#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 0.03 2.12 3.64 -2.05 -2.65 116.57 117.66 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 0.03 -0.01 0.37 -2.27 0.00 0.00 179.45 177.57 2wg5 h GLN 36 N 0.00 -0.04 -0.28 1.90 4.15 -2.05 -1.96 115.11 116.83 2wg5 h GLN 36 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.48 2wg5 h GLN 36 Cb 0.81 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.46 2wg5 h GLN 36 CO 0.00 0.19 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.99 2wg5 h LEU 37 N -0.26 -0.19 -1.60 -2.39 3.38 -1.99 -1.68 115.31 110.58 2wg5 h LEU 37 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wg5 h LEU 37 Cb 0.24 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wg5 h LEU 37 CO 0.01 -0.06 0.26 -0.33 0.09 0.00 0.00 178.44 178.41 2wg5 h GLU 38 N 0.04 0.53 -0.11 1.13 5.08 -1.40 -0.76 114.58 119.09 2wg5 h GLU 38 Ca 0.14 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 2wg5 h GLU 38 Cb 0.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wg5 h GLU 38 CO -0.26 0.35 -0.75 -0.44 -1.00 0.00 0.00 179.01 176.91 2wg5 h ASP 39 N 0.55 0.68 -0.49 1.42 5.19 -1.01 -2.64 116.42 120.12 2wg5 h ASP 39 Ca 0.15 -0.45 -0.03 0.00 -0.62 0.00 0.00 57.03 56.08 2wg5 h ASP 39 Cb -0.06 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.23 2wg5 h ASP 39 CO -0.03 1.21 0.18 0.50 -3.12 0.00 0.00 179.24 177.98 2wg5 h LYS 40 N 0.39 0.75 -0.63 3.56 3.64 -0.34 0.55 116.57 124.49 2wg5 h LYS 40 Ca -0.04 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2wg5 h LYS 40 Cb 1.35 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 2wg5 h LYS 40 CO 0.14 0.68 0.32 0.28 -2.27 0.00 0.00 179.45 178.60 2wg5 h VAL 41 N 0.66 0.93 0.06 2.00 2.07 -1.18 0.45 116.25 121.24 2wg5 h VAL 41 Ca 0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2wg5 h VAL 41 Cb 0.22 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2wg5 h VAL 41 CO -0.01 0.11 -0.06 -0.08 0.02 0.00 0.00 177.57 177.55 2wg5 h GLU 42 N 0.60 -0.13 -0.33 1.57 4.81 -1.05 0.46 114.58 120.50 2wg5 h GLU 42 Ca 0.29 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 2wg5 h GLU 42 Cb 0.22 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2wg5 h GLU 42 CO -0.20 -0.09 -0.39 1.05 -0.73 0.00 0.00 179.01 178.65 2wg5 h GLU 43 N -0.14 0.79 -0.09 1.92 4.11 -0.53 -2.19 114.58 118.45 2wg5 h GLU 43 Ca 0.00 -0.41 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 2wg5 h GLU 43 Cb 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wg5 h GLU 43 CO -0.02 1.05 0.04 -0.07 0.07 0.00 0.00 179.01 180.08 2wg5 h LEU 44 N 0.65 0.12 -1.27 3.06 3.38 -0.84 0.14 115.31 120.56 2wg5 h LEU 44 Ca 0.05 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.04 2wg5 h LEU 44 Cb 0.95 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 2wg5 h LEU 44 CO 0.09 0.22 0.59 -0.07 0.09 0.00 0.00 178.44 179.36 2wg5 h LEU 45 N 0.01 0.65 -0.02 1.67 3.38 -0.86 0.13 115.31 120.27 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 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2wg5 h LEU 45 CO -0.00 0.31 -0.01 -1.28 0.09 0.00 0.00 178.44 177.54 2wg5 h SER 46 N 0.68 0.05 -0.58 -0.43 0.87 -0.68 -2.16 113.55 111.30 2wg5 h SER 46 Ca 0.47 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2wg5 h SER 46 Cb 0.79 