#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 0.09 2.12 3.64 -2.05 -2.68 116.57 117.69 2wg5 h LYS 35 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 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 0.12 -0.04 0.37 -2.27 0.00 0.00 179.45 177.63 2wg5 h GLN 36 N 0.00 -0.12 -0.25 1.90 4.15 -2.05 -1.79 115.11 116.96 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 0.85 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.52 2wg5 h GLN 36 CO 0.02 0.07 -0.09 -0.07 -1.93 0.00 0.00 178.83 176.83 2wg5 h LEU 37 N -0.29 -0.31 -1.66 -2.39 3.38 -1.99 -1.53 115.31 110.53 2wg5 h LEU 37 Ca -0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wg5 h LEU 37 Cb 0.25 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2wg5 h LEU 37 CO 0.02 -0.12 0.26 -0.33 0.09 0.00 0.00 178.44 178.36 2wg5 h GLU 38 N -0.04 0.44 -0.09 1.13 5.08 -1.38 -0.71 114.58 119.01 2wg5 h GLU 38 Ca 0.12 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 2wg5 h GLU 38 Cb 0.23 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wg5 h GLU 38 CO -0.28 0.29 -0.75 -0.44 -1.00 0.00 0.00 179.01 176.83 2wg5 h ASP 39 N 0.45 0.60 -0.51 1.42 5.19 -0.87 -2.70 116.42 120.00 2wg5 h ASP 39 Ca 0.15 -0.40 -0.05 0.00 -0.62 0.00 0.00 57.03 56.11 2wg5 h ASP 39 Cb 0.05 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 2wg5 h ASP 39 CO -0.03 1.16 0.12 0.50 -3.12 0.00 0.00 179.24 177.86 2wg5 h LYS 40 N 0.34 0.82 -0.65 3.56 3.64 -0.20 0.30 116.57 124.39 2wg5 h LYS 40 Ca -0.04 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2wg5 h LYS 40 Cb 1.34 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 2wg5 h LYS 40 CO 0.14 0.79 0.38 0.28 -2.27 0.00 0.00 179.45 178.77 2wg5 h VAL 41 N 0.71 1.02 0.19 2.00 2.07 -1.19 0.22 116.25 121.28 2wg5 h VAL 41 Ca 0.16 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2wg5 h VAL 41 Cb 0.34 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2wg5 h VAL 41 CO 0.00 0.13 -0.17 -0.08 0.02 0.00 0.00 177.57 177.48 2wg5 h GLU 42 N 0.72 -0.37 -0.45 1.57 4.81 -1.12 0.60 114.58 120.34 2wg5 h GLU 42 Ca 0.28 0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.41 2wg5 h GLU 42 Cb 0.10 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2wg5 h GLU 42 CO -0.14 -0.24 -0.21 1.05 -0.73 0.00 0.00 179.01 178.73 2wg5 h GLU 43 N -0.38 0.91 -0.07 1.92 4.11 -0.65 -2.08 114.58 118.33 2wg5 h GLU 43 Ca -0.00 -0.37 -0.00 0.00 0.07 0.00 0.00 59.36 59.05 2wg5 h GLU 43 Cb 0.35 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wg5 h GLU 43 CO -0.03 1.02 0.04 -0.07 0.07 0.00 0.00 179.01 180.05 2wg5 h LEU 44 N 0.79 0.09 -1.20 3.06 3.38 -0.89 0.22 115.31 120.75 2wg5 h LEU 44 Ca 0.11 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.14 2wg5 h LEU 44 Cb 0.76 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 2wg5 h LEU 44 CO 0.06 0.16 0.60 -0.07 0.09 0.00 0.00 178.44 179.27 2wg5 h LEU 45 N 0.02 0.72 -0.02 1.67 3.38 -0.80 0.22 115.31 120.51 2wg5 h LEU 45 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2wg5 h LEU 45 Cb 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2wg5 h LEU 45 CO -0.00 0.35 -0.01 -1.28 0.09 0.00 0.00 178.44 177.58 2wg5 h SER 46 N 0.75 0.04 -0.71 -0.43 0.87 -0.65 -2.07 113.55 111.35 2wg5 h SER 46 Ca 0.48 -0.44 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2wg5 h SER 46 Cb 0.73 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 2wg5 h SER 46 CO -0.24 0.47 0.43 0.11 -0.53 0.00 0.00 176.83 177.07 2wg5 h LYS 47 N -0.39 0.81 -0.56 2.24 1.57 0.00 -2.36 116.57 117.87 2wg5 h LYS 47 Ca 0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2wg5 h LYS 47 Cb 0.45 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2wg5 h LYS 47 CO 0.00 0.53 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.47 2wg5 h ASN 48 N 0.83 1.01 -0.73 0.86 2.35 -0.59 -1.37 115.58 117.95 2wg5 h ASN 48 Ca 0.29 -0.32 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2wg5 h ASN 48 Cb 0.07 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 2wg5 h ASN 48 CO -0.13 1.09 0.46 0.22 -1.65 0.00 0.00 177.43 177.42 2wg5 h TYR 49 N 0.91 0.87 -0.35 1.19 3.20 -1.14 -0.13 116.97 121.52 2wg5 h TYR 49 Ca 0.16 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 2wg5 h TYR 49 Cb 0.59 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2wg5 h TYR 49 CO 0.04 0.50 -0.20 0.45 -1.64 0.00 0.00 178.16 177.31 2wg5 h HIS 50 N 0.91 0.87 -0.35 -3.82 3.86 -1.10 -1.82 115.15 113.69 2wg5 h HIS 50 Ca 0.29 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2wg5 h HIS 50 Cb 0.00 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 2wg5 h HIS 50 CO -0.04 0.96 0.12 -0.07 0.86 0.00 0.00 177.93 179.76 2wg5 h LEU 51 N 0.53 0.11 -1.83 2.43 3.38 -1.15 -1.50 115.31 117.29 2wg5 h LEU 51 Ca 0.07 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2wg5 h LEU 51 Cb 0.75 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2wg5 h LEU 51 CO 0.06 0.10 0.22 -0.33 0.09 0.00 0.00 178.44 178.58 2wg5 h GLU 52 N 0.26 0.21 -0.19 1.13 5.08 -0.76 -0.54 114.58 119.77 2wg5 h GLU 52 Ca 0.16 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 2wg5 h GLU 52 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wg5 h GLU 52 CO -0.17 0.14 -0.52 -0.97 -1.00 0.00 0.00 179.01 176.49 2wg5 h ASN 53 N 0.22 0.79 -0.66 1.42 -1.24 -1.10 -1.62 115.58 113.39 2wg5 h ASN 53 Ca 0.14 -0.58 -0.08 0.00 0.71 0.00 0.00 56.30 56.49 2wg5 h ASN 53 Cb 0.28 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2wg5 h ASN 53 CO -0.03 1.22 0.09 -0.08 -1.29 0.00 0.00 177.43 177.35 2wg5 h GLU 54 N 0.39 1.10 -0.33 6.67 4.57 -0.29 -0.75 114.58 125.93 2wg5 h GLU 54 Ca -0.01 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2wg5 h GLU 54 Cb 1.13 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2wg5 h GLU 54 CO 0.11 1.02 0.21 0.28 -1.18 0.00 0.00 