#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 0.00 0.11 2.12 3.64 -2.05 -2.66 116.57 117.72 2wg5 h LYS 35 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2wg5 h LYS 35 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wg5 h LYS 35 CO 0.00 0.07 -0.05 0.37 -2.27 0.00 0.00 179.45 177.57 2wg5 h GLN 36 N 0.00 -0.14 -0.25 1.90 4.15 -2.05 -1.89 115.11 116.82 2wg5 h GLN 36 Ca -0.00 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.48 2wg5 h GLN 36 Cb 0.84 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.51 2wg5 h GLN 36 CO 0.01 0.08 -0.10 -0.07 -1.93 0.00 0.00 178.83 176.82 2wg5 h LEU 37 N -0.35 -0.34 -1.61 -2.39 3.38 -1.99 -1.64 115.31 110.38 2wg5 h LEU 37 Ca -0.02 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2wg5 h LEU 37 Cb 0.29 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2wg5 h LEU 37 CO 0.02 -0.13 0.31 -0.33 0.09 0.00 0.00 178.44 178.40 2wg5 h GLU 38 N -0.06 0.50 -0.13 1.13 5.08 -1.41 -0.83 114.58 118.87 2wg5 h GLU 38 Ca 0.13 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 2wg5 h GLU 38 Cb 0.25 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wg5 h GLU 38 CO -0.29 0.33 -0.70 -0.44 -1.00 0.00 0.00 179.01 176.91 2wg5 h ASP 39 N 0.52 0.67 -0.49 1.42 5.19 -0.88 -2.65 116.42 120.22 2wg5 h ASP 39 Ca 0.18 -0.42 -0.04 0.00 -0.62 0.00 0.00 57.03 56.13 2wg5 h ASP 39 Cb 0.09 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2wg5 h ASP 39 CO -0.05 1.18 0.15 0.50 -3.12 0.00 0.00 179.24 177.90 2wg5 h LYS 40 N 0.41 0.76 -0.63 3.56 3.64 -0.29 0.57 116.57 124.58 2wg5 h LYS 40 Ca -0.03 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2wg5 h LYS 40 Cb 1.29 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2wg5 h LYS 40 CO 0.13 0.72 0.34 0.28 -2.27 0.00 0.00 179.45 178.65 2wg5 h VAL 41 N 0.66 0.96 0.12 2.00 2.07 -1.20 0.32 116.25 121.18 2wg5 h VAL 41 Ca 0.16 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2wg5 h VAL 41 Cb 0.28 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2wg5 h VAL 41 CO -0.00 0.12 -0.11 -0.08 0.02 0.00 0.00 177.57 177.51 2wg5 h GLU 42 N 0.64 -0.25 -0.34 1.57 4.81 -1.07 0.23 114.58 120.17 2wg5 h GLU 42 Ca 0.28 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.39 2wg5 h GLU 42 Cb 0.18 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2wg5 h GLU 42 CO -0.18 -0.17 -0.34 1.05 -0.73 0.00 0.00 179.01 178.65 2wg5 h GLU 43 N -0.26 0.77 -0.03 1.92 4.11 -0.54 -2.11 114.58 118.45 2wg5 h GLU 43 Ca 0.00 -0.37 -0.00 0.00 0.07 0.00 0.00 59.36 59.07 2wg5 h GLU 43 Cb 0.