#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 s SER 2 N 0.00 -0.08 0.22 1.61 0.15 -1.26 -5.05 113.70 109.29 1wg5 s SER 2 Ca 0.00 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 55.97 1wg5 s SER 2 Cb 0.00 0.44 0.28 0.00 -1.71 0.00 0.00 66.02 65.03 1wg5 s SER 2 CO 0.00 -0.86 1.60 -1.28 1.20 0.00 0.00 173.24 173.90 1wg5 h SER 3 N 2.48 -0.79 -2.77 5.45 0.87 -2.12 -3.16 113.55 113.50 1wg5 h SER 3 Ca -0.33 0.23 -0.73 0.00 -1.23 0.00 0.00 61.79 59.73 1wg5 h SER 3 Cb 1.24 0.49 -0.20 0.00 -0.44 0.00 0.00 62.40 63.48 1wg5 h SER 3 CO 0.48 -0.26 0.74 -0.83 -0.53 0.00 0.00 176.83 176.43 1wg5 s GLY 4 N -3.64 2.29 0.11 5.77 0.00 -1.26 -4.54 107.32 106.06 1wg5 s GLY 4 Ca -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 44.72 41.48 1wg5 s GLY 4 CO 0.74 1.79 0.00 -1.14 0.00 0.00 0.00 173.10 174.49 1wg5 n SER 5 N 5.48 -0.06 -1.07 1.64 3.41 -1.20 -5.01 113.62 116.81 1wg5 n SER 5 Ca 0.24 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 59.19 1wg5 n SER 5 Cb 0.47 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1wg5 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wg5 n SER 6 N -2.89 -6.33 0.00 4.04 3.41 -1.26 -5.02 113.62 105.58 1wg5 n SER 6 Ca 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1wg5 n SER 6 Cb 0.00 -3.37 0.00 0.00 -0.26 0.00 0.00 64.21 60.58 1wg5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 7 N -3.27 0.14 3.21 5.00 0.00 -1.26 -5.08 105.19 103.94 1wg5 n GLY 7 Ca 0.01 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 1wg5 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wg5 s ASN 8 N -4.00 0.09 -0.20 1.61 3.84 -1.26 -5.17 114.94 109.85 1wg5 s ASN 8 Ca 0.00 -0.59 -0.22 0.00 0.21 0.00 0.00 52.86 52.26 1wg5 s ASN 8 Cb 0.00 0.34 0.06 0.00 -0.55 0.00 0.00 41.25 41.10 1wg5 s ASN 8 CO 0.00 -0.71 0.59 -0.55 -2.79 0.00 0.00 177.10 173.64 1wg5 s SER 9 N -2.74 -0.60 -0.02 -4.21 0.15 -1.26 -5.07 113.70 99.94 1wg5 s SER 9 Ca 0.03 1.10 -0.26 0.00 0.70 0.00 0.00 55.95 57.52 1wg5 s SER 9 Cb 0.04 1.10 -0.20 0.00 -1.71 0.00 0.00 66.02 65.25 1wg5 s SER 9 CO -0.10 -0.26 1.24 1.55 1.20 0.00 0.00 173.24 176.87 1wg5 h PRO 10 N 4.90 -0.04 0.00 5.44 0.13 -2.05 -3.47 132.00 136.91 1wg5 h PRO 10 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wg5 h PRO 10 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wg5 h PRO 10 CO 0.17 0.43 0.00 -0.40 -0.23 0.00 0.00 178.00 177.97 1wg5 n ASP 11 N -4.88 0.00 -1.85 1.44 5.68 -1.26 -5.06 116.55 110.62 1wg5 n ASP 11 Ca -0.08 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1wg5 n ASP 11 Cb 0.25 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.29 1wg5 n ASP 11 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wg5 n THR 12 N 0.00 1.03 -4.20 2.12 -2.24 -1.26 -5.09 114.28 104.64 1wg5 n THR 12 Ca 0.00 -2.32 -0.16 0.00 -2.27 0.00 0.00 64.05 59.30 1wg5 n THR 12 Cb 0.00 0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wg5 s ALA 13 N -2.11 1.34 -0.19 6.98 0.00 -1.26 -5.03 121.76 121.49 1wg5 s ALA 13 Ca 0.34 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1wg5 s ALA 13 Cb 0.37 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.85 