179.01 179.45 2wg5 h VAL 55 N 1.02 1.09 -0.69 0.32 2.07 -1.08 -1.12 116.25 117.87 2wg5 h VAL 55 Ca 0.20 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 2wg5 h VAL 55 Cb 0.46 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2wg5 h VAL 55 CO 0.02 0.09 0.28 0.00 0.02 0.00 0.00 177.57 177.98 2wg5 h ALA 56 N 1.11 0.90 -0.48 1.67 0.00 -1.00 -1.06 119.26 120.41 2wg5 h ALA 56 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2wg5 h ALA 56 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wg5 h ALA 56 CO -0.03 0.52 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 2wg5 h ARG 57 N 0.98 0.80 0.00 0.00 3.08 -0.92 -2.49 114.38 115.83 2wg5 h ARG 57 Ca 0.23 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wg5 h ARG 57 Cb 0.21 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wg5 h ARG 57 CO -0.02 0.81 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.21 2wg5 h LEU 58 N 0.74 0.00 -0.46 3.04 3.38 -0.64 -3.26 115.31 118.12 2wg5 h LEU 58 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wg5 h LEU 58 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wg5 h LEU 58 CO 0.02 0.04 -0.55 0.54 0.09 0.00 0.00 178.44 178.58 2wg5 n ARG 59 N -2.48 0.62 -2.09 1.13 1.74 -0.45 -4.96 116.66 110.16 2wg5 n ARG 59 Ca 0.03 -0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 56.24 2wg5 n ARG 59 Cb 0.48 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.70 6.75 0.58 0.55 1.04 -0.94 -4.95 113.70 114.03 2wg5 s SER 60 Ca 0.16 2.51 -0.19 0.00 0.48 0.00 0.00 55.95 58.91 2wg5 s SER 60 Cb 0.18 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 2wg5 s SER 60 CO 0.65 -0.65 1.22 -2.84 0.98 0.00 0.00 173.24 172.60 2wg5 s PRO 61 N 0.18 3.02 0.77 4.02 0.02 -1.26 -5.01 135.00 136.73 2wg5 s PRO 61 Ca 0.61 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 2wg5 s PRO 61 Cb -0.39 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.22 2wg5 s PRO 61 CO 0.38 -1.18 1.13 -1.25 -0.33 0.00 0.00 177.00 175.74 2wg5 s PRO 62 N -3.27 2.17 0.03 5.54 0.04 -1.26 -5.06 135.00 133.19 2wg5 s PRO 62 Ca 0.77 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.91 2wg5 s PRO 62 Cb -0.31 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2wg5 s PRO 62 CO 0.34 -1.41 0.04 -0.51 0.04 0.00 0.00 177.00 175.50 2wg5 s LEU 63 N -5.46 3.68 -0.07 -3.56 1.43 -1.26 -4.24 118.68 109.19 2wg5 s LEU 63 Ca 0.61 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.58 2wg5 s LEU 63 Cb -0.11 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 2wg5 s LEU 63 CO 0.48 0.24 0.34 -0.22 0.23 0.00 0.00 176.35 177.43 2wg5 s LEU 64 N -1.90 4.38 0.06 1.79 2.96 -0.20 -4.77 118.68 121.00 2wg5 s LEU 64 Ca 0.23 0.75 -0.20 0.00 -0.22 0.00 0.00 54.13 54.70 2wg5 s LEU 64 Cb -0.12 -2.46 -0.07 0.00 0.50 0.00 0.00 46.19 44.05 2wg5 s LEU 64 CO 0.15 0.25 0.58 -0.69 -1.32 0.00 0.00 176.35 175.32 2wg5 s VAL 65 N -0.50 4.75 0.17 1.68 1.01 -1.26 -0.24 120.40 126.02 2wg5 s VAL 65 Ca 0.21 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2wg5 s VAL 65 Cb -0.15 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2wg5 s VAL 65 CO 0.09 0.53 0.22 0.61 0.00 0.00 0.00 175.10 176.55 2wg5 n GLY 66 N 1.83 2.82 3.04 4.51 0.00 -0.36 -0.79 105.19 116.23 2wg5 n GLY 66 Ca -0.10 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.63 0.96 0.17 1.61 1.01 -0.21 -0.62 120.40 120.69 2wg5 s VAL 67 Ca 0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2wg5 s VAL 67 Cb -0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 2wg5 s VAL 67 CO 0.11 0.29 1.54 -0.69 0.00 0.00 0.00 175.10 176.35 2wg5 s VAL 68 N 0.14 2.68 -0.26 2.92 1.01 0.11 -0.56 120.40 126.45 2wg5 s VAL 68 Ca -0.03 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 2wg5 s VAL 68 Cb -0.09 -3.32 -0.14 0.00 0.00 0.00 0.00 36.38 32.83 2wg5 s VAL 68 CO 0.01 0.04 -0.21 -0.24 0.00 0.00 0.00 175.10 174.70 2wg5 n SER 69 N 3.85 1.94 -3.54 3.32 2.88 0.94 -1.24 113.62 121.77 2wg5 n SER 69 Ca 0.13 0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 57.94 2wg5 n SER 69 Cb 0.39 -0.85 -0.03 0.00 -0.75 0.00 0.00 64.21 62.97 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 -7.32 -0.32 -0.11 -3.46 -4.77 -1.08 -4.64 116.67 94.96 2wg5 s ASP 70 Ca -0.36 0.11 -0.01 0.00 -3.30 0.00 0.00 52.55 48.99 2wg5 s ASP 70 Cb 0.13 0.32 -0.02 0.00 -1.09 0.00 0.00 42.92 42.25 2wg5 s ASP 70 CO 0.52 -0.47 -0.08 -0.63 0.70 0.00 0.00 175.17 175.21 2wg5 s ILE 71 N -2.41 3.51 0.20 2.11 -1.09 -1.26 -0.13 121.20 122.12 2wg5 s ILE 71 Ca 0.04 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2wg5 s ILE 71 Cb -0.01 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 2wg5 s ILE 71 CO -0.05 0.54 0.38 -0.76 -1.23 0.00 0.00 174.94 173.82 2wg5 s LEU 72 N -0.05 4.23 0.62 2.97 1.43 0.15 -4.96 118.68 123.07 2wg5 s LEU 72 Ca -0.01 0.39 0.28 0.00 -1.03 0.00 0.00 54.13 53.76 2wg5 s LEU 72 Cb -0.14 -3.16 1.42 0.00 0.03 0.00 0.00 46.19 44.35 2wg5 s LEU 72 CO 0.03 -0.03 1.82 1.05 0.23 0.00 0.00 176.35 179.45 2wg5 h GLU 73 N 2.04 0.00 -0.56 1.70 -0.00 -2.00 0.24 114.58 116.00 2wg5 h GLU 73 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2wg5 h GLU 73 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 2wg5 h GLU 73 CO 0.68 0.00 0.00 -0.40 -0.00 0.00 0.00 179.01 179.29 2wg5 n ASP 74 N -3.37 3.43 0.00 3.06 5.75 -1.26 -4.94 116.55 119.21 2wg5 n ASP 74 Ca 0.06 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2wg5 n ASP 74 Cb 0.65 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 1.52 0.77 3.88 6.12 0.00 0.84 -5.05 105.19 113.27 2wg5 n GLY 75 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.38 3.73 0.01 1.61 0.52 -1.26 -4.72 118.95 118.46 2wg5 s ARG 76 Ca 0.00 0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.66 2wg5 s ARG 76 Cb 0.00 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 2wg5 s