#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 0.62 0.00 2.12 3.11 -2.05 -3.23 116.57 117.14 2wg5 h LYS 35 Ca 0.00 -0.82 0.00 0.00 -2.81 0.00 0.00 60.65 57.02 2wg5 h LYS 35 Cb 0.00 0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 2wg5 h LYS 35 CO 0.00 1.37 0.00 1.04 -2.81 0.00 0.00 179.45 179.05 2wg5 n GLN 36 N -3.78 0.20 0.02 1.90 1.13 -1.26 -0.85 117.38 114.74 2wg5 n GLN 36 Ca -0.13 0.31 -0.17 0.00 -1.94 0.00 0.00 57.00 55.06 2wg5 n GLN 36 Cb 0.98 -1.80 -0.14 0.00 0.11 0.00 0.00 30.24 29.39 2wg5 n GLN 36 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wg5 h LEU 37 N 0.00 0.33 -0.78 1.08 3.38 -1.99 -2.68 115.31 114.66 2wg5 h LEU 37 Ca 0.00 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 2wg5 h LEU 37 Cb 0.51 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2wg5 h LEU 37 CO 0.00 1.53 0.18 -0.33 0.09 0.00 0.00 178.44 179.91 2wg5 h GLU 38 N 0.06 1.10 -0.08 1.13 5.08 -1.50 0.12 114.58 120.49 2wg5 h GLU 38 Ca -0.33 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2wg5 h GLU 38 Cb 2.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 2wg5 h GLU 38 CO 0.12 0.96 0.02 -0.44 -1.00 0.00 0.00 179.01 178.67 2wg5 h ASP 39 N 1.05 0.12 -0.01 1.42 5.19 -1.11 -2.49 116.42 120.58 2wg5 h ASP 39 Ca 0.22 -0.22 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 2wg5 h ASP 39 Cb 0.35 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.79 2wg5 h ASP 39 CO -0.00 0.31 -0.18 0.50 -3.12 0.00 0.00 179.24 176.75 2wg5 h LYS 40 N -0.07 -0.28 -0.70 3.56 1.63 -1.36 -0.10 116.57 119.24 2wg5 h LYS 40 Ca 0.03 0.02 0.20 0.00 -0.85 0.00 0.00 60.65 60.04 2wg5 h LYS 40 Cb 0.23 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 2wg5 h LYS 40 CO -0.00 -0.19 0.50 0.28 -3.45 0.00 0.00 179.45 176.59 2wg5 h VAL 41 N -0.29 0.67 0.08 2.00 2.07 -0.96 -1.10 116.25 118.73 2wg5 h VAL 41 Ca 0.06 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 2wg5 h VAL 41 Cb 0.37 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2wg5 h VAL 41 CO -0.18 0.01 -0.48 -0.33 0.02 0.00 0.00 177.57 176.61 2wg5 h GLU 42 N 0.05 0.18 -0.45 1.57 4.39 -0.60 -1.80 114.58 117.92 2wg5 h GLU 42 Ca 0.34 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2wg5 h GLU 42 Cb 1.28 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 2wg5 h GLU 42 CO -0.02 1.14 0.00 1.05 -1.16 0.00 0.00 179.01 180.03 2wg5 h GLU 43 N -0.63 0.73 -0.26 2.33 4.11 -0.75 -2.95 114.58 117.16 2wg5 h GLU 43 Ca -0.08 -0.19 -0.05 0.00 0.07 0.00 0.00 59.36 59.11 2wg5 h GLU 43 Cb 1.38 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2wg5 h GLU 43 CO 0.09 0.74 -0.02 -0.07 0.07 0.00 0.00 179.01 179.82 2wg5 h LEU 44 N 0.69 0.48 -1.49 3.06 3.38 -1.27 -0.03 115.31 120.12 2wg5 h LEU 44 Ca 0.14 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 57.91 2wg5 h LEU 44 Cb 0.42 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2wg5 h LEU 44 CO 0.02 0.69 0.51 -0.07 0.09 0.00 0.00 178.44 