1wg5 s ALA 13 CO -0.09 -0.69 0.01 0.09 0.00 0.00 0.00 175.76 175.08 1wg5 n ASN 14 N -1.22 -7.17 0.04 0.00 4.13 -1.26 -4.93 115.26 104.84 1wg5 n ASN 14 Ca 0.04 1.07 -0.13 0.00 1.68 0.00 0.00 54.58 57.24 1wg5 n ASN 14 Cb 0.63 -3.95 -0.14 0.00 -1.54 0.00 0.00 39.78 34.78 1wg5 n ASN 14 CO 0.00 0.00 0.00 -2.24 0.28 0.00 0.00 177.26 175.30 1wg5 h ASP 15 N 3.36 0.22 0.00 6.41 3.04 -1.94 -3.35 116.42 124.15 1wg5 h ASP 15 Ca -0.03 -0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1wg5 h ASP 15 Cb 0.41 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 1wg5 h ASP 15 CO 0.06 1.26 0.00 0.61 -2.04 0.00 0.00 179.24 179.13 1wg5 n GLY 16 N 1.59 0.94 3.86 7.15 0.00 -1.26 -3.35 105.19 114.11 1wg5 n GLY 16 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1wg5 n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wg5 s PHE 17 N -1.87 3.45 0.03 1.61 0.08 -1.22 -0.71 117.98 119.35 1wg5 s PHE 17 Ca 0.00 1.26 -0.08 0.00 0.12 0.00 0.00 56.93 58.23 1wg5 s PHE 17 Cb 0.00 -2.62 -0.00 0.00 -0.57 0.00 0.00 43.02 39.83 1wg5 s PHE 17 CO 0.00 -0.20 0.16 0.14 -0.10 0.00 0.00 175.22 175.22 1wg5 s VAL 18 N -2.43 0.11 -0.07 -0.44 -7.23 0.95 -1.10 120.40 110.18 1wg5 s VAL 18 Ca 0.55 -0.91 0.05 0.00 -1.81 0.00 0.00 61.98 59.87 1wg5 s VAL 18 Cb -0.10 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 1wg5 s VAL 18 CO 0.29 -0.50 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.74 1wg5 s ARG 19 N -2.37 2.67 -0.00 4.82 3.52 0.49 -1.22 118.95 126.86 1wg5 s ARG 19 Ca -0.07 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.66 1wg5 s ARG 19 Cb -0.02 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 1wg5 s ARG 19 CO -0.03 0.35 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.29 1wg5 s LEU 20 N -0.08 3.45 -0.03 -0.88 1.43 0.47 -0.27 118.68 122.76 1wg5 s LEU 20 Ca -0.06 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1wg5 s LEU 20 Cb -0.14 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1wg5 s LEU 20 CO 0.05 0.28 0.05 -0.13 0.23 0.00 0.00 176.35 176.83 1wg5 s ARG 21 N -1.50 -0.05 0.00 1.70 0.52 0.13 -2.57 118.95 117.18 1wg5 s ARG 21 Ca 0.19 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1wg5 s ARG 21 Cb -0.11 -0.38 0.00 0.00 0.52 0.00 0.00 34.95 34.98 1wg5 s ARG 21 CO 0.09 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.57 1wg5 n GLY 22 N 4.80 1.53 3.76 -3.53 0.00 -0.75 -0.15 105.19 110.84 1wg5 n GLY 22 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1wg5 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 23 N 0.00 3.88 0.97 0.99 1.43 -1.17 -4.49 118.68 120.29 1wg5 s LEU 23 Ca 0.00 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1wg5 s LEU 23 Cb 0.00 -4.34 0.17 0.00 0.03 0.00 0.00 46.19 42.05 1wg5 s LEU 23 CO 0.00 -1.29 1.09 -2.16 0.23 0.00 0.00 176.35 174.22 1wg5 s PRO 24 N -2.92 0.66 -0.11 1.29 0.04 -1.26 -4.82 135.00 127.88 1wg5 s PRO 24 Ca 0.69 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 1wg5 s PRO 24 Cb -0.33 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1wg5 s PRO 24 CO 0.38 -2.60 1.90 0.12 0.04 0.00 0.00 177.00 176.85 1wg5 s PHE 25 N -2.95 1.55 0.00 0.56 5.36 -1.26 -1.51 117.98 119.72 1wg5 s PHE 25 Ca 0.65 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 1wg5 s PHE 25 Cb -0.18 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.44 1wg5 s PHE 25 CO 0.57 -4.29 0.00 0.41 -1.46 0.00 0.00 175.22 170.45 1wg5 n GLY 26 N 4.85 0.53 3.72 13.12 0.00 -1.26 -5.01 105.19 121.13 1wg5 n GLY 26 Ca 0.22 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1wg5 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg5 n SER 28 N 4.09 -0.55 -0.29 0.00 7.64 -1.26 -5.00 113.62 118.26 1wg5 n SER 28 Ca 0.15 -3.07 -0.04 0.00 1.01 0.00 0.00 58.87 56.93 1wg5 n SER 28 Cb 0.37 1.54 0.12 0.00 -1.01 0.00 0.00 64.21 65.23 1wg5 n SER 28 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wg5 h LYS 29 N 0.00 1.16 -0.74 1.43 1.57 -1.99 -1.94 116.57 116.07 1wg5 h LYS 29 Ca -0.23 -0.15 0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1wg5 h LYS 29 Cb 1.13 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1wg5 h LYS 29 CO 0.33 0.88 0.52 0.93 -0.57 0.00 0.00 179.45 181.54 1wg5 h GLU 30 N 1.16 0.09 0.00 3.15 4.39 -1.98 0.34 114.58 121.72 1wg5 h GLU 30 Ca 0.28 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.92 1wg5 h GLU 30 Cb 0.08 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1wg5 h GLU 30 CO -0.04 0.06 -1.14 0.39 -1.16 0.00 0.00 179.01 177.12 1wg5 n GLU 31 N -4.36 0.61 0.01 2.33 -0.58 -0.79 -4.24 120.64 113.62 1wg5 n GLU 31 Ca 0.15 0.16 -0.02 0.00 -0.42 0.00 0.00 57.16 57.03 1wg5 n GLU 31 Cb 0.75 -1.82 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1wg5 n GLU 31 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1wg5 h ILE 32 N 0.00 0.00 -0.70 -3.67 2.04 0.18 -2.63 117.51 112.73 1wg5 h ILE 32 Ca -0.06 -0.73 0.19 0.00 1.00 0.00 0.00 64.86 65.27 1wg5 h ILE 32 Cb 1.20 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 1wg5 h ILE 32 CO 0.02 0.00 0.01 0.52 0.00 0.00 0.00 178.15 178.69 1wg5 n VAL 33 N -4.32 -0.30 -0.02 1.67 0.31 0.16 0.23 118.33 116.06 1wg5 n VAL 33 Ca -0.01 1.55 -0.17 0.00 -0.01 0.00 0.00 64.34 65.69 1wg5 n VAL 33 Cb 0.04 -2.26 -0.07 0.00 -0.91 0.00 0.00 33.84 30.64 1wg5 n VAL 33 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1wg5 h GLN 34 N 0.00 0.77 -0.26 5.55 1.08 -1.74 -3.08 115.11 117.44 1wg5 h GLN 34 Ca 0.42 -0.63 0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1wg5 h GLN 34 Cb 0.86 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1wg5 h GLN 34 CO -0.66 1.24 0.32 0.35 -0.95 0.00 0.00 178.83 179.12 1wg5 h PHE 35 N 0.50 0.00 -0.73 2.96 3.57 0.32 0.18 116.94 123.73 1wg5 h PHE 35 Ca -0.05 0.00 -0.44 0.00 3.53 0.00 0.00 57.97 61.01 1wg5 h PHE 35 Cb 1.39 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 39.88 1wg5 h PHE 35 CO 0.09 0.00 0.26 1.19 -2.23 0.00 0.00 178.31 177.62 1wg5 n PHE 36 N -3.65 2.35 -1.59 0.41 3.72 -0.41 -5.03 117.46 113.25 1wg5 n PHE 36 Ca 0.04 -2.07 -0.48 0.00 -0.05 0.00 0.00 57.45 54.89 1wg5 n PHE 36 Cb 0.45 -0.82 -0.03 0.00 -0.94 0.00 0.00 39.48 38.14 1wg5 n PHE 36 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wg5 n SER 37 N -1.04 1.41 0.00 4.37 3.41 0.62 -1.24 113.62 121.16 1wg5 n SER 37 Ca 0.49 