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 2wg5 h SER 46 CO -0.22 0.48 0.31 0.11 -0.53 0.00 0.00 176.83 176.97 2wg5 h LYS 47 N -0.39 0.57 -0.58 2.24 1.57 -0.24 -2.24 116.57 117.49 2wg5 h LYS 47 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2wg5 h LYS 47 Cb 0.47 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2wg5 h LYS 47 CO 0.00 0.38 0.01 -0.91 -0.57 0.00 0.00 179.45 178.36 2wg5 h ASN 48 N 0.59 1.00 -0.69 0.86 2.35 -0.77 -0.92 115.58 117.99 2wg5 h ASN 48 Ca 0.26 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2wg5 h ASN 48 Cb 0.15 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 2wg5 h ASN 48 CO -0.17 1.06 0.42 0.22 -1.65 0.00 0.00 177.43 177.31 2wg5 h TYR 49 N 0.91 0.79 -0.43 1.19 3.20 -1.08 0.77 116.97 122.33 2wg5 h TYR 49 Ca 0.17 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2wg5 h TYR 49 Cb 0.54 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2wg5 h TYR 49 CO 0.04 0.44 -0.19 0.45 -1.64 0.00 0.00 178.16 177.25 2wg5 h HIS 50 N 0.82 1.02 -0.30 -3.82 3.86 -0.99 -1.74 115.15 114.00 2wg5 h HIS 50 Ca 0.29 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2wg5 h HIS 50 Cb 0.06 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 2wg5 h HIS 50 CO -0.05 1.03 0.20 -0.07 0.86 0.00 0.00 177.93 179.90 2wg5 h LEU 51 N 0.71 0.35 -1.90 2.43 3.38 -1.03 -1.60 115.31 117.65 2wg5 h LEU 51 Ca 0.10 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2wg5 h LEU 51 Cb 0.76 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2wg5 h LEU 51 CO 0.06 0.25 0.25 -0.33 0.09 0.00 0.00 178.44 178.77 2wg5 h GLU 52 N 0.41 0.11 -0.08 1.13 5.08 -0.51 -0.94 114.58 119.77 2wg5 h GLU 52 Ca 0.11 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 2wg5 h GLU 52 Cb -0.05 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.19 2wg5 h GLU 52 CO -0.02 0.08 -0.72 -0.97 -1.00 0.00 0.00 179.01 176.37 2wg5 h ASN 53 N 0.12 0.78 -0.67 1.42 -1.24 -1.11 -1.75 115.58 113.13 2wg5 h ASN 53 Ca 0.17 -0.67 -0.06 0.00 0.71 0.00 0.00 56.30 56.44 2wg5 h ASN 53 Cb 0.52 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 2wg5 h ASN 53 CO -0.02 1.34 0.17 -0.08 -1.29 0.00 0.00 177.43 177.55 2wg5 h GLU 54 N 0.29 1.07 -0.47 6.67 4.57 -0.44 -0.58 114.58 125.69 2wg5 h GLU 54 Ca -0.07 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2wg5 h GLU 54 Cb 1.38 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2wg5 h GLU 54 CO 0.15 0.95 0.28 0.28 -1.18 0.00 0.00 179.01 179.49 2wg5 h VAL 55 N 1.00 1.15 -0.70 0.32 2.07 -1.12 -1.18 116.25 117.80 2wg5 h VAL 55 Ca 0.21 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2wg5 h VAL 55 Cb 0.36 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2wg5 h VAL 55 CO 0.00 0.16 0.21 0.00 0.02 0.00 0.00 177.57 177.96 2wg5 h ALA 56 N 1.13 0.91 -0.37 1.67 0.00 -0.99 -0.69 119.26 120.91 2wg5 h ALA 56 Ca 0.17 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2wg5 h ALA 56 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2wg5 h ALA 56 CO -0.03 0.60 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 2wg5 h ARG 57 N 1.03 0.67 0.00 0.00 3.08 -0.86 -2.57 114.38 115.72 2wg5 h ARG 57 Ca 0.22 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wg5 h ARG 57 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wg5 h ARG 57 CO -0.01 0.78 -0.50 -0.07 -1.07 0.00 0.00 179.97 179.11 2wg5 h LEU 58 N 0.61 0.00 -0.23 3.04 3.38 -0.68 -3.25 115.31 118.18 2wg5 h LEU 58 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wg5 h LEU 58 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wg5 h LEU 58 CO 0.04 0.06 -0.64 0.54 0.09 0.00 0.00 178.44 178.53 2wg5 n ARG 59 N -2.30 0.32 -2.09 1.13 1.74 -0.32 -4.96 116.66 110.18 2wg5 n ARG 59 Ca 0.03 -0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 2wg5 n ARG 59 Cb 0.46 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 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 6.75 0.55 0.55 1.04 -0.98 -4.95 113.70 113.82 2wg5 s SER 60 Ca 0.13 2.52 -0.20 0.00 0.48 0.00 0.00 55.95 58.88 2wg5 s SER 60 Cb 0.17 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 2wg5 s SER 60 CO 0.72 -0.65 1.22 -2.84 0.98 0.00 0.00 173.24 172.66 2wg5 s PRO 61 N 0.12 3.19 0.74 4.02 0.02 -1.26 -5.01 135.00 136.82 2wg5 s PRO 61 Ca 0.61 1.88 -0.10 0.00 0.02 0.00 0.00 61.00 63.40 2wg5 s PRO 61 Cb -0.40 -2.09 0.05 0.00 0.02 0.00 0.00 34.50 32.09 2wg5 s PRO 61 CO 0.38 -1.05 1.10 -1.25 -0.33 0.00 0.00 177.00 175.85 2wg5 s PRO 62 N -3.12 2.30 -0.02 5.54 0.04 -1.26 -5.06 135.00 133.43 2wg5 s PRO 62 Ca 0.73 0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.86 2wg5 s PRO 62 Cb -0.31 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2wg5 s PRO 62 CO 0.36 -1.31 0.04 -0.51 0.04 0.00 0.00 177.00 175.62 2wg5 s LEU 63 N -5.40 3.73 -0.02 -3.56 1.43 -1.26 -4.20 118.68 109.40 2wg5 s LEU 63 Ca 0.60 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.63 2wg5 s LEU 63 Cb -0.11 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2wg5 s LEU 63 CO 0.48 0.29 0.46 -0.22 0.23 0.00 0.00 176.35 177.59 2wg5 s LEU 64 N -1.55 4.42 0.04 1.79 2.96 -0.26 -4.77 118.68 121.31 2wg5 s LEU 64 Ca 0.20 0.97 -0.20 0.00 -0.22 0.00 0.00 54.13 54.89 2wg5 s LEU 64 Cb -0.12 -2.68 -0.06 0.00 0.50 0.00 0.00 46.19 43.83 2wg5 s LEU 64 CO 0.11 0.21 0.58 -0.69 -1.32 0.00 0.00 176.35 175.24 2wg5 s VAL 65 N -0.55 4.80 0.15 1.68 1.01 -1.26 -0.40 120.40 125.83 2wg5 s VAL 65 Ca 0.25 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.48 2wg5 s VAL 65 Cb -0.17 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2wg5 s VAL 65 CO 0.13 0.51 0.16 0.61 0.00 0.00 0.00 175.10 176.51 2wg5 n GLY 66 N 1.98 3.20 3.05 4.51 0.00 -0.28 -0.53 105.19 117.13 2wg5 n GLY 66 Ca -0.09 -1.66 -0.23 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 -2.60 1.07 0.18 1.61 1.01 -0.27 -0.53 120.40 120.87 2wg5 s VAL 67 Ca 0.16 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 2wg5 s VAL 67 Cb 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 2wg5 s VAL 67 CO 0.11 0.32 1.57 -0.69 0.00 0.00 0.00 175.10 176.42 2wg5 s VAL 68 N 0.22 2.54 -0.27 2.92 1.01 0.11 -0.52 120.40 126.41 2wg5 s VAL 68 Ca -0.05 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 2wg5 s VAL 68 Cb -0.11 -3.25 -0.13 0.00 0.00 0.00 0.00 36.38 32.89 2wg5 s VAL 68 CO 0.02 0.04 -0.27 -0.24 0.00 0.00 0.00 175.10 174.64 2wg5 n SER 69 N 3.74 1.95 -3.53 3.32 2.88 0.15 -1.17 113.62 120.95 2wg5 n SER 69 Ca 0.13 0.34 -0.08 0.00 -1.33 0.00 0.00 58.87 57.93 2wg5 n SER 69 Cb 0.38 -0.83 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 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 -7.39 -0.34 -0.11 -3.46 -4.77 -1.04 -4.65 116.67 94.91 2wg5 s ASP 70 Ca -0.37 0.09 -0.01 0.00 -3.30 0.00 0.00 52.55 48.96 2wg5 s ASP 70 Cb 0.14 0.34 -0.03 0.00 -1.09 0.00 0.00 42.92 42.28 2wg5 s ASP 70 CO 0.51 -0.51 -0.07 -0.63 0.70 0.00 0.00 175.17 175.17 2wg5 s ILE 71 N -2.59 3.67 0.16 2.11 -1.09 -1.26 -0.06 121.20 122.13 2wg5 s ILE 71 Ca 0.04 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 2wg5 s ILE 71 Cb -0.01 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 2wg5 s ILE 71 CO -0.06 0.55 0.31 -0.76 -1.23 0.00 0.00 174.94 173.76 2wg5 s LEU 72 N -0.24 4.30 0.63 2.97 1.43 0.13 -4.96 118.68 122.94 2wg5 s LEU 72 Ca 0.03 0.28 0.28 0.00 -1.03 0.00 0.00 54.13 53.69 2wg5 s LEU 72 Cb -0.13 -3.02 1.49 0.00 0.03 0.00 0.00 46.19 44.56 2wg5 s LEU 72 CO 0.03 0.03 1.87 1.05 0.23 0.00 0.00 176.35 179.56 2wg5 h GLU 73 N 2.24 0.00 -0.49 1.70 -0.00 -2.00 0.34 114.58 116.37 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 0.69 0.00 0.00 -0.40 -0.00 0.00 0.00 179.01 179.30 2wg5 n ASP 74 N -3.25 3.30 0.00 3.06 5.75 -1.26 -4.95 116.55 119.20 2wg5 n ASP 74 Ca 0.03 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 2wg5 n ASP 74 Cb 0.54 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 1.49 0.76 3.88 6.12 0.00 0.12 -5.05 105.19 112.51 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 -0.42 3.76 0.00 1.61 0.52 -1.26 -4.72 118.95 118.44 2wg5 s ARG 76 Ca 0.00 0.40 0.08 0.00 -0.52 0.00 0.00 55.73 55.69 2wg5 s ARG 76 Cb 0.00 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 2wg5 s ARG 76 CO 0.00 0.01 -0.24 0.08 0.02 0.00 0.00 175.30 175.17 2wg5 s VAL 77 N -2.31 1.90 -0.25 3.52 1.01 -1.01 0.19 120.40 123.45 2wg5 s VAL 77 Ca 0.50 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 2wg5 s VAL 77 Cb -0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2wg5 s VAL 77 CO 0.31 0.46 0.32 -0.69 0.00 0.00 0.00 175.10 175.50 2wg5 s VAL 78 N -0.63 5.23 -0.02 2.92 1.01 0.92 -1.32 120.40 128.50 2wg5 s VAL 78 Ca 0.09 0.48 0.06 0.00 0.00 0.00 0.00 61.98 62.61 2wg5 s VAL 78 Cb -0.09 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2wg5 s VAL 78 CO -0.00 0.23 -0.18 -0.69 0.00 0.00 0.00 175.10 174.45 2wg5 s VAL 79 N 1.66 2.72 -0.42 2.92 1.01 0.20 0.30 120.40 128.80 2wg5 s VAL 79 Ca 0.14 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 2wg5 s VAL 79 Cb -0.15 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2wg5 s VAL 79 CO 0.09 0.54 0.47 -0.75 0.00 0.00 0.00 175.10 175.44 2wg5 s LYS 80 N -0.83 3.14 0.55 2.72 2.20 0.32 -1.05 119.74 126.80 2wg5 s LYS 80 Ca 0.12 -0.68 -0.18 0.00 -0.36 0.00 0.00 55.97 54.86 2wg5 s LYS 80 Cb -0.10 -3.96 -0.06 0.00 -1.51 0.00 0.00 37.83 32.20 2wg5 s LYS 80 CO 0.01 -0.86 1.06 -1.54 -0.36 0.00 0.00 175.35 173.66 2wg5 s SER 81 N 1.84 5.95 0.38 1.43 1.04 -0.26 -1.11 113.70 122.97 2wg5 s SER 81 Ca 0.14 1.91 0.28 0.00 0.48 0.00 0.00 55.95 58.76 2wg5 s SER 81 Cb -0.17 -2.55 1.25 0.00 0.10 0.00 0.00 66.02 64.66 2wg5 s SER 81 CO 0.14 -1.05 1.84 0.77 0.98 0.00 0.00 173.24 175.92 2wg5 h SER 82 N 0.94 0.00 0.65 7.02 4.64 -1.13 -1.37 113.55 124.31 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 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 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 -2.54 0.82 0.00 2.95 -2.24 -1.26 -4.97 114.28 107.05 2wg5 n THR 83 Ca 0.01 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2wg5 n THR 83 Cb 0.20 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 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 0.24 2.96 3.69 3.38 0.00 -0.52 -5.11 105.19 109.84 2wg5 n GLY 84 Ca 0.04 -0.82 -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 0.70 -0.06 1.61 0.02 -1.26 -4.59 135.00 131.42 2wg5 s PRO 85 Ca 0.00 0.63 -0.01 0.00 0.02 0.00 0.00 61.00 61.64 2wg5 s PRO 85 Cb 0.00 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 2wg5 s PRO 85 CO 0.00 -2.57 0.01 0.15 -0.33 0.00 0.00 177.00 174.25 2wg5 s LYS 86 N -4.95 2.93 0.09 5.54 1.02 -1.26 -1.10 119.74 122.01 2wg5 s LYS 86 Ca 0.65 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 56.21 2wg5 s LYS 86 Cb -0.18 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2wg5 s LYS 86 CO 0.57 0.68 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.51 2wg5 s PHE 87 N -0.95 1.11 -0.23 3.18 0.08 -0.21 -4.98 117.98 115.98 2wg5 s PHE 87 Ca 0.15 -0.59 -0.16 0.00 0.12 0.00 0.00 56.93 56.45 2wg5 s PHE 87 Cb -0.11 -0.61 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2wg5 s PHE 87 CO 0.05 0.03 0.42 0.08 -0.10 0.00 0.00 175.22 175.69 2wg5 s VAL 88 N -2.09 5.17 0.14 -0.44 1.01 -1.26 -0.63 120.40 122.30 2wg5 s VAL 88 Ca 0.03 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.76 2wg5 s VAL 88 Cb -0.05 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2wg5 s VAL 88 CO 0.01 0.19 -0.10 0.68 0.00 0.00 0.00 175.10 175.89 2wg5 s VAL 89 N 1.70 1.09 0.76 2.92 -7.23 -0.44 -4.97 120.40 114.24 2wg5 s VAL 89 Ca 0.18 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.24 2wg5 s VAL 89 Cb -0.15 -1.81 0.08 0.00 0.56 0.00 0.00 36.38 35.06 2wg5 s VAL 89 CO 0.09 -0.76 1.09 0.20 -0.31 0.00 0.00 175.10 175.41 2wg5 s ASN 90 N -3.12 4.54 0.00 4.85 0.01 -1.26 -2.40 114.94 117.56 2wg5 s ASN 90 Ca 0.16 0.51 0.06 0.00 -0.71 0.00 0.00 52.86 52.87 2wg5 s ASN 90 Cb 0.03 -1.04 -0.02 0.00 0.41 0.00 0.00 41.25 40.63 2wg5 s ASN 90 CO -0.00 -1.81 -0.19 0.42 -1.51 0.00 0.00 177.10 174.01 2wg5 s THR 91 N -3.41 1.50 0.33 1.60 -4.23 -1.26 -1.26 115.64 108.91 2wg5 s THR 91 Ca 0.62 -0.91 -0.27 0.00 -1.18 0.00 0.00 61.69 59.96 2wg5 s THR 91 Cb -0.10 -1.27 -0.13 0.00 1.34 0.00 0.00 72.50 72.34 2wg5 s THR 91 CO 0.47 0.34 0.93 -0.24 -0.54 0.00 0.00 174.62 175.58 2wg5 n SER 92 N 2.38 0.90 0.31 3.99 2.88 0.15 -4.86 113.62 119.37 2wg5 n SER 92 Ca -0.16 1.11 0.20 0.00 -1.33 0.00 0.00 58.87 58.69 2wg5 n SER 92 Cb 0.54 -1.26 1.01 0.00 -0.75 0.00 0.00 64.21 63.74 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 1.70 0.00 -0.17 -1.46 3.07 -1.99 -2.76 115.11 113.51 2wg5 h GLN 93 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.34 2wg5 h GLN 93 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 2wg5 h GLN 93 CO 0.58 0.02 0.00 0.66 0.09 0.00 0.00 178.83 180.18 2wg5 n TYR 94 N -3.23 0.23 -3.37 0.06 4.01 -1.26 -4.88 117.16 108.72 2wg5 n TYR 94 Ca -0.02 -0.12 -0.38 0.00 -0.16 0.00 0.00 57.90 57.23 2wg5 n TYR 94 Cb 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 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 5.21 -0.50 -0.72 -1.09 -1.04 -5.00 121.20 116.29 2wg5 s ILE 95 Ca 0.18 0.82 -0.27 0.00 -2.23 0.00 0.00 60.65 59.15 