179.68 2wg5 h LEU 45 N 0.25 0.48 0.09 1.67 3.38 -1.27 0.11 115.31 120.02 2wg5 h LEU 45 Ca 0.07 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 2wg5 h LEU 45 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wg5 h LEU 45 CO 0.02 0.26 -1.76 0.77 0.09 0.00 0.00 178.44 177.81 2wg5 h SER 46 N 0.52 0.30 -0.31 -0.43 4.64 -1.38 -1.88 113.55 115.01 2wg5 h SER 46 Ca 0.38 -0.57 0.05 0.00 -0.47 0.00 0.00 61.79 61.18 2wg5 h SER 46 Cb 0.73 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.68 2wg5 h SER 46 CO -0.14 1.50 0.02 0.11 -0.87 0.00 0.00 176.83 177.45 2wg5 h LYS 47 N 0.05 0.12 -0.13 4.77 1.57 -0.76 -1.69 116.57 120.50 2wg5 h LYS 47 Ca -0.33 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 2wg5 h LYS 47 Cb 2.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.30 2wg5 h LYS 47 CO 0.11 0.08 -0.20 -0.91 -0.57 0.00 0.00 179.45 177.96 2wg5 h ASN 48 N 0.12 0.21 -0.41 0.86 2.35 -0.85 -0.21 115.58 117.65 2wg5 h ASN 48 Ca 0.15 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2wg5 h ASN 48 Cb 0.19 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2wg5 h ASN 48 CO -0.23 0.42 0.12 0.22 -1.65 0.00 0.00 177.43 176.31 2wg5 h TYR 49 N 0.20 0.67 -0.25 1.19 5.03 -0.94 -0.96 116.97 121.92 2wg5 h TYR 49 Ca 0.04 -0.07 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 2wg5 h TYR 49 Cb 0.47 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2wg5 h TYR 49 CO 0.01 0.63 -0.42 0.45 -1.32 0.00 0.00 178.16 177.50 2wg5 h HIS 50 N 0.53 0.74 -0.25 -3.82 3.86 -0.83 -2.22 115.15 113.15 2wg5 h HIS 50 Ca 0.13 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2wg5 h HIS 50 Cb 0.27 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2wg5 h HIS 50 CO 0.01 0.93 0.12 -0.07 0.86 0.00 0.00 177.93 179.79 2wg5 h LEU 51 N 0.50 0.33 -1.88 2.43 3.38 -0.95 -1.49 115.31 117.63 2wg5 h LEU 51 Ca 0.04 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2wg5 h LEU 51 Cb 0.94 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2wg5 h LEU 51 CO 0.08 0.36 0.13 -0.33 0.09 0.00 0.00 178.44 178.77 2wg5 h GLU 52 N 0.28 0.16 -0.03 1.13 5.08 -0.99 -0.96 114.58 119.24 2wg5 h GLU 52 Ca 0.09 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2wg5 h GLU 52 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wg5 h GLU 52 CO -0.01 0.11 -0.89 -0.97 -1.00 0.00 0.00 179.01 176.25 2wg5 h ASN 53 N 0.17 0.60 -0.40 1.42 -1.24 -1.06 -1.67 115.58 113.40 2wg5 h ASN 53 Ca 0.08 -0.45 -0.07 0.00 0.71 0.00 0.00 56.30 56.57 2wg5 h ASN 53 Cb 0.11 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 2wg5 h ASN 53 CO -0.01 1.24 -0.03 -0.08 -1.29 0.00 0.00 177.43 177.26 2wg5 h GLU 54 N 0.29 0.72 -0.00 6.67 4.57 -0.47 -1.26 114.58 125.10 2wg5 h GLU 54 Ca -0.07 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2wg5 h GLU 54 Cb 1.51 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.02 2wg5 h GLU 54 CO 0.16 0.82 -0.08 0.28 -1.18 0.00 0.00 179.01 179.01 2wg5 h VAL 55 N 