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2wg5 h GLU 43 CO -0.03 0.99 0.01 -0.07 0.07 0.00 0.00 179.01 179.98 2wg5 h LEU 44 N 0.64 0.04 -1.25 3.06 3.38 -0.87 0.19 115.31 120.49 2wg5 h LEU 44 Ca 0.07 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.07 2wg5 h LEU 44 Cb 0.88 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 2wg5 h LEU 44 CO 0.08 0.15 0.59 -0.07 0.09 0.00 0.00 178.44 179.27 2wg5 h LEU 45 N -0.07 0.67 -0.01 1.67 3.38 -0.89 0.15 115.31 120.20 2wg5 h LEU 45 Ca 0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wg5 h LEU 45 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wg5 h LEU 45 CO -0.00 0.32 -0.01 -1.28 0.09 0.00 0.00 178.44 177.56 2wg5 h SER 46 N 0.69 0.03 -0.56 -0.43 0.87 -0.62 -2.07 113.55 111.46 2wg5 h SER 46 Ca 0.47 -0.44 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2wg5 h SER 46 Cb 0.79 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 2wg5 h SER 46 CO -0.23 0.46 0.26 0.11 -0.53 0.00 0.00 176.83 176.90 2wg5 h LYS 47 N -0.41 0.48 -0.63 2.24 1.57 -0.14 -2.30 116.57 117.39 2wg5 h LYS 47 Ca 0.00 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2wg5 h LYS 47 Cb 0.45 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2wg5 h LYS 47 CO 0.00 0.32 0.08 -0.91 -0.57 0.00 0.00 179.45 178.37 2wg5 h ASN 48 N 0.49 1.02 -0.68 0.86 2.35 -0.71 -1.27 115.58 117.64 2wg5 h ASN 48 Ca 0.26 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2wg5 h ASN 48 Cb 0.22 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2wg5 h ASN 48 CO -0.21 1.03 0.43 0.22 -1.65 0.00 0.00 177.43 177.26 2wg5 h TYR 49 N 0.96 0.81 -0.37 1.19 3.20 -1.11 0.26 116.97 121.91 2wg5 h TYR 49 Ca 0.19 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2wg5 h TYR 49 Cb 0.46 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2wg5 h TYR 49 CO 0.03 0.48 -0.04 0.45 -1.64 0.00 0.00 178.16 177.45 2wg5 h HIS 50 N 0.86 0.75 -0.29 -3.82 3.86 -0.96 -1.74 115.15 113.81 2wg5 h HIS 50 Ca 0.27 -0.14 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 2wg5 h HIS 50 Cb -0.02 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 2wg5 h HIS 50 CO -0.04 0.80 0.09 -0.07 0.86 0.00 0.00 177.93 179.57 2wg5 h LEU 51 N 0.49 0.08 -1.81 2.43 3.38 -1.16 -1.14 115.31 117.57 2wg5 h LEU 51 Ca 0.10 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2wg5 h LEU 51 Cb 0.52 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2wg5 h LEU 51 CO 0.03 0.08 0.32 -0.33 0.09 0.00 0.00 178.44 178.62 2wg5 h GLU 52 N 0.21 0.21 -0.11 1.13 5.08 -0.66 -0.70 114.58 119.75 2wg5 h GLU 52 Ca 0.13 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.29 2wg5 h GLU 52 Cb 0.11 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2wg5 h GLU 52 CO -0.15 0.14 -0.69 -0.97 -1.00 0.00 0.00 179.01 176.34 2wg5 h ASN 53 N 0.22 0.79 -0.63 1.42 -1.24 -1.05 -1.53 115.58 113.56 2wg5 h ASN 53 Ca 0.21 -0.66 -0.07 0.00 0.71 0.00 0.00 56.30 56.49 2wg5 h ASN 53 Cb 0.55 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 2wg5 h ASN 53 CO -0.04 1.32 0.12 -0.08 -1.29 0.00 0.00 177.43 177.46 2wg5 h GLU 54 N 0.32 1.05 -0.28 6.67 4.57 -0.25 -1.04 114.58 125.62 2wg5 h GLU 54 Ca -0.06 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 2wg5 h GLU 54 Cb 1.33 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2wg5 h GLU 54 CO 0.14 0.96 0.15 0.28 -1.18 