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 60.25 1wg5 n SER 37 Cb 1.14 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1wg5 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg5 n GLY 38 N 1.87 3.24 3.91 5.00 0.00 -1.26 -5.04 105.19 112.90 1wg5 n GLY 38 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1wg5 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg5 s LEU 39 N 0.00 4.29 -0.36 0.99 1.43 -0.37 -5.08 118.68 119.58 1wg5 s LEU 39 Ca 0.00 0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1wg5 s LEU 39 Cb 0.00 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 43.05 1wg5 s LEU 39 CO 0.00 0.08 0.19 -0.70 0.23 0.00 0.00 176.35 176.15 1wg5 s GLU 40 N -2.64 2.86 0.15 1.70 2.12 -1.26 -5.02 118.70 116.60 1wg5 s GLU 40 Ca 0.39 -1.05 0.03 0.00 0.36 0.00 0.00 54.97 54.70 1wg5 s GLU 40 Cb -0.12 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1wg5 s GLU 40 CO 0.26 -0.66 0.23 0.42 -0.54 0.00 0.00 175.26 174.96 1wg5 s ILE 41 N 1.54 5.02 0.39 -3.70 1.01 -1.26 -1.64 121.20 122.56 1wg5 s ILE 41 Ca 0.02 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 1wg5 s ILE 41 Cb -0.19 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 1wg5 s ILE 41 CO 0.06 -0.09 0.95 0.68 0.00 0.00 0.00 174.94 176.54 1wg5 s VAL 42 N -1.74 4.28 -0.02 2.92 -7.23 -1.13 -4.77 120.40 112.71 1wg5 s VAL 42 Ca 0.33 1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 61.81 1wg5 s VAL 42 Cb -0.11 -3.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 1wg5 s VAL 42 CO 0.27 -0.12 1.46 -2.16 -0.31 0.00 0.00 175.10 174.24 1wg5 s PRO 43 N -2.70 4.25 -0.54 4.82 0.04 -1.26 -2.59 135.00 137.01 1wg5 s PRO 43 Ca 0.57 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1wg5 s PRO 43 Cb -0.14 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1wg5 s PRO 43 CO 0.18 -0.67 0.00 0.09 0.04 0.00 0.00 177.00 176.64 1wg5 n ASN 44 N 5.92 -2.73 -2.06 6.66 4.13 -1.26 -4.94 115.26 120.98 1wg5 n ASN 44 Ca 0.14 0.03 -0.26 0.00 1.68 0.00 0.00 54.58 56.17 1wg5 n ASN 44 Cb 0.43 -1.75 0.08 0.00 -1.54 0.00 0.00 39.78 37.00 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wg5 n GLY 45 N -1.32 5.85 3.02 7.41 0.00 -1.07 -4.96 105.19 114.11 1wg5 n GLY 45 Ca -0.07 -2.21 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 1wg5 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg5 s MET 46 N -3.64 0.88 -0.08 1.61 -1.94 -1.26 -0.41 119.30 114.46 1wg5 s MET 46 Ca 0.57 -0.33 0.02 0.00 -1.71 0.00 0.00 55.69 54.24 1wg5 s MET 46 Cb 0.46 -0.84 0.01 0.00 2.01 0.00 0.00 34.83 36.48 1wg5 s MET 46 CO 0.02 0.16 -0.12 0.99 -0.01 0.00 0.00 175.02 176.05 1wg5 s THR 47 N -0.02 1.20 -0.37 2.05 2.01 0.46 -4.97 115.64 116.00 1wg5 s THR 47 Ca 0.00 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1wg5 s THR 47 Cb -0.06 -1.11 0.12 0.00 0.01 0.00 0.00 72.50 71.46 1wg5 s THR 47 CO 0.00 0.37 0.18 -0.76 -0.69 0.00 0.00 174.62 173.72 1wg5 s LEU 48 N 0.83 2.18 1.13 4.42 1.02 -1.26 -0.56 118.68 126.44 1wg5 s LEU 48 Ca -0.11 -2.15 -0.17 0.00 0.02 0.00 0.00 54.13 51.73 1wg5 s LEU 48 Cb -0.15 -0.85 0.25 0.00 0.02 0.00 0.00 46.19 45.46 1wg5 s LEU 48 CO 0.02 -0.33 1.10 -2.16 0.02 