0.80 0.29 0.00 0.04 0.00 0.00 52.86 54.36 2wg5 s ASN 96 Cb -0.21 -2.54 1.68 0.00 -1.54 0.00 0.00 41.25 38.64 2wg5 s ASN 96 CO 0.24 -1.69 2.12 -0.33 -3.04 0.00 0.00 177.10 174.40 2wg5 h GLU 97 N 11.95 0.00 -0.89 0.43 5.08 -1.94 -2.02 114.58 127.19 2wg5 h GLU 97 Ca -0.29 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2wg5 h GLU 97 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2wg5 h GLU 97 CO 1.10 0.00 0.58 1.49 -1.00 0.00 0.00 179.01 181.19 2wg5 h GLU 98 N 0.00 1.18 -0.00 2.33 4.81 -2.04 -2.51 114.58 118.35 2wg5 h GLU 98 Ca 0.08 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wg5 h GLU 98 Cb 0.44 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2wg5 h GLU 98 CO -0.00 0.79 -0.12 0.39 -0.73 0.00 0.00 179.01 179.34 2wg5 n GLU 99 N -4.45 0.04 -2.79 1.92 1.02 -0.76 -4.66 120.64 110.97 2wg5 n GLU 99 Ca 0.10 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 2wg5 n GLU 99 Cb 0.02 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 2wg5 n GLU 99 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wg5 s LEU 100 N -2.96 4.36 0.15 -4.62 0.20 -0.95 -4.78 118.68 110.08 2wg5 s LEU 100 Ca 0.14 -1.56 -0.17 0.00 0.69 0.00 0.00 54.13 53.24 2wg5 s LEU 100 Cb 0.19 -2.46 0.03 0.00 -0.43 0.00 0.00 46.19 43.52 2wg5 s LEU 100 CO 0.57 -1.32 0.44 -1.59 -0.29 0.00 0.00 176.35 174.16 2wg5 s LYS 101 N 3.80 1.16 0.13 1.98 -2.85 -1.26 -4.99 119.74 117.71 2wg5 s LYS 101 Ca 0.34 -0.74 -0.34 0.00 -1.00 0.00 0.00 55.97 54.23 2wg5 s LYS 101 Cb -0.06 0.49 -0.16 0.00 -2.06 0.00 0.00 37.83 36.03 2wg5 s LYS 101 CO -0.04 -0.47 1.20 -2.30 0.10 0.00 0.00 175.35 173.84 2wg5 n PRO 102 N -0.26 1.05 0.00 1.78 -0.02 -1.26 -1.49 135.00 134.79 2wg5 n PRO 102 Ca -0.14 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2wg5 n PRO 102 Cb 0.64 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2wg5 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wg5 n GLY 103 N 2.15 2.31 3.76 -1.23 0.00 -0.04 -4.98 105.19 107.16 2wg5 n GLY 103 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2wg5 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg5 s ALA 104 N -2.27 3.03 -0.08 4.61 0.00 -0.56 -4.70 121.76 121.79 2wg5 s ALA 104 Ca 0.00 1.33 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 2wg5 s ALA 104 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2wg5 s ALA 104 CO 0.00 -1.19 0.35 0.50 0.00 0.00 0.00 175.76 175.42 2wg5 s ARG 105 N -2.65 4.03 0.09 0.00 3.52 -1.26 -0.70 118.95 121.97 2wg5 s ARG 105 Ca 0.66 0.26 0.06 0.00 -0.13 0.00 0.00 55.73 56.57 2wg5 s ARG 105 Cb -0.40 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2wg5 s ARG 105 CO 0.50 0.48 -0.15 0.14 -0.81 0.00 0.00 175.30 175.46 2wg5 s VAL 106 N -0.34 1.27 -0.24 7.11 -7.23 0.57 0.69 120.40 122.22 2wg5 s VAL 106 Ca 0.21 -1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 58.84 2wg5 s VAL 106 Cb -0.15 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 2wg5 s VAL 106 CO 0.09 -0.26 0.07 0.00 -0.31 0.00 0.00 175.10 174.69 2wg5 s ALA 107 N -1.52 3.19 -0.08 1.32 0.00 -0.48 -0.91 121.76 123.28 2wg5 s ALA 107 Ca 0.03 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2wg5 s ALA 107 Cb -0.08 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2wg5 s ALA 107 CO 0.03 -0.39 -0.12 -0.51 0.00 0.00 0.00 175.76 174.76 2wg5 s LEU 108 N 1.45 2.85 0.23 0.00 1.43 0.13 -0.85 118.68 123.91 2wg5 s LEU 108 