0.00 0.00 179.01 179.36 2wg5 h VAL 55 N 0.99 1.13 -0.71 0.32 2.07 -1.08 -1.38 116.25 117.58 2wg5 h VAL 55 Ca 0.20 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2wg5 h VAL 55 Cb 0.41 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2wg5 h VAL 55 CO 0.01 0.13 0.37 0.00 0.02 0.00 0.00 177.57 178.10 2wg5 h ALA 56 N 1.03 0.91 -0.51 1.67 0.00 -0.97 -0.95 119.26 120.45 2wg5 h ALA 56 Ca 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2wg5 h ALA 56 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2wg5 h ALA 56 CO -0.02 0.44 0.06 0.00 0.00 0.00 0.00 179.25 179.74 2wg5 h ARG 57 N 0.98 0.81 0.00 0.00 3.08 -0.97 -2.42 114.38 115.86 2wg5 h ARG 57 Ca 0.25 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wg5 h ARG 57 Cb 0.06 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wg5 h ARG 57 CO -0.04 0.77 -0.62 -0.07 -1.07 0.00 0.00 179.97 178.94 2wg5 h LEU 58 N 0.77 0.00 -0.14 3.04 3.38 -0.69 -3.26 115.31 118.41 2wg5 h LEU 58 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wg5 h LEU 58 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2wg5 h LEU 58 CO 0.01 0.02 -0.60 0.54 0.09 0.00 0.00 178.44 178.50 2wg5 n ARG 59 N -2.67 0.20 -2.03 1.13 1.74 -0.41 -4.94 116.66 109.67 2wg5 n ARG 59 Ca 0.02 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 2wg5 n ARG 59 Cb 0.52 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.90 6.68 0.57 0.55 1.04 -0.92 -4.95 113.70 113.78 2wg5 s SER 60 Ca 0.13 2.59 -0.20 0.00 0.48 0.00 0.00 55.95 58.94 2wg5 s SER 60 Cb 0.17 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 2wg5 s SER 60 CO 0.71 -0.71 1.26 -2.84 0.98 0.00 0.00 173.24 172.64 2wg5 s PRO 61 N 0.24 3.04 0.79 4.02 0.02 -1.26 -5.01 135.00 136.84 2wg5 s PRO 61 Ca 0.63 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.51 2wg5 s PRO 61 Cb -0.41 -2.06 0.08 0.00 0.02 0.00 0.00 34.50 32.13 2wg5 s PRO 61 CO 0.38 -1.19 1.14 -1.25 -0.33 0.00 0.00 177.00 175.76 2wg5 s PRO 62 N -3.15 1.95 -0.00 5.54 0.04 -1.26 -5.06 135.00 133.06 2wg5 s PRO 62 Ca 0.75 -0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.79 2wg5 s PRO 62 Cb -0.34 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 2wg5 s PRO 62 CO 0.38 -1.55 0.00 -0.51 0.04 0.00 0.00 177.00 175.37 2wg5 s LEU 63 N -5.51 3.52 -0.03 -3.56 1.43 -1.26 -4.22 118.68 109.05 2wg5 s LEU 63 Ca 0.62 -0.00 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 2wg5 s LEU 63 Cb -0.11 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2wg5 s LEU 63 CO 0.48 0.28 0.44 -0.22 0.23 0.00 0.00 176.35 177.56 2wg5 s LEU 64 N -1.56 4.42 0.04 1.79 2.96 -0.25 -4.77 118.68 121.32 2wg5 s LEU 64 Ca 0.20 0.93 -0.19 0.00 -0.22 0.00 0.00 54.13 54.84 2wg5 s LEU 64 Cb -0.12 -2.64 -0.06 0.00 0.50 0.00 0.00 46.19 43.88 2wg5 s LEU 64 CO 0.10 0.22 0.57 -0.69 -1.32 0.00 0.00 176.35 175.24 2wg5 s VAL 65 N -0.56 4.81 0.12 1.68 1.01 -1.26 -0.46 120.40 125.75 2wg5 s VAL 65 Ca 0.24 