0.54 0.80 -0.75 0.32 2.07 -1.16 -1.30 116.25 116.77 2wg5 h VAL 55 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.73 2wg5 h VAL 55 Cb 0.51 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 2wg5 h VAL 55 CO 0.03 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.00 2wg5 h ALA 56 N 0.85 1.05 -0.73 1.67 0.00 -1.22 -0.44 119.26 120.45 2wg5 h ALA 56 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wg5 h ALA 56 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2wg5 h ALA 56 CO -0.08 -0.02 0.24 0.00 0.00 0.00 0.00 179.25 179.39 2wg5 h ARG 57 N 0.65 1.12 0.00 0.00 3.08 -0.96 -2.47 114.38 115.79 2wg5 h ARG 57 Ca 0.37 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wg5 h ARG 57 Cb 0.39 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2wg5 h ARG 57 CO -0.27 0.94 -0.37 -0.07 -1.07 0.00 0.00 179.97 179.13 2wg5 h LEU 58 N 1.08 0.00 -0.24 3.04 3.38 -0.54 -3.29 115.31 118.74 2wg5 h LEU 58 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2wg5 h LEU 58 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wg5 h LEU 58 CO -0.01 0.01 -0.67 0.54 0.09 0.00 0.00 178.44 178.40 2wg5 n ARG 59 N -2.78 0.32 -2.29 1.13 1.74 -0.24 -4.96 116.66 109.58 2wg5 n ARG 59 Ca 0.03 -0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 2wg5 n ARG 59 Cb 0.52 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.84 6.96 0.67 0.55 1.04 -0.94 -4.96 113.70 114.18 2wg5 s SER 60 Ca 0.13 2.24 -0.16 0.00 0.48 0.00 0.00 55.95 58.64 2wg5 s SER 60 Cb 0.17 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2wg5 s SER 60 CO 0.72 -0.52 1.18 -2.84 0.98 0.00 0.00 173.24 172.77 2wg5 s PRO 61 N 0.55 2.54 0.82 4.02 0.02 -1.26 -5.01 135.00 136.68 2wg5 s PRO 61 Ca 0.59 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 63.22 2wg5 s PRO 61 Cb -0.34 -1.89 0.14 0.00 0.02 0.00 0.00 34.50 32.43 2wg5 s PRO 61 CO 0.33 -1.51 1.14 -1.25 -0.33 0.00 0.00 177.00 175.38 2wg5 s PRO 62 N -3.77 1.40 0.01 5.54 0.04 -1.26 -5.05 135.00 131.92 2wg5 s PRO 62 Ca 0.74 -0.58 0.05 0.00 0.04 0.00 0.00 61.00 61.25 2wg5 s PRO 62 Cb -0.28 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2wg5 s PRO 62 CO 0.41 -1.79 -0.14 -0.51 0.04 0.00 0.00 177.00 175.01 2wg5 s LEU 63 N -5.48 2.80 -0.00 -3.56 1.43 -1.26 -4.15 118.68 108.46 2wg5 s LEU 63 Ca 0.68 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 53.30 2wg5 s LEU 63 Cb -0.06 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 2wg5 s LEU 63 CO 0.48 0.28 0.54 -0.22 0.23 0.00 0.00 176.35 177.66 2wg5 s LEU 64 N -1.28 4.43 -0.01 1.79 2.96 -0.34 -4.76 118.68 121.47 2wg5 s LEU 64 Ca 0.15 1.10 -0.20 0.00 -0.22 0.00 0.00 54.13 54.95 2wg5 s LEU 64 Cb -0.11 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 2wg5 s LEU 64 CO 0.05 0.16 0.59 -0.69 -1.32 0.00 0.00 176.35 175.14 2wg5 s VAL 65 N -0.42 4.93 0.17 1.68 1.01 -1.26 0.16 120.40 126.67 2wg5 s VAL 65 Ca 0.29 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2wg5 s