ARG 76 CO 0.00 -0.01 -0.24 0.08 0.02 0.00 0.00 175.30 175.15 2wg5 s VAL 77 N -2.36 1.90 -0.25 3.52 1.01 -1.02 0.33 120.40 123.53 2wg5 s VAL 77 Ca 0.50 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2wg5 s VAL 77 Cb -0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2wg5 s VAL 77 CO 0.32 0.44 0.35 -0.69 0.00 0.00 0.00 175.10 175.53 2wg5 s VAL 78 N -0.65 5.20 -0.01 2.92 1.01 0.81 -1.31 120.40 128.38 2wg5 s VAL 78 Ca 0.09 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.69 2wg5 s VAL 78 Cb -0.09 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2wg5 s VAL 78 CO 0.00 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.44 2wg5 s VAL 79 N 1.76 2.79 -0.40 2.92 1.01 0.41 -0.04 120.40 128.85 2wg5 s VAL 79 Ca 0.15 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 2wg5 s VAL 79 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2wg5 s VAL 79 CO 0.09 0.49 0.37 -0.75 0.00 0.00 0.00 175.10 175.30 2wg5 s LYS 80 N -1.00 3.14 0.56 2.72 2.20 0.27 -0.91 119.74 126.72 2wg5 s LYS 80 Ca 0.13 -0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 54.77 2wg5 s LYS 80 Cb -0.10 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 2wg5 s LYS 80 CO 0.02 -0.75 1.04 -1.54 -0.36 0.00 0.00 175.35 173.76 2wg5 s SER 81 N 1.75 6.06 0.57 1.43 1.04 -0.46 -1.04 113.70 123.05 2wg5 s SER 81 Ca 0.09 1.79 0.36 0.00 0.48 0.00 0.00 55.95 58.67 2wg5 s SER 81 Cb -0.18 -2.53 1.61 0.00 0.10 0.00 0.00 66.02 65.02 2wg5 s SER 81 CO 0.12 -0.98 2.07 0.77 0.98 0.00 0.00 173.24 176.20 2wg5 h SER 82 N 0.74 0.00 0.50 7.02 4.64 -1.28 -1.47 113.55 123.70 2wg5 h SER 82 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 2wg5 n THR 83 N -3.08 1.04 0.00 2.95 -2.24 -1.26 -4.96 114.28 106.73 2wg5 n THR 83 Ca -0.00 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2wg5 n THR 83 Cb 0.25 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.20 2.78 3.70 3.38 0.00 -0.55 -5.11 105.19 109.18 2wg5 n GLY 84 Ca 0.02 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 0.73 -0.05 1.61 0.02 -1.26 -4.57 135.00 131.49 2wg5 s PRO 85 Ca 0.00 0.60 -0.01 0.00 0.02 0.00 0.00 61.00 61.61 2wg5 s PRO 85 Cb 0.00 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.72 2wg5 s PRO 85 CO 0.00 -2.54 0.02 0.15 -0.33 0.00 0.00 177.00 174.30 2wg5 s LYS 86 N -4.97 2.97 0.10 5.54 1.02 -1.26 -1.36 119.74 121.77 2wg5 s LYS 86 Ca 0.65 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.21 2wg5 s LYS 86 Cb -0.18 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 2wg5 s LYS 86 CO 0.57 0.68 -0.09 -0.06 -0.92 0.00 0.00 175.35 175.52 2wg5 s PHE 87 N -1.00 1.02 -0.24 3.18 0.08 -0.09 -4.97 117.98 115.97 2wg5 s PHE 87 Ca 0.17 -0.68 -0.14 0.00 0.12 0.00 0.00 56.93 56.40 2wg5 s PHE 87 Cb -0.12 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2wg5 s PHE 87 CO 0.06 -0.02 0.32 0.08 -0.10 0.00 0.00 175.22 175.57 2wg5 s VAL 88 N -2.55 5.23 0.13 -0.44 1.01 -1.26 -0.44 120.40 122.08 2wg5 s VAL 88 Ca 0.06 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2wg5 s VAL 88 Cb -0.02 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2wg5 s VAL 88 CO -0.01 0.24 -0.08 0.68 0.00 0.00 0.00 175.10 175.93 2wg5 s VAL 89 N 1.52 0.95 0.75 2.92 -7.23 -0.43 -4.96 120.40 113.91 2wg5 s VAL 89 Ca 0.14 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 2wg5 s VAL 89 Cb -0.15 -1.78 0.07 0.00 0.56 0.00 0.00 36.38 35.08 2wg5 s VAL 89 CO 0.08 -0.80 1.09 0.20 -0.31 0.00 0.00 175.10 175.36 2wg5 s ASN 90 N -3.11 4.69 -0.02 4.85 0.01 -1.26 -2.42 114.94 117.68 2wg5 s ASN 90 Ca 0.15 0.61 0.06 0.00 -0.71 0.00 0.00 52.86 52.97 2wg5 s ASN 90 Cb 0.04 -1.19 -0.01 0.00 0.41 0.00 0.00 41.25 40.49 2wg5 s ASN 90 CO -0.02 -1.73 -0.19 0.42 -1.51 0.00 0.00 177.10 174.07 2wg5 s THR 91 N -3.39 1.53 0.33 1.60 -4.23 -1.26 -1.14 115.64 109.07 2wg5 s THR 91 Ca 0.61 -0.83 -0.26 0.00 -1.18 0.00 0.00 61.69 60.03 2wg5 s THR 91 Cb -0.11 -1.28 -0.14 0.00 1.34 0.00 0.00 72.50 72.32 2wg5 s THR 91 CO 0.47 0.43 0.83 -0.24 -0.54 0.00 0.00 174.62 175.58 2wg5 n SER 92 N 2.61 0.44 0.30 3.99 2.88 0.37 -4.86 113.62 119.35 2wg5 n SER 92 Ca -0.15 1.09 0.18 0.00 -1.33 0.00 0.00 58.87 58.65 2wg5 n SER 92 Cb 0.53 -1.21 0.90 0.00 -0.75 0.00 0.00 64.21 63.68 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 1.50 0.00 -0.11 -1.46 3.07 -1.98 -2.77 115.11 113.36 2wg5 h GLN 93 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.35 2wg5 h GLN 93 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.93 2wg5 h GLN 93 CO 0.57 0.04 0.00 0.66 0.09 0.00 0.00 178.83 180.19 2wg5 n TYR 94 N -3.32 0.14 -3.27 0.06 4.01 -1.26 -4.87 117.16 108.65 2wg5 n TYR 94 Ca -0.02 -0.07 -0.38 0.00 -0.16 0.00 0.00 57.90 57.27 2wg5 n TYR 94 Cb 0.19 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.86 5.16 -0.50 -0.72 -1.09 -1.05 -4.99 121.20 116.15 2wg5 s ILE 95 Ca 0.22 1.02 -0.27 0.00 -2.23 0.00 0.00 60.65 59.39 2wg5 s ILE 95 Cb 0.11 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2wg5 s ILE 95 CO 0.17 0.30 1.86 0.21 -1.23 0.00 0.00 174.94 176.24 2wg5 s ASN 96 N 0.71 5.47 0.48 3.58 2.47 -1.26 -4.87 114.94 121.52 2wg5 s ASN 96 Ca 0.27 0.73 0.32 0.00 0.42 0.00 0.00 52.86 54.61 2wg5 s ASN 96 Cb -0.15 -2.53 1.69 0.00 -1.45 0.00 0.00 41.25 38.81 2wg5 s ASN 96 CO 0.11 -2.14 1.99 -0.33 -3.72 0.00 0.00 177.10 173.00 2wg5 h GLU 97 N 14.36 0.00 -0.89 0.43 3.07 -1.95 0.19 114.58 129.79 2wg5 h GLU 97 Ca -0.29 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.66 2wg5 h GLU 97 Cb 1.17 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.02 2wg5 h GLU 97 CO 1.15 0.00 0.58 0.93 -1.40 0.00 0.00 179.01 180.26 2wg5 h GLU 98 N 0.00 0.91 0.00 2.33 5.08 -2.05 -2.64 114.58 118.21 2wg5 h GLU 98 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2wg5 h GLU 98 Cb 0.07 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2wg5 