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.44 2wg5 s VAL 65 Cb -0.16 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2wg5 s VAL 65 CO 0.13 0.51 0.13 0.61 0.00 0.00 0.00 175.10 176.48 2wg5 n GLY 66 N 1.99 3.30 3.02 4.51 0.00 -0.24 -0.82 105.19 116.94 2wg5 n GLY 66 Ca -0.09 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.52 0.94 0.20 1.61 1.01 -0.21 -0.73 120.40 120.70 2wg5 s VAL 67 Ca 0.13 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 2wg5 s VAL 67 Cb 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 36.38 35.43 2wg5 s VAL 67 CO 0.09 0.29 1.61 -0.69 0.00 0.00 0.00 175.10 176.41 2wg5 s VAL 68 N 0.36 2.37 -0.26 2.92 1.01 0.10 -0.62 120.40 126.27 2wg5 s VAL 68 Ca -0.07 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2wg5 s VAL 68 Cb -0.11 -3.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.96 2wg5 s VAL 68 CO 0.01 0.03 -0.26 -0.24 0.00 0.00 0.00 175.10 174.64 2wg5 n SER 69 N 3.66 1.94 -3.53 3.32 2.88 0.11 -1.08 113.62 120.92 2wg5 n SER 69 Ca 0.13 0.36 -0.09 0.00 -1.33 0.00 0.00 58.87 57.93 2wg5 n SER 69 Cb 0.37 -0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 62.96 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 -7.35 -0.38 -0.10 -3.46 -4.77 -1.05 -4.63 116.67 94.92 2wg5 s ASP 70 Ca -0.37 0.15 -0.01 0.00 -3.30 0.00 0.00 52.55 49.02 2wg5 s ASP 70 Cb 0.13 0.37 -0.03 0.00 -1.09 0.00 0.00 42.92 42.30 2wg5 s ASP 70 CO 0.50 -0.54 -0.05 -0.63 0.70 0.00 0.00 175.17 175.16 2wg5 s ILE 71 N -2.46 3.83 0.16 2.11 -1.09 -1.26 -0.20 121.20 122.28 2wg5 s ILE 71 Ca 0.02 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 2wg5 s ILE 71 Cb -0.01 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 2wg5 s ILE 71 CO -0.05 0.56 0.30 -0.76 -1.23 0.00 0.00 174.94 173.76 2wg5 s LEU 72 N -0.36 4.31 0.60 2.97 1.43 0.17 -4.96 118.68 122.84 2wg5 s LEU 72 Ca 0.06 0.23 0.28 0.00 -1.03 0.00 0.00 54.13 53.67 2wg5 s LEU 72 Cb -0.12 -2.97 1.41 0.00 0.03 0.00 0.00 46.19 44.54 2wg5 s LEU 72 CO 0.02 0.04 1.82 -0.08 0.23 0.00 0.00 176.35 178.38 2wg5 h GLU 73 N 2.17 0.00 -0.50 1.70 4.57 -2.00 0.27 114.58 120.78 2wg5 h GLU 73 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2wg5 h GLU 73 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2wg5 h GLU 73 CO 0.69 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 178.12 2wg5 n ASP 74 N -3.51 3.21 0.00 1.04 5.75 -1.26 -4.94 116.55 116.85 2wg5 n ASP 74 Ca 0.08 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2wg5 n ASP 74 Cb 0.71 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 1.46 0.77 3.88 6.12 0.00 0.93 -5.05 105.19 113.31 2wg5 n GLY 75 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.39 3.74 -0.01 1.61 0.52 -1.26 -4.72 118.95 118.44 2wg5 s ARG 76 Ca 0.00 0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.67 2wg5 s ARG 76 Cb 0.00 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 2wg5 s ARG 76 CO 0.00 -0.02 -0.23 0.08 0.02 0.00 0.00 175.30 