VAL 65 Cb -0.18 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2wg5 s VAL 65 CO 0.16 0.41 0.17 0.61 0.00 0.00 0.00 175.10 176.45 2wg5 n GLY 66 N 2.50 3.23 2.95 4.51 0.00 -0.36 -0.70 105.19 117.31 2wg5 n GLY 66 Ca -0.07 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.67 0.72 0.18 1.61 1.01 -0.43 -1.27 120.40 119.55 2wg5 s VAL 67 Ca 0.19 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 2wg5 s VAL 67 Cb 0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.59 2wg5 s VAL 67 CO 0.13 0.25 1.56 -0.69 0.00 0.00 0.00 175.10 176.36 2wg5 s VAL 68 N 0.67 2.57 -0.22 2.92 1.01 0.53 -0.71 120.40 127.17 2wg5 s VAL 68 Ca -0.10 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 2wg5 s VAL 68 Cb -0.13 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 2wg5 s VAL 68 CO 0.01 0.04 -0.27 -0.24 0.00 0.00 0.00 175.10 174.64 2wg5 n SER 69 N 3.71 1.79 -3.47 3.32 2.88 0.89 -1.03 113.62 121.71 2wg5 n SER 69 Ca 0.13 0.17 -0.14 0.00 -1.33 0.00 0.00 58.87 57.71 2wg5 n SER 69 Cb 0.38 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 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 -6.79 -0.56 -0.20 -3.46 -4.77 -1.03 -4.76 116.67 95.10 2wg5 s ASP 70 Ca -0.31 0.19 -0.11 0.00 -3.30 0.00 0.00 52.55 49.02 2wg5 s ASP 70 Cb 0.11 0.57 -0.05 0.00 -1.09 0.00 0.00 42.92 42.46 2wg5 s ASP 70 CO 0.42 -0.84 0.18 -0.63 0.70 0.00 0.00 175.17 175.00 2wg5 s ILE 71 N -2.95 5.37 0.39 2.11 -1.09 -1.26 -0.45 121.20 123.32 2wg5 s ILE 71 Ca -0.03 0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.65 2wg5 s ILE 71 Cb -0.01 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 2wg5 s ILE 71 CO -0.06 0.40 0.65 -0.76 -1.23 0.00 0.00 174.94 173.95 2wg5 s LEU 72 N 0.55 3.86 0.31 2.97 1.43 0.87 -4.99 118.68 123.68 2wg5 s LEU 72 Ca 0.10 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2wg5 s LEU 72 Cb -0.12 -3.61 0.49 0.00 0.03 0.00 0.00 46.19 42.99 2wg5 s LEU 72 CO 0.01 -0.39 1.88 1.05 0.23 0.00 0.00 176.35 179.12 2wg5 h GLU 73 N 0.73 0.77 0.00 1.70 4.11 -1.98 -1.94 114.58 117.97 2wg5 h GLU 73 Ca -0.48 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 58.82 2wg5 h GLU 73 Cb 1.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2wg5 h GLU 73 CO 0.62 0.66 0.00 -0.40 0.07 0.00 0.00 179.01 179.97 2wg5 n ASP 74 N -4.31 0.00 0.00 3.06 5.75 -1.26 -4.85 116.55 114.94 2wg5 n ASP 74 Ca 0.04 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 2wg5 n ASP 74 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2wg5 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wg5 n GLY 75 N 0.39 0.68 3.89 6.12 0.00 -0.73 -5.06 105.19 110.48 2wg5 n GLY 75 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.77 3.63 0.02 1.61 0.52 -1.26 -4.50 118.95 118.20 2wg5 s ARG 76 Ca 0.00 0.42 0.07 0.00 -0.52 0.00 0.00 55.73 55.69 2wg5 s ARG 76 Cb 0.00 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 2wg5 s ARG 76 CO 0.00 -0.25 -0.20 0.08 0.02 0.00 0.00 175.30 