h GLU 98 CO 0.00 0.60 -0.11 0.93 -1.00 0.00 0.00 179.01 179.44 2wg5 h GLU 99 N 0.94 0.00 -6.38 2.33 5.08 -1.01 -3.41 114.58 112.12 2wg5 h GLU 99 Ca 0.40 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.20 2wg5 h GLU 99 Cb 0.32 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 2wg5 h GLU 99 CO -0.16 0.11 0.95 -0.51 -1.00 0.00 0.00 179.01 178.39 2wg5 s LEU 100 N -6.48 3.45 0.09 1.33 1.43 -1.00 -4.88 118.68 112.62 2wg5 s LEU 100 Ca 0.01 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 2wg5 s LEU 100 Cb 0.09 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.43 2wg5 s LEU 100 CO 0.59 -1.59 0.23 -1.59 0.23 0.00 0.00 176.35 174.22 2wg5 s LYS 101 N 5.10 0.86 0.22 1.70 -2.85 -1.26 -5.01 119.74 118.50 2wg5 s LYS 101 Ca 0.38 -0.87 -0.29 0.00 -1.00 0.00 0.00 55.97 54.18 2wg5 s LYS 101 Cb -0.09 0.36 -0.16 0.00 -2.06 0.00 0.00 37.83 35.88 2wg5 s LYS 101 CO 0.20 -0.28 0.83 -2.30 0.10 0.00 0.00 175.35 173.90 2wg5 n PRO 102 N 0.01 0.67 0.00 1.78 -0.02 -1.26 -1.29 135.00 134.88 2wg5 n PRO 102 Ca -0.16 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wg5 n PRO 102 Cb 0.62 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 1.68 3.20 3.75 -1.23 0.00 -0.37 -4.96 105.19 107.26 2wg5 n GLY 103 Ca 0.15 0.00 -0.41 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 -1.86 3.68 -0.03 4.61 0.00 -0.41 -4.68 121.76 123.06 2wg5 s ALA 104 Ca 0.00 1.42 -0.25 0.00 0.00 0.00 0.00 51.96 53.13 2wg5 s ALA 104 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2wg5 s ALA 104 CO 0.00 -0.83 0.77 0.50 0.00 0.00 0.00 175.76 176.20 2wg5 s ARG 105 N -0.33 4.48 0.17 0.00 3.52 -1.26 0.09 118.95 125.62 2wg5 s ARG 105 Ca 0.61 1.03 0.07 0.00 -0.13 0.00 0.00 55.73 57.32 2wg5 s ARG 105 Cb -0.44 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 2wg5 s ARG 105 CO 0.44 0.08 -0.14 0.14 -0.81 0.00 0.00 175.30 175.01 2wg5 s VAL 106 N 0.69 1.58 -0.12 7.11 -7.23 0.21 -0.79 120.40 121.86 2wg5 s VAL 106 Ca 0.41 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2wg5 s VAL 106 Cb -0.19 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 2wg5 s VAL 106 CO 0.21 -0.54 -0.20 0.00 -0.31 0.00 0.00 175.10 174.26 2wg5 s ALA 107 N -2.72 2.33 -0.03 1.32 0.00 -0.17 -1.23 121.76 121.26 2wg5 s ALA 107 Ca 0.18 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2wg5 s ALA 107 Cb -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2wg5 s ALA 107 CO 0.05 0.22 -0.20 -0.51 0.00 0.00 0.00 175.76 175.32 2wg5 s LEU 108 N 0.43 2.39 0.21 0.00 1.43 0.67 0.27 118.68 124.08 2wg5 s LEU 108 Ca -0.14 -0.34 -0.32 0.00 -1.03 0.00 0.00 54.13 52.29 2wg5 s LEU 108 Cb -0.17 -1.45 -0.13 0.00 0.03 0.00 0.00 46.19 44.47 2wg5 s LEU 108 CO 0.06 0.33 1.54 -3.20 0.23 0.00 0.00 176.35 175.31 2wg5 n ASN 109 N 2.33 3.17 0.20 2.29 2.85 -0.17 -1.04 115.26 124.90 2wg5 n ASN 109 Ca -0.17 1.11 0.03 0.00 -0.11 0.00 0.00 54.58 55.45 2wg5 