Ca 0.06 -0.19 -0.32 0.00 -1.03 0.00 0.00 54.13 52.65 2wg5 s LEU 108 Cb -0.15 -1.61 -0.13 0.00 0.03 0.00 0.00 46.19 44.33 2wg5 s LEU 108 CO 0.04 0.29 1.52 -3.20 0.23 0.00 0.00 176.35 175.23 2wg5 n ASN 109 N 2.71 3.21 0.13 2.29 2.85 -0.17 -1.43 115.26 124.85 2wg5 n ASN 109 Ca -0.18 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.42 2wg5 n ASN 109 Cb 0.52 -1.48 0.28 0.00 1.24 0.00 0.00 39.78 40.35 2wg5 n ASN 109 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2wg5 h GLN 110 N 5.01 0.13 0.11 1.20 4.15 -1.92 0.14 115.11 123.93 2wg5 h GLN 110 Ca -0.45 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 58.71 2wg5 h GLN 110 Cb 1.25 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.94 2wg5 h GLN 110 CO 0.82 0.51 -0.97 1.96 -1.93 0.00 0.00 178.83 179.21 2wg5 h GLN 111 N 0.11 0.23 0.00 1.69 7.50 -1.95 -3.40 115.11 119.29 2wg5 h GLN 111 Ca 0.01 -0.39 0.00 0.00 0.50 0.00 0.00 58.65 58.78 2wg5 h GLN 111 Cb 0.75 0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.42 2wg5 h GLN 111 CO 0.06 1.18 -0.80 0.25 -1.50 0.00 0.00 178.83 178.02 2wg5 n THR 112 N -4.13 0.00 -1.24 -0.54 -2.24 -1.22 -4.99 114.28 99.92 2wg5 n THR 112 Ca -0.19 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2wg5 n THR 112 Cb 0.80 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 2wg5 n THR 112 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wg5 n LEU 113 N -1.41 -0.58 -4.66 3.22 4.77 0.50 -4.85 117.00 113.99 2wg5 n LEU 113 Ca 0.03 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 2wg5 n LEU 113 Cb 0.26 -2.19 0.01 0.00 -2.33 0.00 0.00 43.42 39.17 2wg5 n LEU 113 CO 0.33 -0.80 0.76 0.00 -1.33 0.00 0.00 177.39 176.36 2wg5 n ALA 114 N 0.77 0.80 -2.59 -1.18 0.00 -1.26 -4.50 120.51 112.55 2wg5 n ALA 114 Ca -0.11 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2wg5 n ALA 114 Cb 0.47 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 2wg5 n ALA 114 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wg5 s ILE 115 N -1.20 4.36 -0.12 0.00 1.01 0.02 -1.00 121.20 124.28 2wg5 s ILE 115 Ca 0.61 1.53 -0.06 0.00 0.00 0.00 0.00 60.65 62.72 2wg5 s ILE 115 Cb -0.55 -4.42 -0.26 0.00 0.01 0.00 0.00 42.46 37.24 2wg5 s ILE 115 CO 0.58 -0.61 0.38 0.52 0.00 0.00 0.00 174.94 175.81 2wg5 n VAL 116 N 6.18 1.78 -3.75 2.92 0.31 -0.03 -0.12 118.33 125.64 2wg5 n VAL 116 Ca 0.13 -0.66 -0.13 0.00 -0.01 0.00 0.00 64.34 63.66 2wg5 n VAL 116 Cb 0.47 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.59 2wg5 n VAL 116 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2wg5 s ASN 117 N -7.03 -0.27 0.21 4.52 0.02 -1.14 -4.76 114.94 106.49 2wg5 s ASN 117 Ca -0.22 0.33 -0.29 0.00 -1.02 0.00 0.00 52.86 51.66 2wg5 s ASN 117 Cb 0.07 0.47 -0.08 0.00 0.02 0.00 0.00 41.25 41.72 2wg5 s ASN 117 CO 0.77 -0.35 0.91 -0.69 0.02 0.00 0.00 177.10 177.77 2wg5 s VAL 118 N -0.81 4.17 0.15 1.60 1.01 -1.26 -1.39 120.40 123.86 2wg5 s VAL 118 Ca -0.09 2.02 0.04 0.00 0.00 0.00 0.00 61.98 63.95 2wg5 s VAL 118 Cb -0.04 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2wg5 s VAL 118 CO 0.03 0.48 0.17 -0.76 0.00 0.00 0.00 175.10 175.03 2wg5 s LEU 119 N -1.05 3.97 0.00 3.92 1.02 0.22 -4.90 118.68 121.86 2wg5 s LEU 119 Ca 0.41 -0.02 0.20 0.00 0.02 0.00 0.00 54.13 54.74 2wg5 s LEU 119 Cb -0.25 -2.58 1.19 0.00 0.02 0.00 0.00 46.19 44.56 2wg5 s LEU 119 CO 0.31 0.08 1.57 -0.81 0.02 0.00 0.00 176.35 177.52