#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 0.48 -0.49 2.12 3.11 -2.05 -1.76 116.57 117.98 2wg5 h LYS 35 Ca 0.00 -0.28 0.02 0.00 -2.81 0.00 0.00 60.65 57.57 2wg5 h LYS 35 Cb 0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 2wg5 h LYS 35 CO 0.00 0.88 0.30 1.96 -2.81 0.00 0.00 179.45 179.78 2wg5 h GLN 36 N 0.38 0.59 -0.69 1.90 4.20 -2.05 -1.86 115.11 117.57 2wg5 h GLN 36 Ca 0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2wg5 h GLN 36 Cb 1.02 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 2wg5 h GLN 36 CO 0.09 0.39 0.31 -0.07 -0.67 0.00 0.00 178.83 178.88 2wg5 h LEU 37 N 0.60 0.93 -0.70 1.46 3.38 -1.97 -1.56 115.31 117.46 2wg5 h LEU 37 Ca 0.19 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2wg5 h LEU 37 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2wg5 h LEU 37 CO -0.08 0.82 -0.19 -0.33 0.09 0.00 0.00 178.44 178.75 2wg5 h GLU 38 N 0.97 0.80 -0.58 1.13 5.08 -1.14 -0.94 114.58 119.90 2wg5 h GLU 38 Ca 0.24 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2wg5 h GLU 38 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2wg5 h GLU 38 CO -0.03 0.93 0.05 -0.44 -1.00 0.00 0.00 179.01 178.53 2wg5 h ASP 39 N 0.71 0.92 -0.35 1.42 3.32 -1.23 -2.00 116.42 119.20 2wg5 h ASP 39 Ca 0.10 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 2wg5 h ASP 39 Cb 0.70 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2wg5 h ASP 39 CO 0.05 0.95 -0.29 0.50 -1.72 0.00 0.00 179.24 178.74 2wg5 h LYS 40 N 0.90 0.82 -0.67 3.56 1.63 -0.73 -1.05 116.57 121.02 2wg5 h LYS 40 Ca 0.18 -0.41 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 2wg5 h LYS 40 Cb 0.45 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 2wg5 h LYS 40 CO 0.02 1.04 0.43 0.28 -3.45 0.00 0.00 179.45 177.77 2wg5 h VAL 41 N 0.61 1.12 -0.52 2.00 2.07 -1.12 -0.22 116.25 120.18 2wg5 h VAL 41 Ca 0.06 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 2wg5 h VAL 41 Cb 0.86 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2wg5 h VAL 41 CO 0.07 0.16 -0.02 -0.08 0.02 0.00 0.00 177.57 177.72 2wg5 h GLU 42 N 0.85 0.93 -0.14 1.57 4.81 -1.04 -0.94 114.58 120.62 2wg5 h GLU 42 Ca 0.26 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2wg5 h GLU 42 Cb -0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2wg5 h GLU 42 CO -0.09 0.96 0.06 1.49 -0.73 0.00 0.00 179.01 180.70 2wg5 h GLU 43 N 0.80 0.13 -0.47 1.92 4.81 -0.90 -1.37 114.58 119.50 2wg5 h GLU 43 Ca 0.14 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2wg5 h GLU 43 Cb 0.56 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2wg5 h GLU 43 CO 0.03 0.08 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.32 2wg5 h LEU 44 N 0.13 0.75 -0.57 1.64 3.38 -0.93 -1.13 115.31 118.58 2wg5 h LEU 44 Ca 0.06 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 2wg5 h LEU 44 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2wg5 h LEU 44 CO -0.05 0.82 -0.56 -0.07 0.09 0.00 