175.15 2wg5 s VAL 77 N -2.36 1.81 -0.25 3.52 1.01 -1.05 0.42 120.40 123.50 2wg5 s VAL 77 Ca 0.50 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2wg5 s VAL 77 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2wg5 s VAL 77 CO 0.32 0.47 0.35 -0.69 0.00 0.00 0.00 175.10 175.55 2wg5 s VAL 78 N -0.58 5.20 -0.04 2.92 1.01 0.72 -1.44 120.40 128.20 2wg5 s VAL 78 Ca 0.09 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.66 2wg5 s VAL 78 Cb -0.09 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2wg5 s VAL 78 CO -0.00 0.20 -0.15 -0.69 0.00 0.00 0.00 175.10 174.46 2wg5 s VAL 79 N 1.77 3.01 -0.40 2.92 1.01 0.32 0.04 120.40 129.07 2wg5 s VAL 79 Ca 0.15 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 2wg5 s VAL 79 Cb -0.15 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2wg5 s VAL 79 CO 0.09 0.56 0.48 -0.75 0.00 0.00 0.00 175.10 175.47 2wg5 s LYS 80 N -0.82 3.27 0.51 2.72 2.20 0.21 -0.90 119.74 126.94 2wg5 s LYS 80 Ca 0.12 -0.55 -0.19 0.00 -0.36 0.00 0.00 55.97 54.99 2wg5 s LYS 80 Cb -0.11 -3.92 -0.08 0.00 -1.51 0.00 0.00 37.83 32.22 2wg5 s LYS 80 CO 0.01 -0.80 1.02 -1.54 -0.36 0.00 0.00 175.35 173.68 2wg5 s SER 81 N 1.83 6.34 0.48 1.43 1.04 -0.37 -1.04 113.70 123.40 2wg5 s SER 81 Ca 0.15 1.82 0.32 0.00 0.48 0.00 0.00 55.95 58.72 2wg5 s SER 81 Cb -0.16 -2.54 1.47 0.00 0.10 0.00 0.00 66.02 64.88 2wg5 s SER 81 CO 0.14 -0.78 1.96 0.77 0.98 0.00 0.00 173.24 176.31 2wg5 h SER 82 N 1.27 0.00 0.55 7.02 4.64 -1.30 -1.34 113.55 124.39 2wg5 h SER 82 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2wg5 h SER 82 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2wg5 h SER 82 CO 0.59 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 2wg5 n THR 83 N -2.78 0.99 0.00 2.95 -2.24 -1.26 -4.96 114.28 106.98 2wg5 n THR 83 Ca 0.00 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2wg5 n THR 83 Cb 0.21 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 2wg5 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wg5 n GLY 84 N -0.13 2.89 3.70 3.38 0.00 -0.50 -5.11 105.19 109.42 2wg5 n GLY 84 Ca 0.03 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 0.89 -0.05 1.61 0.02 -1.26 -4.58 135.00 131.63 2wg5 s PRO 85 Ca 0.00 0.65 -0.01 0.00 0.02 0.00 0.00 61.00 61.66 2wg5 s PRO 85 Cb 0.00 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.71 2wg5 s PRO 85 CO 0.00 -2.45 0.02 0.15 -0.33 0.00 0.00 177.00 174.39 2wg5 s LYS 86 N -4.97 2.97 0.09 5.54 1.02 -1.26 -1.24 119.74 121.89 2wg5 s LYS 86 Ca 0.64 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 56.21 2wg5 s LYS 86 Cb -0.18 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2wg5 s LYS 86 CO 0.57 0.68 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.52 2wg5 s PHE 87 N -0.99 1.03 -0.24 3.18 0.08 -0.07 -4.97 117.98 116.00 2wg5 s PHE 87 Ca 0.16 -0.64 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 2wg5 s PHE 87 Cb -0.11 