174.95 2wg5 s VAL 77 N -2.74 1.62 -0.27 3.52 1.01 -0.44 -0.09 120.40 123.01 2wg5 s VAL 77 Ca 0.50 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2wg5 s VAL 77 Cb -0.10 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2wg5 s VAL 77 CO 0.43 0.30 0.26 -0.69 0.00 0.00 0.00 175.10 175.40 2wg5 s VAL 78 N -0.67 5.26 -0.05 2.92 1.01 0.41 -0.42 120.40 128.86 2wg5 s VAL 78 Ca 0.07 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.46 2wg5 s VAL 78 Cb -0.08 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2wg5 s VAL 78 CO 0.01 0.23 -0.23 -0.69 0.00 0.00 0.00 175.10 174.41 2wg5 s VAL 79 N 1.75 1.90 -0.46 2.92 1.01 0.17 -0.08 120.40 127.63 2wg5 s VAL 79 Ca 0.11 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 2wg5 s VAL 79 Cb -0.16 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2wg5 s VAL 79 CO 0.10 0.53 0.56 -0.75 0.00 0.00 0.00 175.10 175.54 2wg5 s LYS 80 N -0.15 3.15 0.65 2.72 2.47 0.11 -1.14 119.74 127.56 2wg5 s LYS 80 Ca -0.03 -0.71 -0.14 0.00 -1.56 0.00 0.00 55.97 53.54 2wg5 s LYS 80 Cb -0.13 -4.01 -0.01 0.00 -1.46 0.00 0.00 37.83 32.22 2wg5 s LYS 80 CO 0.03 -1.03 1.07 -1.54 0.16 0.00 0.00 175.35 174.04 2wg5 s SER 81 N 2.18 5.45 0.20 1.43 1.04 -0.35 -1.31 113.70 122.34 2wg5 s SER 81 Ca 0.16 1.79 0.24 0.00 0.48 0.00 0.00 55.95 58.62 2wg5 s SER 81 Cb -0.17 -2.52 0.91 0.00 0.10 0.00 0.00 66.02 64.33 2wg5 s SER 81 CO 0.14 -1.40 1.74 -1.54 0.98 0.00 0.00 173.24 173.17 2wg5 n SER 82 N -2.53 0.63 0.15 7.02 3.41 0.12 -2.14 113.62 120.29 2wg5 n SER 82 Ca 0.09 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 2wg5 n SER 82 Cb 0.53 -0.76 0.54 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.93 -3.48 112.91 115.51 2wg5 h THR 83 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2wg5 h THR 83 Cb 0.52 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 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 -0.24 2.79 3.75 5.82 0.00 -0.91 -5.12 105.19 111.27 2wg5 n GLY 84 Ca 0.01 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 1.43 -0.03 1.61 0.02 -1.26 -4.54 135.00 132.22 2wg5 s PRO 85 Ca 0.00 0.68 -0.01 0.00 0.02 0.00 0.00 61.00 61.69 2wg5 s PRO 85 Cb 0.00 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2wg5 s PRO 85 CO 0.00 -2.09 0.06 0.15 -0.33 0.00 0.00 177.00 174.79 2wg5 s LYS 86 N -5.04 3.03 0.04 5.54 1.02 -1.26 -1.20 119.74 121.87 2wg5 s LYS 86 Ca 0.63 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 56.20 2wg5 s LYS 86 Cb -0.17 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 2wg5 s LYS 86 CO 0.56 0.66 -0.14 -0.06 -0.92 0.00 0.00 175.35 175.45 2wg5 s PHE 87 N -1.11 1.18 -0.28 3.18 0.08 -0.29 -4.98 117.98 115.76 2wg5 s PHE 87 Ca 0.20 -0.37 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 2wg5 s PHE 87 Cb -0.12 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 2wg5 s PHE 87 CO 0.11 0.03 0.43 0.08 -0.10 0.00 0.00 175.22 175.77 2wg5 s VAL 88 N -0.93 5.12 0.20 -0.44 