0.00 178.44 178.67 2wg5 h LEU 45 N 0.73 0.51 -0.41 1.67 3.38 -1.00 0.13 115.31 120.32 2wg5 h LEU 45 Ca 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wg5 h LEU 45 Cb 0.45 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wg5 h LEU 45 CO 0.02 0.96 0.24 -1.28 0.09 0.00 0.00 178.44 178.47 2wg5 h SER 46 N 0.35 0.50 -0.31 -0.43 0.87 -1.02 -0.02 113.55 113.48 2wg5 h SER 46 Ca 0.00 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2wg5 h SER 46 Cb 1.09 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2wg5 h SER 46 CO 0.10 0.42 0.10 0.50 -0.53 0.00 0.00 176.83 177.42 2wg5 h LYS 47 N 0.53 0.48 -0.74 2.24 3.64 -1.02 -1.82 116.57 119.88 2wg5 h LYS 47 Ca 0.14 -0.10 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2wg5 h LYS 47 Cb 0.03 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.70 2wg5 h LYS 47 CO -0.03 0.52 0.35 -0.97 -2.27 0.00 0.00 179.45 177.06 2wg5 h ASN 48 N 0.34 0.41 -0.38 4.20 -0.73 -0.63 -1.12 115.58 117.67 2wg5 h ASN 48 Ca 0.10 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 2wg5 h ASN 48 Cb 0.24 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 2wg5 h ASN 48 CO -0.00 0.21 0.14 0.22 -0.37 0.00 0.00 177.43 177.62 2wg5 h TYR 49 N 0.56 0.60 -0.55 0.67 3.20 -0.41 0.17 116.97 121.21 2wg5 h TYR 49 Ca 0.38 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.11 2wg5 h TYR 49 Cb 0.48 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2wg5 h TYR 49 CO -0.12 0.55 -0.04 0.45 -1.64 0.00 0.00 178.16 177.36 2wg5 h HIS 50 N 0.47 1.06 -0.60 -3.82 3.86 -1.07 -2.10 115.15 112.95 2wg5 h HIS 50 Ca 0.13 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 2wg5 h HIS 50 Cb 0.22 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2wg5 h HIS 50 CO 0.00 0.96 0.13 -0.07 0.86 0.00 0.00 177.93 179.82 2wg5 h LEU 51 N 0.88 0.91 -0.67 2.43 3.38 -0.93 -1.33 115.31 119.98 2wg5 h LEU 51 Ca 0.15 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2wg5 h LEU 51 Cb 0.57 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2wg5 h LEU 51 CO 0.03 0.92 0.40 -0.33 0.09 0.00 0.00 178.44 179.55 2wg5 h GLU 52 N 0.87 0.73 -0.40 1.13 5.08 -0.73 -0.01 114.58 121.25 2wg5 h GLU 52 Ca 0.19 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2wg5 h GLU 52 Cb 0.37 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2wg5 h GLU 52 CO 0.00 0.48 0.06 -0.91 -1.00 0.00 0.00 179.01 177.65 2wg5 h ASN 53 N 0.75 0.64 -0.51 1.42 2.35 -1.10 -0.50 115.58 118.64 2wg5 h ASN 53 Ca 0.29 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2wg5 h ASN 53 Cb 0.11 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2wg5 h ASN 53 CO -0.15 0.75 0.30 -0.08 -1.65 0.00 0.00 177.43 176.60 2wg5 h GLU 54 N 0.52 0.58 -0.63 0.81 4.81 -1.07 -1.26 114.58 118.34 2wg5 h GLU 54 Ca 0.12 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2wg5 h GLU 54 Cb 0.38 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2wg5 h GLU 54 CO 0.01 0.38 0.24 0.28 -0.73 0.00 0.00 179.01 179.20 2wg5 h VAL 55 N 0.60 1.24 -0.38 0.32 2.07 -0.77 -1.49 116.25 117.84 2wg5 h VAL 55 Ca 0.21 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.01 2wg5 h VAL 55 Cb 0.03 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2wg5 h VAL 55 CO -0.10 0.29 0.19 0.00 0.02 0.00 0.00 177.57 177.97 2wg5 h ALA 56 N 1.10 0.47 -0.49 1.67 0.00 -0.93 -0.74 119.26 120.34 2wg5 h ALA 56 Ca 0.21 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wg5 h ALA 56 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2wg5 h ALA 56 CO -0.02 -0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.37 2wg5 h ARG 57 N 0.39 0.60 -0.18 0.00 3.08 -1.01 0.28 114.38 117.55 2wg5 h ARG 57 Ca 0.16 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 2wg5 h ARG 57 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2wg5 h ARG 57 CO -0.11 0.40 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.09 2wg5 h LEU 58 N 0.62 0.23 -1.14 3.04 3.38 -0.83 -2.79 115.31 117.84 2wg5 h LEU 58 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wg5 h LEU 58 Cb -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2wg5 h LEU 58 CO -0.06 0.30 -0.17 0.54 0.09 0.00 0.00 178.44 179.14 2wg5 n ARG 59 N -4.37 1.56 -2.77 1.13 1.74 -0.32 -4.78 116.66 108.85 2wg5 n ARG 59 Ca -0.00 -1.14 -0.33 0.00 -0.77 0.00 0.00 57.85 55.61 2wg5 n ARG 59 Cb 0.19 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 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 -2.22 6.86 0.77 0.55 1.04 0.06 -4.99 113.70 115.77 2wg5 s SER 60 Ca 0.28 1.71 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 2wg5 s SER 60 Cb 0.20 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 2wg5 s SER 60 CO 0.42 -0.42 0.63 -2.65 0.98 0.00 0.00 173.24 172.21 2wg5 n PRO 61 N -0.71 0.20 -2.74 4.02 -0.02 -1.26 -4.43 135.00 130.07 2wg5 n PRO 61 Ca 0.07 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 2wg5 n PRO 61 Cb 0.54 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 -3.14 4.70 -0.07 0.52 0.04 -1.26 -5.14 135.00 130.66 2wg5 s PRO 62 Ca 0.66 1.44 0.02 0.00 0.04 0.00 0.00 61.00 63.16 2wg5 s PRO 62 Cb -0.32 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 2wg5 s PRO 62 CO 0.58 0.23 -0.13 -0.51 0.04 0.00 0.00 177.00 177.21 2wg5 s LEU 63 N -0.05 2.80 0.26 -3.56 1.43 -1.26 -4.49 118.68 113.80 2wg5 s LEU 63 Ca 0.46 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 2wg5 s LEU 63 Cb -0.23 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 2wg5 s LEU 63 CO 0.30 0.31 1.02 -0.22 0.23 0.00 0.00 176.35 177.99 2wg5 s LEU 64 N -0.51 4.60 0.08 1.79 2.96 -0.42 -4.75 118.68 122.43 2wg5 s LEU 64 Ca 0.07 2.11 -0.19 0.00 -0.22 0.00 0.00 54.13 55.90 2wg5 s LEU 64 Cb -0.12 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 2wg5 s LEU 64 CO 0.02 0.00 0.57 -0.69 -1.32 0.00 0.00 176.35 174.93 2wg5 s VAL 65 N -1.16 4.75 0.28 1.68 1.01 -1.26 0.21 120.40 125.91 2wg5 s VAL 65 Ca 0.43 