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2wg5 s PHE 87 CO 0.06 -0.01 0.36 0.08 -0.10 0.00 0.00 175.22 175.61 2wg5 s VAL 88 N -2.33 5.21 0.12 -0.44 1.01 -1.26 -0.52 120.40 122.19 2wg5 s VAL 88 Ca 0.04 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2wg5 s VAL 88 Cb -0.04 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2wg5 s VAL 88 CO -0.00 0.22 -0.07 0.68 0.00 0.00 0.00 175.10 175.93 2wg5 s VAL 89 N 1.63 0.87 0.69 2.92 -7.23 -0.52 -4.97 120.40 113.79 2wg5 s VAL 89 Ca 0.16 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2wg5 s VAL 89 Cb -0.15 -1.78 0.06 0.00 0.56 0.00 0.00 36.38 35.06 2wg5 s VAL 89 CO 0.08 -0.79 1.00 0.20 -0.31 0.00 0.00 175.10 175.28 2wg5 s ASN 90 N -3.10 4.90 0.01 4.85 0.01 -1.26 -2.53 114.94 117.82 2wg5 s ASN 90 Ca 0.15 0.47 0.07 0.00 -0.71 0.00 0.00 52.86 52.83 2wg5 s ASN 90 Cb 0.04 -1.15 -0.02 0.00 0.41 0.00 0.00 41.25 40.53 2wg5 s ASN 90 CO -0.02 -1.54 -0.21 0.42 -1.51 0.00 0.00 177.10 174.24 2wg5 s THR 91 N -3.21 1.69 0.35 1.60 -4.23 -1.26 -1.11 115.64 109.47 2wg5 s THR 91 Ca 0.59 -1.04 -0.26 0.00 -1.18 0.00 0.00 61.69 59.81 2wg5 s THR 91 Cb -0.11 -1.43 -0.13 0.00 1.34 0.00 0.00 72.50 72.18 2wg5 s THR 91 CO 0.45 0.37 0.97 -0.24 -0.54 0.00 0.00 174.62 175.62 2wg5 n SER 92 N 2.25 1.11 0.30 3.99 2.88 0.42 -4.87 113.62 119.71 2wg5 n SER 92 Ca -0.16 1.10 0.18 0.00 -1.33 0.00 0.00 58.87 58.66 2wg5 n SER 92 Cb 0.53 -1.30 0.95 0.00 -0.75 0.00 0.00 64.21 63.64 2wg5 n SER 92 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2wg5 h GLN 93 N 1.72 0.00 -0.18 -1.46 3.07 -1.98 -2.68 115.11 113.60 2wg5 h GLN 93 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 2wg5 h GLN 93 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.90 2wg5 h GLN 93 CO 0.58 0.03 0.00 0.66 0.09 0.00 0.00 178.83 180.20 2wg5 n TYR 94 N -3.36 0.23 -3.35 0.06 4.01 -1.26 -4.87 117.16 108.63 2wg5 n TYR 94 Ca -0.02 -0.12 -0.38 0.00 -0.16 0.00 0.00 57.90 57.22 2wg5 n TYR 94 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.77 5.20 -0.51 -0.72 -1.09 -1.01 -5.00 121.20 116.30 2wg5 s ILE 95 Ca 0.18 0.87 -0.27 0.00 -2.23 0.00 0.00 60.65 59.20 2wg5 s ILE 95 Cb 0.09 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2wg5 s ILE 95 CO 0.13 0.31 1.89 0.21 -1.23 0.00 0.00 174.94 176.25 2wg5 s ASN 96 N 0.70 5.40 0.42 3.58 2.47 -1.26 -4.87 114.94 121.38 2wg5 s ASN 96 Ca 0.24 0.72 0.28 0.00 0.42 0.00 0.00 52.86 54.52 2wg5 s ASN 96 Cb -0.15 -2.53 1.52 0.00 -1.45 0.00 0.00 41.25 38.64 2wg5 s ASN 96 CO 0.09 -2.20 1.87 -0.33 -3.72 0.00 0.00 177.10 172.81 2wg5 h GLU 97 N 14.68 0.00 -0.79 0.43 3.07 -1.95 0.15 114.58 130.18 2wg5 h GLU 97 Ca -0.28 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.64 2wg5 h GLU 97 Cb 1.17 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.03 2wg5 h GLU 97 CO 1.15 0.00 0.52 0.93 -1.40 0.00 0.00 179.01 180.21 2wg5 h GLU 98 N 0.00 0.84 0.00 2.33 5.08 -2.05 -2.74 114.58 118.05 2wg5 h GLU 98 Ca 