1.01 -1.26 -0.65 120.40 123.45 2wg5 s VAL 88 Ca 0.00 0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.63 2wg5 s VAL 88 Cb -0.08 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2wg5 s VAL 88 CO 0.01 0.06 -0.10 0.68 0.00 0.00 0.00 175.10 175.76 2wg5 s VAL 89 N 2.18 1.45 0.46 2.92 -7.23 0.43 -4.94 120.40 115.67 2wg5 s VAL 89 Ca 0.17 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 58.07 2wg5 s VAL 89 Cb -0.16 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.61 2wg5 s VAL 89 CO 0.10 -0.55 0.89 0.20 -0.31 0.00 0.00 175.10 175.43 2wg5 s ASN 90 N -3.29 6.60 0.75 4.85 0.01 -1.26 -1.32 114.94 121.28 2wg5 s ASN 90 Ca 0.23 1.39 -0.07 0.00 -0.71 0.00 0.00 52.86 53.70 2wg5 s ASN 90 Cb 0.02 -2.43 0.09 0.00 0.41 0.00 0.00 41.25 39.34 2wg5 s ASN 90 CO 0.06 -0.49 1.06 0.42 -1.51 0.00 0.00 177.10 176.64 2wg5 s THR 91 N -2.48 2.21 0.12 1.60 -4.23 -1.26 -1.06 115.64 110.54 2wg5 s THR 91 Ca 0.56 -0.28 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 2wg5 s THR 91 Cb -0.10 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 2wg5 s THR 91 CO 0.30 0.00 0.10 -0.94 -0.54 0.00 0.00 174.62 173.54 2wg5 s SER 92 N -4.61 0.26 0.53 3.99 1.04 -0.93 -4.71 113.70 109.28 2wg5 s SER 92 Ca 0.63 -1.06 0.32 0.00 0.48 0.00 0.00 55.95 56.32 2wg5 s SER 92 Cb -0.09 0.31 1.31 0.00 0.10 0.00 0.00 66.02 67.66 2wg5 s SER 92 CO 0.46 -0.74 1.97 0.06 0.98 0.00 0.00 173.24 175.96 2wg5 h GLN 93 N 2.83 0.00 0.00 4.02 3.07 -1.94 -2.92 115.11 120.17 2wg5 h GLN 93 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 2wg5 h GLN 93 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2wg5 h GLN 93 CO 0.58 0.06 0.00 0.66 0.09 0.00 0.00 178.83 180.21 2wg5 n TYR 94 N -3.19 0.36 0.46 0.06 4.01 -1.26 -0.29 117.16 117.31 2wg5 n TYR 94 Ca 0.00 0.17 0.11 0.00 -0.16 0.00 0.00 57.90 58.02 2wg5 n TYR 94 Cb 0.32 -0.77 0.44 0.00 -0.31 0.00 0.00 39.34 39.02 2wg5 n TYR 94 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2wg5 n ILE 95 N -1.85 0.83 0.00 -0.72 5.41 -1.08 -4.65 119.36 117.30 2wg5 n ILE 95 Ca 0.01 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.94 2wg5 n ILE 95 Cb 0.08 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 2wg5 n ILE 95 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2wg5 n ASN 96 N -2.01 0.00 -0.00 4.38 3.02 0.60 -2.31 115.26 118.94 2wg5 n ASN 96 Ca 0.03 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.61 2wg5 n ASN 96 Cb 0.23 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 2wg5 n ASN 96 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wg5 n GLU 97 N 0.00 3.42 -1.52 3.52 1.02 -1.26 -5.02 120.64 120.79 2wg5 n GLU 97 Ca 0.00 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 2wg5 n GLU 97 Cb 0.00 -0.93 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 2wg5 n GLU 97 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wg5 n GLU 98 N -1.33 0.88 -3.90 3.49 -0.58 -0.98 -4.97 120.64 113.26 2wg5 n GLU 98 