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.62 2wg5 s VAL 65 Cb -0.29 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 2wg5 s VAL 65 CO 0.37 0.54 0.34 0.61 0.00 0.00 0.00 175.10 176.96 2wg5 n GLY 66 N 1.68 2.56 2.93 4.51 0.00 0.04 -1.05 105.19 115.86 2wg5 n GLY 66 Ca -0.10 -1.66 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 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 0.60 0.16 1.61 1.01 -0.32 0.01 120.40 120.62 2wg5 s VAL 67 Ca 0.26 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 2wg5 s VAL 67 Cb -0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 2wg5 s VAL 67 CO 0.19 0.22 1.49 -0.69 0.00 0.00 0.00 175.10 176.31 2wg5 s VAL 68 N 0.65 2.85 -0.25 2.92 1.01 0.30 -0.57 120.40 127.31 2wg5 s VAL 68 Ca -0.09 0.62 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 2wg5 s VAL 68 Cb -0.12 -3.40 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 2wg5 s VAL 68 CO 0.00 0.06 -0.15 -0.24 0.00 0.00 0.00 175.10 174.77 2wg5 n SER 69 N 3.73 1.94 -3.58 3.32 2.88 0.16 -0.88 113.62 121.19 2wg5 n SER 69 Ca 0.12 0.30 -0.06 0.00 -1.33 0.00 0.00 58.87 57.90 2wg5 n SER 69 Cb 0.40 -0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 63.02 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 -0.29 -0.15 -3.46 -4.77 -1.08 -4.69 116.67 95.03 2wg5 s ASP 70 Ca -0.35 -0.12 -0.01 0.00 -3.30 0.00 0.00 52.55 48.77 2wg5 s ASP 70 Cb 0.11 0.40 -0.01 0.00 -1.09 0.00 0.00 42.92 42.32 2wg5 s ASP 70 CO 0.55 -0.67 -0.10 -0.63 0.70 0.00 0.00 175.17 175.01 2wg5 s ILE 71 N -3.11 3.22 0.35 2.11 -1.09 -1.26 -0.31 121.20 121.10 2wg5 s ILE 71 Ca 0.07 -0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 57.83 2wg5 s ILE 71 Cb -0.01 -2.38 -0.06 0.00 -1.58 0.00 0.00 42.46 38.43 2wg5 s ILE 71 CO -0.06 0.50 0.66 -0.76 -1.23 0.00 0.00 174.94 174.06 2wg5 s LEU 72 N 0.55 3.94 0.30 2.97 1.43 0.31 -4.96 118.68 123.23 2wg5 s LEU 72 Ca -0.07 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 2wg5 s LEU 72 Cb -0.15 -3.76 0.77 0.00 0.03 0.00 0.00 46.19 43.08 2wg5 s LEU 72 CO 0.03 -0.30 1.75 1.05 0.23 0.00 0.00 176.35 179.11 2wg5 h GLU 73 N 1.44 0.63 -0.00 1.70 -0.00 -2.00 0.36 114.58 116.71 2wg5 h GLU 73 Ca -0.47 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 2wg5 h GLU 73 Cb 1.19 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 2wg5 h GLU 73 CO 0.65 0.42 0.00 -0.40 -0.00 0.00 0.00 179.01 179.67 2wg5 n ASP 74 N -4.85 0.05 0.00 3.06 5.68 -1.26 -4.89 116.55 114.33 2wg5 n ASP 74 Ca 0.24 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 2wg5 n ASP 74 Cb 0.63 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 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 0.86 3.77 6.12 0.00 0.13 -5.05 105.19 111.83 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 -0.33 2.32 0.01 1.61 0.52 -1.26 -4.83 118.95 117.00 2wg5 s ARG 76 Ca 0.00 1.12 0.06 0.00 -0.52 0.00 0.00 55.73 56.39 2wg5 s ARG 76 Cb 0.00 