0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2wg5 h GLU 98 Cb 0.04 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2wg5 h GLU 98 CO 0.00 0.56 -0.12 0.93 -1.00 0.00 0.00 179.01 179.38 2wg5 h GLU 99 N 0.87 0.00 -6.47 2.33 5.08 -1.09 -3.41 114.58 111.89 2wg5 h GLU 99 Ca 0.34 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.14 2wg5 h GLU 99 Cb 0.21 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 2wg5 h GLU 99 CO -0.11 0.12 0.98 -0.51 -1.00 0.00 0.00 179.01 178.48 2wg5 s LEU 100 N -6.51 3.42 0.09 1.33 1.43 -1.03 -4.87 118.68 112.53 2wg5 s LEU 100 Ca 0.01 -0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2wg5 s LEU 100 Cb 0.09 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.34 2wg5 s LEU 100 CO 0.60 -1.57 0.22 -1.59 0.23 0.00 0.00 176.35 174.25 2wg5 s LYS 101 N 5.11 0.87 0.20 1.70 -2.85 -1.26 -5.01 119.74 118.48 2wg5 s LYS 101 Ca 0.40 -0.90 -0.31 0.00 -1.00 0.00 0.00 55.97 54.17 2wg5 s LYS 101 Cb -0.08 0.36 -0.16 0.00 -2.06 0.00 0.00 37.83 35.89 2wg5 s LYS 101 CO 0.22 -0.28 0.90 -2.30 0.10 0.00 0.00 175.35 173.99 2wg5 n PRO 102 N -0.03 0.72 0.00 1.78 -0.02 -1.26 -1.18 135.00 135.01 2wg5 n PRO 102 Ca -0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2wg5 n PRO 102 Cb 0.62 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.73 3.22 3.73 -1.23 0.00 -0.24 -4.97 105.19 107.44 2wg5 n GLY 103 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.91 3.88 0.01 4.61 0.00 -0.32 -4.69 121.76 123.34 2wg5 s ALA 104 Ca 0.00 1.59 -0.27 0.00 0.00 0.00 0.00 51.96 53.29 2wg5 s ALA 104 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2wg5 s ALA 104 CO 0.00 -0.95 0.83 0.50 0.00 0.00 0.00 175.76 176.13 2wg5 s ARG 105 N 0.56 4.52 0.14 0.00 3.52 -1.26 0.01 118.95 126.43 2wg5 s ARG 105 Ca 0.71 1.16 0.05 0.00 -0.13 0.00 0.00 55.73 57.52 2wg5 s ARG 105 Cb -0.49 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 2wg5 s ARG 105 CO 0.38 0.13 -0.13 0.14 -0.81 0.00 0.00 175.30 175.01 2wg5 s VAL 106 N 0.46 1.29 -0.10 7.11 -7.23 0.09 -0.91 120.40 121.11 2wg5 s VAL 106 Ca 0.43 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2wg5 s VAL 106 Cb -0.20 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2wg5 s VAL 106 CO 0.24 -0.54 -0.20 0.00 -0.31 0.00 0.00 175.10 174.29 2wg5 s ALA 107 N -2.58 2.33 -0.04 1.32 0.00 -0.13 -1.08 121.76 121.57 2wg5 s ALA 107 Ca 0.12 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.19 2wg5 s ALA 107 Cb -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2wg5 s ALA 107 CO 0.02 0.30 -0.22 -0.51 0.00 0.00 0.00 175.76 175.35 2wg5 s LEU 108 N 0.26 2.29 0.21 0.00 1.43 0.39 -0.25 118.68 123.00 2wg5 s LEU 108 Ca -0.14 -0.38 -0.32 0.00 -1.03 0.00 0.00 54.13 52.25 2wg5 s LEU 108 Cb -0.17 -1.42 -0.14 0.00 0.03 0.00 0.00 46.19 44.50 2wg5 s LEU 108 CO 0.07 0.32 1.48 -3.20 0.23 0.00 0.00 176.35 175.25 2wg5 n ASN 109 N 2.48 2.90 0.17 2.29 2.85 0.03 -1.09 115.26 124.89 2wg5 n ASN 109 Ca -0.17 