Ca 0.01 0.32 -0.36 0.00 -0.42 0.00 0.00 57.16 56.71 2wg5 n GLU 98 Cb 0.13 -1.74 -0.06 0.00 -0.57 0.00 0.00 31.44 29.21 2wg5 n GLU 98 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wg5 s GLU 99 N -1.80 3.43 -0.20 3.49 -1.05 -1.26 -5.04 118.70 116.28 2wg5 s GLU 99 Ca 0.64 -0.21 -0.12 0.00 -0.15 0.00 0.00 54.97 55.13 2wg5 s GLU 99 Cb -0.58 -3.15 -0.05 0.00 -0.44 0.00 0.00 34.13 29.91 2wg5 s GLU 99 CO 0.57 0.74 0.21 -0.51 0.95 0.00 0.00 175.26 177.21 2wg5 s LEU 100 N -1.38 4.18 0.06 1.83 1.43 -1.26 -5.03 118.68 118.51 2wg5 s LEU 100 Ca 0.20 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.54 2wg5 s LEU 100 Cb -0.12 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 2wg5 s LEU 100 CO 0.10 0.09 0.06 -1.59 0.23 0.00 0.00 176.35 175.24 2wg5 s LYS 101 N 0.72 0.68 0.14 1.70 -2.85 -1.26 -5.05 119.74 113.82 2wg5 s LYS 101 Ca 0.11 -1.06 -0.34 0.00 -1.00 0.00 0.00 55.97 53.68 2wg5 s LYS 101 Cb -0.13 0.25 -0.17 0.00 -2.06 0.00 0.00 37.83 35.73 2wg5 s LYS 101 CO 0.02 -0.17 1.10 -2.30 0.10 0.00 0.00 175.35 174.11 2wg5 n PRO 102 N 0.16 0.85 -0.09 1.78 -0.02 -1.26 -1.34 135.00 135.09 2wg5 n PRO 102 Ca -0.15 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2wg5 n PRO 102 Cb 0.61 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.98 0.81 3.75 -1.23 0.00 -0.20 -4.98 105.19 105.32 2wg5 n GLY 103 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 3.46 -0.14 4.61 0.00 -0.45 -4.72 121.76 122.15 2wg5 s ALA 104 Ca 0.00 1.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 2wg5 s ALA 104 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2wg5 s ALA 104 CO 0.00 -0.41 0.67 0.50 0.00 0.00 0.00 175.76 176.52 2wg5 s ARG 105 N -0.93 4.32 0.17 0.00 3.52 -1.26 -0.35 118.95 124.42 2wg5 s ARG 105 Ca 0.50 0.76 0.08 0.00 -0.13 0.00 0.00 55.73 56.95 2wg5 s ARG 105 Cb -0.35 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 2wg5 s ARG 105 CO 0.42 -0.10 -0.18 0.14 -0.81 0.00 0.00 175.30 174.77 2wg5 s VAL 106 N 1.40 1.82 -0.12 7.11 -7.23 -0.39 0.59 120.40 123.58 2wg5 s VAL 106 Ca 0.33 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2wg5 s VAL 106 Cb -0.17 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2wg5 s VAL 106 CO 0.14 -0.33 -0.06 0.00 -0.31 0.00 0.00 175.10 174.54 2wg5 s ALA 107 N -2.08 2.97 -0.02 1.32 0.00 -0.64 -1.23 121.76 122.08 2wg5 s ALA 107 Ca 0.16 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.32 2wg5 s ALA 107 Cb -0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2wg5 s ALA 107 CO 0.07 0.37 -0.17 -0.51 0.00 0.00 0.00 175.76 175.52 2wg5 s LEU 108 N -0.15 2.61 0.25 0.00 1.43 0.12 -1.12 118.68 121.83 2wg5 s LEU 108 Ca 0.02 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.52 2wg5 s LEU 108 Cb -0.13 -1.52 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 2wg5 s LEU 108 CO 0.03 0.32 1.62 -3.20 0.23 0.00 0.00 176.35 175.34 2wg5 n ASN 109 N 2.12 3.72 -0.15 2.29 2.85 -0.40 -1.19 115.26 124.50 