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 2wg5 s ARG 76 CO 0.00 -1.59 -0.19 0.08 0.02 0.00 0.00 175.30 173.62 2wg5 s VAL 77 N -2.93 1.52 -0.25 3.52 1.01 -0.84 -0.53 120.40 121.90 2wg5 s VAL 77 Ca 0.61 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2wg5 s VAL 77 Cb -0.17 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2wg5 s VAL 77 CO 0.56 0.30 0.38 -0.69 0.00 0.00 0.00 175.10 175.65 2wg5 s VAL 78 N -0.62 5.18 0.06 2.92 1.01 0.58 -0.70 120.40 128.83 2wg5 s VAL 78 Ca 0.07 0.62 0.08 0.00 0.00 0.00 0.00 61.98 62.74 2wg5 s VAL 78 Cb -0.08 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2wg5 s VAL 78 CO 0.00 0.18 -0.19 0.68 0.00 0.00 0.00 175.10 175.78 2wg5 s VAL 79 N 1.86 2.74 -0.31 2.92 -7.23 -0.23 0.36 120.40 120.51 2wg5 s VAL 79 Ca 0.16 -1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 2wg5 s VAL 79 Cb -0.15 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 2wg5 s VAL 79 CO 0.09 0.29 0.42 -0.75 -0.31 0.00 0.00 175.10 174.84 2wg5 s LYS 80 N -1.57 3.80 0.45 4.82 2.20 0.27 -1.52 119.74 128.19 2wg5 s LYS 80 Ca 0.15 -0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 55.44 2wg5 s LYS 80 Cb -0.10 -3.74 -0.10 0.00 -1.51 0.00 0.00 37.83 32.38 2wg5 s LYS 80 CO 0.06 -0.45 1.00 -1.54 -0.36 0.00 0.00 175.35 174.06 2wg5 s SER 81 N 1.69 6.65 0.17 1.43 1.04 -0.07 -1.17 113.70 123.43 2wg5 s SER 81 Ca 0.16 1.84 0.18 0.00 0.48 0.00 0.00 55.95 58.62 2wg5 s SER 81 Cb -0.16 -2.56 0.81 0.00 0.10 0.00 0.00 66.02 64.21 2wg5 s SER 81 CO 0.11 -0.57 1.56 -1.54 0.98 0.00 0.00 173.24 173.79 2wg5 n SER 82 N -0.70 0.39 0.16 7.02 3.41 -0.22 -1.03 113.62 122.66 2wg5 n SER 82 Ca 0.08 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 2wg5 n SER 82 Cb 0.53 -0.69 0.53 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.92 -3.48 112.91 115.52 2wg5 h THR 83 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2wg5 h THR 83 Cb 0.24 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 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 3.14 3.68 5.82 0.00 -0.20 -5.12 105.19 112.57 2wg5 n GLY 84 Ca 0.02 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 0.36 -0.00 1.61 0.02 -1.26 -4.55 135.00 131.18 2wg5 s PRO 85 Ca 0.00 0.46 0.04 0.00 0.02 0.00 0.00 61.00 61.52 2wg5 s PRO 85 Cb 0.00 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.75 2wg5 s PRO 85 CO 0.00 -2.76 -0.11 0.15 -0.33 0.00 0.00 177.00 173.95 2wg5 s LYS 86 N -5.00 2.44 0.05 5.54 1.02 -1.26 -0.89 119.74 121.64 2wg5 s LYS 86 Ca 0.65 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.90 2wg5 s LYS 86 Cb -0.18 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2wg5 s LYS 86 CO 0.57 0.59 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.46 2wg5 s PHE 87 N -0.93 0.72 -0.25 3.18 0.40 -0.58 -4.99 117.98 115.55 2wg5 s PHE 87 Ca 0.15 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 2wg5 s PHE 87 Cb -0.11 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 