2wg5 s ILE 95 Cb 0.09 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2wg5 s ILE 95 CO 0.13 0.31 1.91 0.21 -1.23 0.00 0.00 174.94 176.28 2wg5 s ASN 96 N 0.71 5.38 0.57 3.58 2.47 -1.26 -4.86 114.94 121.53 2wg5 s ASN 96 Ca 0.23 0.77 0.38 0.00 0.42 0.00 0.00 52.86 54.65 2wg5 s ASN 96 Cb -0.15 -2.52 2.06 0.00 -1.45 0.00 0.00 41.25 39.19 2wg5 s ASN 96 CO 0.08 -2.21 2.17 1.05 -3.72 0.00 0.00 177.10 174.47 2wg5 h GLU 97 N 14.84 0.00 -0.97 0.43 4.11 -1.95 0.15 114.58 131.19 2wg5 h GLU 97 Ca -0.28 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.25 2wg5 h GLU 97 Cb 1.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 2wg5 h GLU 97 CO 1.15 0.00 0.62 1.49 0.07 0.00 0.00 179.01 182.34 2wg5 h GLU 98 N 0.00 0.98 0.00 1.06 4.22 -2.05 -2.68 114.58 116.12 2wg5 h GLU 98 Ca 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 2wg5 h GLU 98 Cb 0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2wg5 h GLU 98 CO 0.00 0.65 -0.11 0.93 -2.18 0.00 0.00 179.01 178.30 2wg5 h GLU 99 N 1.01 0.00 -6.40 1.92 5.08 -1.08 -3.41 114.58 111.70 2wg5 h GLU 99 Ca 0.46 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.26 2wg5 h GLU 99 Cb 0.39 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2wg5 h GLU 99 CO -0.21 0.11 0.96 -0.51 -1.00 0.00 0.00 179.01 178.36 2wg5 s LEU 100 N -6.53 3.42 0.09 1.33 1.43 -1.01 -4.87 118.68 112.53 2wg5 s LEU 100 Ca 0.01 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2wg5 s LEU 100 Cb 0.10 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.44 2wg5 s LEU 100 CO 0.59 -1.60 0.24 -1.59 0.23 0.00 0.00 176.35 174.22 2wg5 s LYS 101 N 5.15 0.87 0.19 1.70 -2.85 -1.26 -5.02 119.74 118.52 2wg5 s LYS 101 Ca 0.38 -0.84 -0.31 0.00 -1.00 0.00 0.00 55.97 54.21 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 0.20 -0.29 0.92 -2.30 0.10 0.00 0.00 175.35 173.99 2wg5 n PRO 102 N 0.04 0.72 0.00 1.78 -0.02 -1.26 -1.02 135.00 135.24 2wg5 n PRO 102 Ca -0.16 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2wg5 n PRO 102 Cb 0.62 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 1.76 3.22 3.73 -1.23 0.00 -0.32 -4.97 105.19 107.39 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 n ALA 104 N -0.93 2.62 -2.67 4.61 0.00 -0.19 -4.68 120.51 119.28 2wg5 n ALA 104 Ca 0.00 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 2wg5 n ALA 104 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 16.93 2wg5 n ALA 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wg5 s ARG 105 N 0.08 4.48 0.13 0.00 3.52 -1.26 0.08 118.95 125.98 2wg5 s ARG 105 Ca 0.68 1.06 0.06 0.00 -0.13 0.00 0.00 55.73 57.40 2wg5 s ARG 105 Cb -0.50 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2wg5 s ARG 105 CO 0.43 0.06 -0.14 0.14 -0.81 0.00 0.00 175.30 174.98 2wg5 s VAL 106 N 0.75 1.39 -0.11 7.11 -7.23 0.31 -0.79 120.40 121.83 2wg5 s VAL 106 Ca 0.42 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2wg5 s VAL 106 Cb -0.19 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 2wg5 s VAL 106 CO 0.22 -0.43 -0.20 0.00 -0.31 0.00 0.00 175.10 174.37 2wg5 s ALA 107 N -2.24 2.33 -0.04 1.32 0.00 -0.08 -1.12 121.76 121.93 2wg5 s ALA 107 Ca 0.11 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2wg5 s ALA 107 Cb -0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2wg5 s ALA 