1.12 0.02 0.00 -0.11 0.00 0.00 54.58 55.44 2wg5 n ASN 109 Cb 0.52 -1.43 0.34 0.00 1.24 0.00 0.00 39.78 40.45 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 4.89 0.04 0.03 1.20 4.15 -1.92 0.17 115.11 123.67 2wg5 h GLN 110 Ca -0.45 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 58.73 2wg5 h GLN 110 Cb 1.27 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 2wg5 h GLN 110 CO 0.81 0.40 -1.23 1.96 -1.93 0.00 0.00 178.83 178.84 2wg5 h GLN 111 N 0.03 0.07 0.00 1.69 1.08 -1.93 -3.40 115.11 112.65 2wg5 h GLN 111 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2wg5 h GLN 111 Cb 0.67 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2wg5 h GLN 111 CO 0.05 1.06 -0.98 0.25 -0.95 0.00 0.00 178.83 178.25 2wg5 n THR 112 N -4.27 0.16 -1.22 -0.54 -2.24 -1.22 -4.95 114.28 100.00 2wg5 n THR 112 Ca -0.29 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 2wg5 n THR 112 Cb 0.73 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.92 0.04 -4.77 3.22 4.77 0.61 -4.80 117.00 114.16 2wg5 n LEU 113 Ca 0.02 0.19 -0.39 0.00 -0.03 0.00 0.00 56.01 55.80 2wg5 n LEU 113 Cb 0.43 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 2wg5 n LEU 113 CO 0.40 -1.01 0.98 0.00 -1.33 0.00 0.00 177.39 176.43 2wg5 s ALA 114 N -1.68 3.22 -0.15 -1.18 0.00 -1.26 -4.56 121.76 116.15 2wg5 s ALA 114 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 2wg5 s ALA 114 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2wg5 s ALA 114 CO 0.00 -0.92 1.54 0.42 0.00 0.00 0.00 175.76 176.79 2wg5 s ILE 115 N -1.26 3.80 -0.24 0.00 1.01 -0.27 -0.79 121.20 123.46 2wg5 s ILE 115 Ca 0.59 0.94 -0.02 0.00 0.00 0.00 0.00 60.65 62.17 2wg5 s ILE 115 Cb -0.39 -3.69 -0.14 0.00 0.01 0.00 0.00 42.46 38.24 2wg5 s ILE 115 CO 0.50 -0.18 -0.23 0.52 0.00 0.00 0.00 174.94 175.55 2wg5 n VAL 116 N 5.82 1.33 -4.22 2.92 0.31 0.65 -0.44 118.33 124.71 2wg5 n VAL 116 Ca 0.17 -0.47 -0.17 0.00 -0.01 0.00 0.00 64.34 63.86 2wg5 n VAL 116 Cb 0.44 -1.44 -0.13 0.00 -0.91 0.00 0.00 33.84 31.80 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 -6.47 1.23 -0.16 4.52 0.02 -1.00 -4.88 114.94 108.20 2wg5 s ASN 117 Ca -0.32 -0.43 -0.15 0.00 -1.02 0.00 0.00 52.86 50.94 2wg5 s ASN 117 Cb 0.09 -0.05 -0.04 0.00 0.02 0.00 0.00 41.25 41.27 2wg5 s ASN 117 CO 0.51 -0.04 0.34 -0.69 0.02 0.00 0.00 177.10 177.24 2wg5 s VAL 118 N -0.91 5.27 0.04 1.60 1.01 -1.26 -0.96 120.40 125.18 2wg5 s VAL 118 Ca -0.02 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2wg5 s VAL 118 Cb -0.08 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2wg5 s VAL 118 CO 0.01 0.35 0.15 -0.76 0.00 0.00 0.00 175.10 174.85 2wg5 s LEU 119 N 0.65 4.13 0.00 3.92 1.43 -0.09 -4.97 118.68 123.76 2wg5 s LEU 119 Ca 0.19 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 2wg5 s LEU 119 Cb -0.14 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.45 2wg5 s LEU 119 CO 0.06 0.21 0.09 -0.81 0.23 0.00 0.00 176.35 176.12