2wg5 s PHE 87 CO 0.06 -0.08 0.28 0.08 0.70 0.00 0.00 175.22 176.26 2wg5 s VAL 88 N -1.56 5.26 0.15 -0.44 1.01 -1.26 -1.06 120.40 122.49 2wg5 s VAL 88 Ca -0.08 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2wg5 s VAL 88 Cb -0.09 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2wg5 s VAL 88 CO 0.00 0.25 -0.10 0.68 0.00 0.00 0.00 175.10 175.93 2wg5 s VAL 89 N 1.52 1.19 0.80 2.92 -7.23 0.12 -4.94 120.40 114.79 2wg5 s VAL 89 Ca 0.12 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.15 2wg5 s VAL 89 Cb -0.15 -1.84 0.12 0.00 0.56 0.00 0.00 36.38 35.07 2wg5 s VAL 89 CO 0.08 -0.73 1.13 0.21 -0.31 0.00 0.00 175.10 175.48 2wg5 s ASN 90 N -3.14 4.17 0.02 4.85 3.84 -1.26 -1.98 114.94 121.45 2wg5 s ASN 90 Ca 0.16 0.31 0.00 0.00 0.21 0.00 0.00 52.86 53.55 2wg5 s ASN 90 Cb 0.02 -0.71 -0.02 0.00 -0.55 0.00 0.00 41.25 39.99 2wg5 s ASN 90 CO 0.01 -2.03 -0.03 0.42 -2.79 0.00 0.00 177.10 172.67 2wg5 s THR 91 N -3.47 0.14 0.49 -5.21 -4.23 -1.26 -0.84 115.64 101.26 2wg5 s THR 91 Ca 0.66 -0.93 -0.24 0.00 -1.18 0.00 0.00 61.69 59.99 2wg5 s THR 91 Cb -0.08 -0.30 -0.07 0.00 1.34 0.00 0.00 72.50 73.39 2wg5 s THR 91 CO 0.48 -0.50 1.41 -0.55 -0.54 0.00 0.00 174.62 174.92 2wg5 s SER 92 N -1.49 5.63 0.00 3.99 0.15 0.64 -4.88 113.70 117.75 2wg5 s SER 92 Ca -0.15 2.89 0.18 0.00 0.70 0.00 0.00 55.95 59.56 2wg5 s SER 92 Cb -0.10 -2.65 0.88 0.00 -1.71 0.00 0.00 66.02 62.44 2wg5 s SER 92 CO -0.01 -1.34 1.54 0.00 1.20 0.00 0.00 173.24 174.63 2wg5 n GLN 93 N -0.51 0.21 -0.58 5.44 10.64 -1.26 -3.16 117.38 128.16 2wg5 n GLN 93 Ca 0.07 0.13 0.09 0.00 -1.83 0.00 0.00 57.00 55.46 2wg5 n GLN 93 Cb 0.43 -1.50 0.34 0.00 -0.86 0.00 0.00 30.24 28.65 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 -1.33 1.39 -2.93 2.61 4.01 -1.26 -4.94 117.16 114.71 2wg5 n TYR 94 Ca 0.08 -0.63 -0.39 0.00 -0.16 0.00 0.00 57.90 56.80 2wg5 n TYR 94 Cb 0.15 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 38.88 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 -1.90 4.32 -0.48 -0.72 1.01 -1.19 -4.99 121.20 117.26 2wg5 s ILE 95 Ca 0.49 1.72 -0.28 0.00 0.00 0.00 0.00 60.65 62.58 2wg5 s ILE 95 Cb 0.32 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 2wg5 s ILE 95 CO 0.22 0.41 1.61 0.21 0.00 0.00 0.00 174.94 177.40 2wg5 s ASN 96 N -1.30 5.92 0.59 3.58 3.04 -1.26 -4.87 114.94 120.64 2wg5 s ASN 96 Ca 0.40 0.67 0.29 0.00 0.04 0.00 0.00 52.86 54.26 2wg5 s ASN 96 Cb -0.22 -2.54 1.65 0.00 -1.54 0.00 0.00 41.25 38.60 2wg5 s ASN 96 CO 0.26 -1.80 2.07 -0.33 -3.04 0.00 0.00 177.10 174.26 2wg5 h GLU 97 N 12.33 0.00 -0.83 0.43 5.08 -1.94 -1.81 114.58 127.84 2wg5 h GLU 97 Ca -0.29 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2wg5 h GLU 97 Cb 1.