n ASN 109 Cb 0.52 -1.46 0.40 0.00 1.24 0.00 0.00 39.78 40.47 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 5.29 0.00 0.06 1.20 4.15 -1.92 0.30 115.11 124.18 2wg5 h GLN 110 Ca -0.45 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 58.68 2wg5 h GLN 110 Cb 1.25 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 2wg5 h GLN 110 CO 0.84 0.32 -1.61 1.04 -1.93 0.00 0.00 178.83 177.50 2wg5 n GLN 111 N -4.14 0.66 0.00 1.69 1.13 -1.26 -4.48 117.38 110.97 2wg5 n GLN 111 Ca -0.02 0.43 0.11 0.00 -1.94 0.00 0.00 57.00 55.58 2wg5 n GLN 111 Cb 0.37 -1.73 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 2wg5 n GLN 111 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2wg5 n THR 112 N -4.00 0.02 -1.23 5.09 -2.24 -1.21 -4.96 114.28 105.76 2wg5 n THR 112 Ca -0.32 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 2wg5 n THR 112 Cb 0.85 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.61 -0.32 -4.77 3.22 4.77 0.10 -4.79 117.00 113.61 2wg5 n LEU 113 Ca 0.04 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.86 2wg5 n LEU 113 Cb 0.36 -2.41 -0.01 0.00 -2.33 0.00 0.00 43.42 39.03 2wg5 n LEU 113 CO 0.41 -0.91 0.98 0.00 -1.33 0.00 0.00 177.39 176.54 2wg5 s ALA 114 N -1.78 3.33 -0.13 -1.18 0.00 -1.26 -4.57 121.76 116.18 2wg5 s ALA 114 Ca 0.00 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2wg5 s ALA 114 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2wg5 s ALA 114 CO 0.00 -0.82 1.60 0.42 0.00 0.00 0.00 175.76 176.96 2wg5 s ILE 115 N -1.23 3.71 -0.25 0.00 1.01 -0.30 -1.00 121.20 123.15 2wg5 s ILE 115 Ca 0.55 0.84 -0.03 0.00 0.00 0.00 0.00 60.65 62.01 2wg5 s ILE 115 Cb -0.39 -3.61 -0.14 0.00 0.01 0.00 0.00 42.46 38.33 2wg5 s ILE 115 CO 0.51 -0.15 -0.25 0.52 0.00 0.00 0.00 174.94 175.57 2wg5 n VAL 116 N 5.82 1.39 -4.22 2.92 0.31 0.14 -0.47 118.33 124.22 2wg5 n VAL 116 Ca 0.17 -0.47 -0.18 0.00 -0.01 0.00 0.00 64.34 63.85 2wg5 n VAL 116 Cb 0.44 -1.51 -0.13 0.00 -0.91 0.00 0.00 33.84 31.74 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 -6.64 1.40 -0.19 4.52 0.02 -0.98 -4.87 114.94 108.20 2wg5 s ASN 117 Ca -0.33 -0.49 -0.16 0.00 -1.02 0.00 0.00 52.86 50.85 2wg5 s ASN 117 Cb 0.10 -0.06 -0.04 0.00 0.02 0.00 0.00 41.25 41.27 2wg5 s ASN 117 CO 0.52 -0.05 0.39 -0.69 0.02 0.00 0.00 177.10 177.29 2wg5 s VAL 118 N -1.03 5.22 0.03 1.60 1.01 -1.26 -0.99 120.40 124.98 2wg5 s VAL 118 Ca -0.02 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 2wg5 s VAL 118 Cb -0.08 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2wg5 s VAL 118 CO 0.01 0.28 0.22 -0.76 0.00 0.00 0.00 175.10 174.86 2wg5 s LEU 119 N 1.12 4.36 0.00 3.92 1.43 0.03 -4.97 118.68 124.56 2wg5 s LEU 119 Ca 0.19 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2wg5 s LEU 119 Cb -0.14 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2wg5 s LEU 119 CO 0.07 0.21 0.06 -0.81 0.23 0.00 0.00 176.35 176.11