2wg5 n ASN 109 Ca -0.17 1.11 -0.03 0.00 -0.11 0.00 0.00 54.58 55.39 2wg5 n ASN 109 Cb 0.52 -1.56 0.18 0.00 1.24 0.00 0.00 39.78 40.17 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 5.48 0.87 0.07 1.20 4.15 -1.92 0.38 115.11 125.34 2wg5 h GLN 110 Ca -0.45 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 58.66 2wg5 h GLN 110 Cb 1.22 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.78 2wg5 h GLN 110 CO 0.85 0.76 -0.66 1.96 -1.93 0.00 0.00 178.83 179.81 2wg5 h GLN 111 N 0.84 0.16 0.00 1.69 1.08 -1.92 -3.39 115.11 113.57 2wg5 h GLN 111 Ca 0.19 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2wg5 h GLN 111 Cb 0.26 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2wg5 h GLN 111 CO -0.01 1.13 -1.17 0.25 -0.95 0.00 0.00 178.83 178.08 2wg5 n THR 112 N -4.29 0.10 -0.95 -0.54 -2.24 -1.21 -4.95 114.28 100.20 2wg5 n THR 112 Ca -0.16 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2wg5 n THR 112 Cb 0.70 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.90 0.94 -4.69 3.22 4.77 0.13 -4.81 117.00 114.67 2wg5 n LEU 113 Ca 0.01 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.56 2wg5 n LEU 113 Cb 0.43 -2.28 -0.02 0.00 -2.33 0.00 0.00 43.42 39.23 2wg5 n LEU 113 CO 0.42 -0.89 0.99 0.00 -1.33 0.00 0.00 177.39 176.57 2wg5 n ALA 114 N 1.00 1.32 -2.12 -1.18 0.00 -1.26 -4.53 120.51 113.74 2wg5 n ALA 114 Ca 0.00 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2wg5 n ALA 114 Cb 0.42 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 -0.49 3.65 -0.08 0.00 1.01 -0.22 -1.28 121.20 123.79 2wg5 s ILE 115 Ca 0.62 0.91 0.07 0.00 0.00 0.00 0.00 60.65 62.25 2wg5 s ILE 115 Cb -0.60 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 2wg5 s ILE 115 CO 0.55 -0.05 0.03 1.33 0.00 0.00 0.00 174.94 176.80 2wg5 n VAL 116 N 5.13 0.53 -4.02 2.92 0.24 -0.27 -2.19 118.33 120.67 2wg5 n VAL 116 Ca 0.15 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 2wg5 n VAL 116 Cb 0.43 -0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 31.91 2wg5 n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2wg5 s ASN 117 N -3.97 0.34 -0.19 -1.34 0.02 -1.12 -2.64 114.94 106.05 2wg5 s ASN 117 Ca -0.04 -0.76 -0.09 0.00 -1.02 0.00 0.00 52.86 50.95 2wg5 s ASN 117 Cb 0.02 0.19 -0.05 0.00 0.02 0.00 0.00 41.25 41.43 2wg5 s ASN 117 CO 0.32 -0.51 0.11 -0.69 0.02 0.00 0.00 177.10 176.35 2wg5 s VAL 118 N -3.04 5.27 0.11 1.60 1.01 -1.26 -1.61 120.40 122.48 2wg5 s VAL 118 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 2wg5 s VAL 118 Cb 0.02 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2wg5 s VAL 118 CO -0.07 0.46 0.28 -0.76 0.00 0.00 0.00 175.10 175.01 2wg5 s LEU 119 N 0.23 4.32 0.00 3.92 1.43 0.20 -4.94 118.68 123.85 2wg5 s LEU 119 Ca 0.08 0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 2wg5 s LEU 119 Cb -0.11 -3.04 0.26 0.00 0.03 0.00 0.00 46.19 43.33 2wg5 s LEU 119 CO -0.01 0.10 0.74 -0.81 0.23 0.00 0.00 176.35 176.60