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 2wg5 h GLU 97 CO 1.13 0.00 0.54 1.49 -1.00 0.00 0.00 179.01 181.17 2wg5 h GLU 98 N 0.00 1.05 -0.00 2.33 4.81 -2.04 -2.67 114.58 118.06 2wg5 h GLU 98 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2wg5 h GLU 98 Cb 0.58 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2wg5 h GLU 98 CO -0.00 0.70 -0.16 0.39 -0.73 0.00 0.00 179.01 179.21 2wg5 n GLU 99 N -4.54 0.05 -2.75 1.92 1.02 -0.68 -4.66 120.64 111.01 2wg5 n GLU 99 Ca 0.09 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 2wg5 n GLU 99 Cb 0.05 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 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 4.18 0.14 -4.62 0.20 -1.01 -4.79 118.68 109.83 2wg5 s LEU 100 Ca 0.14 -1.46 -0.17 0.00 0.69 0.00 0.00 54.13 53.33 2wg5 s LEU 100 Cb 0.19 -2.48 0.04 0.00 -0.43 0.00 0.00 46.19 43.51 2wg5 s LEU 100 CO 0.58 -1.38 0.45 -1.59 -0.29 0.00 0.00 176.35 174.12 2wg5 s LYS 101 N 4.08 1.16 0.16 1.98 -2.85 -1.26 -5.00 119.74 118.01 2wg5 s LYS 101 Ca 0.35 -0.70 -0.33 0.00 -1.00 0.00 0.00 55.97 54.29 2wg5 s LYS 101 Cb -0.06 0.50 -0.16 0.00 -2.06 0.00 0.00 37.83 36.05 2wg5 s LYS 101 CO -0.03 -0.47 1.17 -2.30 0.10 0.00 0.00 175.35 173.82 2wg5 n PRO 102 N -0.27 1.09 0.00 1.78 -0.02 -1.26 -1.49 135.00 134.83 2wg5 n PRO 102 Ca -0.15 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2wg5 n PRO 102 Cb 0.64 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 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 2.06 2.48 3.78 -1.23 0.00 -0.06 -4.97 105.19 107.24 2wg5 n GLY 103 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.21 3.51 -0.01 4.61 0.00 -0.56 -4.69 121.76 122.42 2wg5 s ALA 104 Ca 0.00 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.34 2wg5 s ALA 104 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2wg5 s ALA 104 CO 0.00 -1.09 0.51 0.50 0.00 0.00 0.00 175.76 175.68 2wg5 s ARG 105 N -2.17 4.19 0.09 0.00 3.52 -1.26 -0.54 118.95 122.78 2wg5 s ARG 105 Ca 0.54 0.59 0.05 0.00 -0.13 0.00 0.00 55.73 56.78 2wg5 s ARG 105 Cb -0.46 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 2wg5 s ARG 105 CO 0.62 0.48 -0.13 0.14 -0.81 0.00 0.00 175.30 175.60 2wg5 s VAL 106 N -0.49 1.10 -0.24 7.11 -7.23 0.10 0.41 120.40 121.17 2wg5 s VAL 106 Ca 0.27 -1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 2wg5 s VAL 106 Cb -0.17 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2wg5 s VAL 106 CO 0.15 -0.38 0.08 0.00 -0.31 0.00 0.00 175.10 174.63 2wg5 s ALA 107 N -1.87 3.24 -0.07 1.32 0.00 -0.57 -0.78 121.76 123.03 2wg5 s ALA 107 Ca 0.03 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2wg5 s ALA 107 Cb -0.06 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 2wg5 s ALA 107 CO 0.02 -0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 174.76 2wg5 s LEU 108 N 1.36 2.62 0.22 0.00 1.43 0.13 -0.94 118.68 123.50 2wg5 s LEU 108 Ca 0.05 -0.29 -0.32 0.00 -1.03 0.00 0.00 54.13 52.55 2wg5 s LEU 108 Cb -0.15 -1.54 -0.14 0.00 0.03 0.00 0.00 46.19 44.40 2wg5 s LEU 108 CO 0.04 0.28 1.40 -3.20 0.23 0.00 0.00 176.35 175.10 2wg5 n ASN 109 N 2.76 2.60 