107 CO 0.03 0.28 -0.21 -0.51 0.00 0.00 0.00 175.76 175.36 2wg5 s LEU 108 N 0.32 2.34 0.20 0.00 1.43 0.46 0.15 118.68 123.59 2wg5 s LEU 108 Ca -0.16 -0.36 -0.32 0.00 -1.03 0.00 0.00 54.13 52.26 2wg5 s LEU 108 Cb -0.17 -1.43 -0.14 0.00 0.03 0.00 0.00 46.19 44.48 2wg5 s LEU 108 CO 0.08 0.32 1.50 -3.20 0.23 0.00 0.00 176.35 175.27 2wg5 n ASN 109 N 2.44 2.96 0.19 2.29 2.85 -0.09 -1.11 115.26 124.80 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 -1.43 0.40 0.00 1.24 0.00 0.00 39.78 40.50 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 5.04 0.02 0.04 1.20 4.15 -1.92 0.15 115.11 123.80 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 1.26 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 2wg5 h GLN 110 CO 0.82 0.32 -1.23 1.96 -1.93 0.00 0.00 178.83 178.77 2wg5 h GLN 111 N 0.02 0.09 0.00 1.69 1.08 -1.93 -3.40 115.11 112.67 2wg5 h GLN 111 Ca 0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2wg5 h GLN 111 Cb 0.54 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2wg5 h GLN 111 CO 0.04 1.08 -1.13 0.25 -0.95 0.00 0.00 178.83 178.12 2wg5 n THR 112 N -4.21 0.14 -1.44 -0.54 -2.24 -1.21 -4.95 114.28 99.83 2wg5 n THR 112 Ca -0.28 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 2wg5 n THR 112 Cb 0.76 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.96 -0.83 -4.77 3.22 4.77 0.54 -4.80 117.00 113.17 2wg5 n LEU 113 Ca 0.01 0.38 -0.40 0.00 -0.03 0.00 0.00 56.01 55.97 2wg5 n LEU 113 Cb 0.44 -2.77 -0.02 0.00 -2.33 0.00 0.00 43.42 38.74 2wg5 n LEU 113 CO 0.41 -1.07 0.93 0.00 -1.33 0.00 0.00 177.39 176.33 2wg5 s ALA 114 N -2.29 3.34 -0.10 -1.18 0.00 -1.26 -4.58 121.76 115.69 2wg5 s ALA 114 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 2wg5 s ALA 114 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2wg5 s ALA 114 CO 0.00 -0.64 1.60 0.42 0.00 0.00 0.00 175.76 177.14 2wg5 s ILE 115 N -1.24 3.69 -0.23 0.00 1.01 -0.39 -0.91 121.20 123.13 2wg5 s ILE 115 Ca 0.53 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.99 2wg5 s ILE 115 Cb -0.37 -3.57 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 2wg5 s ILE 115 CO 0.48 -0.11 -0.23 0.52 0.00 0.00 0.00 174.94 175.60 2wg5 n VAL 116 N 5.65 1.31 -4.21 2.92 0.31 0.12 -0.67 118.33 123.76 2wg5 n VAL 116 Ca 0.17 -0.46 -0.17 0.00 -0.01 0.00 0.00 64.34 63.87 2wg5 n VAL 116 Cb 0.43 -1.42 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 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 -6.42 1.23 -0.17 4.52 0.02 -0.99 -4.88 114.94 108.25 2wg5 s ASN 117 Ca -0.31 -0.44 -0.16 0.00 -1.02 0.00 0.00 52.86 50.92 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 0.50 -0.05 0.40 -0.69 0.02 0.00 0.00 177.10 177.28 2wg5 s VAL 118 N -0.95 5.22 0.03 1.60 1.01 -1.26 -0.90 120.40 125.15 2wg5 s VAL 118 Ca -0.02 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 2wg5 s VAL 118 Cb -0.08 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2wg5 s VAL 118 CO 0.01 0.31 0.18 -0.76 0.00 0.00 0.00 175.10 174.83 2wg5 s LEU 119 N 0.91 4.30 0.00 3.92 1.43 0.03 -4.97 118.68 124.29 2wg5 s LEU 119 Ca 0.20 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2wg5 s LEU 119 Cb -0.14 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.34 2wg5 s LEU 119 CO 0.07 0.22 0.07 -0.81 0.23 0.00 0.00 176.35 176.13