0.10 2.29 2.85 -0.14 -1.30 115.26 124.42 2wg5 n ASN 109 Ca -0.17 1.13 -0.02 0.00 -0.11 0.00 0.00 54.58 55.41 2wg5 n ASN 109 Cb 0.52 -1.40 0.22 0.00 1.24 0.00 0.00 39.78 40.36 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 4.36 0.23 0.12 1.20 4.15 -1.91 0.10 115.11 123.36 2wg5 h GLN 110 Ca -0.45 -0.11 -0.18 0.00 0.77 0.00 0.00 58.65 58.68 2wg5 h GLN 110 Cb 1.28 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.99 2wg5 h GLN 110 CO 0.77 0.62 -0.83 1.96 -1.93 0.00 0.00 178.83 179.43 2wg5 h GLN 111 N 0.19 0.26 0.00 1.69 7.50 -1.95 -3.40 115.11 119.40 2wg5 h GLN 111 Ca 0.02 -0.44 0.00 0.00 0.50 0.00 0.00 58.65 58.72 2wg5 h GLN 111 Cb 0.84 0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.54 2wg5 h GLN 111 CO 0.07 1.21 -1.03 0.25 -1.50 0.00 0.00 178.83 177.83 2wg5 n THR 112 N -4.15 0.00 -1.25 -0.54 -2.24 -1.23 -4.98 114.28 99.89 2wg5 n THR 112 Ca -0.15 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 2wg5 n THR 112 Cb 0.80 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.56 -0.48 -4.67 3.22 4.77 0.35 -4.85 117.00 113.79 2wg5 n LEU 113 Ca 0.02 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 2wg5 n LEU 113 Cb 0.31 -2.36 0.01 0.00 -2.33 0.00 0.00 43.42 39.04 2wg5 n LEU 113 CO 0.35 -0.88 0.77 0.00 -1.33 0.00 0.00 177.39 176.30 2wg5 n ALA 114 N 0.93 0.85 -2.57 -1.18 0.00 -1.26 -4.50 120.51 112.78 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 0.51 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 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 4.39 -0.13 0.00 1.01 -0.02 -0.97 121.20 124.28 2wg5 s ILE 115 Ca 0.61 1.59 -0.08 0.00 0.00 0.00 0.00 60.65 62.77 2wg5 s ILE 115 Cb -0.54 -4.34 -0.25 0.00 0.01 0.00 0.00 42.46 37.33 2wg5 s ILE 115 CO 0.58 -0.49 0.33 0.52 0.00 0.00 0.00 174.94 175.89 2wg5 n VAL 116 N 5.98 1.75 -3.77 2.92 0.31 -0.12 -0.26 118.33 125.14 2wg5 n VAL 116 Ca 0.13 -0.59 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 2wg5 n VAL 116 Cb 0.47 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.55 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 -7.02 -0.20 0.20 4.52 0.02 -1.17 -4.75 114.94 106.54 2wg5 s ASN 117 Ca -0.23 0.20 -0.28 0.00 -1.02 0.00 0.00 52.86 51.52 2wg5 s ASN 117 Cb 0.07 0.39 -0.08 0.00 0.02 0.00 0.00 41.25 41.64 2wg5 s ASN 117 CO 0.75 -0.35 0.88 -0.69 0.02 0.00 0.00 177.10 177.70 2wg5 s VAL 118 N -0.94 4.22 0.15 1.60 1.01 -1.26 -1.51 120.40 123.67 2wg5 s VAL 118 Ca -0.10 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.86 2wg5 s VAL 118 Cb -0.05 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2wg5 s VAL 118 CO 0.03 0.50 0.17 -0.76 0.00 0.00 0.00 175.10 175.04 2wg5 s LEU 119 N -1.07 3.95 0.00 3.92 1.02 0.17 -4.91 118.68 121.76 2wg5 s LEU 119 Ca 0.39 -0.04 0.20 0.00 0.02 0.00 0.00 54.13 54.70 2wg5 s LEU 119 Cb -0.25 -2.56 1.19 0.00 0.02 0.00 0.00 46.19 44.60 2wg5 s LEU 119 CO 0.30 0.07 1.58 -0.81 0.02 0.00 0.00 176.35 177.51