0.00 0.00 176.35 175.00 1wg5 s PRO 49 N 1.00 -0.63 0.18 1.29 0.04 -1.26 -5.02 135.00 130.60 1wg5 s PRO 49 Ca 0.14 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.28 1wg5 s PRO 49 Cb -0.21 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1wg5 s PRO 49 CO -0.10 -3.36 0.21 0.14 0.04 0.00 0.00 177.00 173.93 1wg5 s VAL 50 N -2.99 0.04 0.00 -0.36 -7.23 -1.26 -3.72 120.40 104.88 1wg5 s VAL 50 Ca 0.69 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1wg5 s VAL 50 Cb -0.13 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1wg5 s VAL 50 CO 0.57 -0.18 0.00 0.47 -0.31 0.00 0.00 175.10 175.64 1wg5 n ASP 51 N -0.23 -0.58 0.20 4.85 8.00 0.15 -4.76 116.55 124.17 1wg5 n ASP 51 Ca -0.03 -0.32 0.07 0.00 0.71 0.00 0.00 54.79 55.23 1wg5 n ASP 51 Cb 0.64 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 42.08 1wg5 n ASP 51 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1wg5 h PHE 52 N -1.08 0.00 -0.02 1.24 0.04 -2.02 -2.89 116.94 112.20 1wg5 h PHE 52 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1wg5 h PHE 52 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1wg5 h PHE 52 CO 0.00 0.32 -0.42 1.04 -0.60 0.00 0.00 178.31 178.65 1wg5 n GLN 53 N -3.41 1.22 -0.19 1.51 6.02 -1.26 -4.94 117.38 116.33 1wg5 n GLN 53 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1wg5 n GLN 53 Cb 0.51 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wg5 n GLY 54 N 1.40 1.27 3.61 1.08 0.00 -1.09 -5.08 105.19 106.38 1wg5 n GLY 54 Ca 0.10 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1wg5 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wg5 s ARG 55 N -0.74 4.00 -0.27 1.61 0.52 -1.26 -4.66 118.95 118.16 1wg5 s ARG 55 Ca 0.00 -0.18 -0.42 0.00 -0.52 0.00 0.00 55.73 54.61 1wg5 s ARG 55 Cb 0.00 -3.63 -0.19 0.00 0.52 0.00 0.00 34.95 31.64 1wg5 s ARG 55 CO 0.00 -0.16 1.32 -1.13 0.02 0.00 0.00 175.30 175.35 1wg5 n SER 56 N 4.98 0.64 0.00 0.23 3.41 -1.26 0.30 113.62 121.93 1wg5 n SER 56 Ca -0.12 1.14 0.12 0.00 -0.26 0.00 0.00 58.87 59.75 1wg5 n SER 56 Cb 0.52 -0.87 0.72 0.00 -0.26 0.00 0.00 64.21 64.32 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wg5 n THR 57 N 2.79 0.00 -0.99 6.66 -2.24 -1.24 -4.75 114.28 114.50 1wg5 n THR 57 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1wg5 n THR 57 Cb 0.00 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1wg5 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wg5 n GLY 58 N 0.80 0.57 3.48 3.38 0.00 -1.26 -4.90 105.19 107.26 1wg5 n GLY 58 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1wg5 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg5 s GLU 59 N -0.09 2.15 0.04 1.61 2.02 -1.26 -1.82 118.70 121.35 1wg5 s GLU 59 Ca 0.00 -0.94 -0.17 0.00 0.02 0.00 0.00 54.97 53.88 1wg5 s GLU 59 Cb 0.00 -2.24 0.03 0.00 0.10 0.00 0.00 34.13 32.03 1wg5 s GLU 59 CO 0.00 0.55 0.38 0.00 0.02 0.00 0.00 175.26 176.21 1wg5 s ALA 60 N -0.93 -0.92 -0.12 5.21 0.00 -1.06 -4.03 121.76 119.91 1wg5 s ALA 60 Ca 0.15 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1wg5 s ALA 60 Cb -0.11 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1wg5 s ALA 60 CO 0.06 -0.43 -0.11 -0.06 0.00 0.00 0.00 175.76 175.21 1wg5 s PHE 61 N -2.42 1.75 -0.05 0.00 0.08 0.28 -0.40 117.98 117.23 1wg5 s PHE 61 Ca -0.06 -0.89 0.04 0.00 0.12 0.00 0.00 56.93 56.14 1wg5 s PHE 61 Cb -0.01 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1wg5 s PHE 61 CO -0.02 -0.54 -0.16 0.08 -0.10 0.00 0.00 175.22 174.48 1wg5 s VAL 62 N 1.46 2.92 -0.36 -0.44 1.01 -0.36 -0.40 120.40 124.23 1wg5 s VAL 62 Ca 0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1wg5 s VAL 62 Cb -0.13 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.20 1wg5 s VAL 62 CO -0.07 0.59 0.11 -1.58 0.00 0.00 0.00 175.10 174.14 1wg5 s GLN 63 N -0.70 2.10 0.68 2.72 0.74 0.45 -0.04 119.66 125.62 1wg5 s GLN 63 Ca 0.11 -1.61 -0.13 0.00 0.05 0.00 0.00 55.36 53.78 1wg5 s GLN 63 Cb -0.11 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.63 1wg5 s GLN 63 CO 0.00 -0.88 1.07 -0.06 -0.55 0.00 0.00 175.29 174.88 1wg5 s PHE 64 N 1.16 2.90 0.49 1.67 0.08 0.12 -2.83 117.98 121.56 1wg5 s PHE 64 Ca 0.03 1.49 0.29 0.00 0.12 0.00 0.00 56.93 58.86 1wg5 s PHE 64 Cb -0.21 -2.99 1.37 0.00 -0.57 0.00 0.00 43.02 40.62 1wg5 s PHE 64 CO -0.03 -1.37 1.80 0.00 -0.10 0.00 0.00 175.22 175.52 1wg5 h ALA 65 N -0.38 2.74 -2.22 5.36 0.00 -1.55 -3.40 119.26 119.80 1wg5 h ALA 65 Ca -0.45 0.00 0.19 0.00 0.00 0.00 0.00 54.91 54.65 1wg5 h ALA 65 Cb 1.22 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1wg5 h ALA 65 CO 0.55 -1.09 0.53 -1.54 0.00 0.00 0.00 179.25 177.70 1wg5 s SER 66 N -5.27 -0.18 0.18 0.00 1.04 -1.21 -4.93 113.70 103.34 1wg5 s SER 66 Ca -0.06 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 55.90 1wg5 s SER 66 Cb 0.24 0.44 0.13 0.00 0.10 0.00 0.00 66.02 66.93 1wg5 s SER 66 CO 0.80 -0.80 1.81 -0.61 0.98 0.00 0.00 173.24 175.41 1wg5 h GLN 67 N 2.00 0.60 -1.09 4.02 -0.00 -1.71 -1.17 115.11 117.76 1wg5 h GLN 67 Ca -0.25 -0.04 0.31 0.00 -0.00 0.00 0.00 58.65 58.68 1wg5 h GLN 67 Cb 1.23 -0.14 -0.05 0.00 0.00 0.00 0.00 27.48 28.52 1wg5 h GLN 67 CO 0.26 0.40 0.77 1.05 0.00 0.00 0.00 178.83 181.31 1wg5 h GLU 68 N 0.62 0.06 0.00 1.69 4.11 -1.94 0.78 114.58 119.90 1wg5 h GLU 68 Ca 0.23 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 1wg5 h GLU 68 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1wg5 h GLU 68 CO -0.12 0.04 -1.18 -0.89 0.07 0.00 0.00 179.01 176.93 1wg5 n ILE 69 N -4.27 0.66 -0.05 -1.06 5.41 -0.54 -4.01 119.36 115.50 1wg5 n ILE 69 Ca 0.24 -0.57 -0.13 0.00 1.00 0.00 0.00 62.75 63.28 1wg5 n ILE 69 Cb 1.12 -0.37 -0.07 0.00 -0.71 0.00 0.00 39.64 39.60 1wg5 n ILE 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wg5 h ALA 70 N 1.90 0.19 -0.87 -1.39 0.00 0.15 -3.11 119.26 116.12 1wg5 h ALA 70 Ca -0.03 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1wg5 h ALA 70 Cb 1.10 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1wg5 h ALA 70 CO 0.01 0.09 0.56 0.93 0.00 0.00 0.00 179.25 180.83 1wg5 h GLU 71 N -0.06 1.03 -0.69 0.00 5.08 -1.45 -0.75 114.58 117.74 1wg5 h GLU 71 Ca 0.02 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1wg5 h GLU 71 Cb 0.70 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1wg5 h GLU 71 CO 0.04 0.68 0.45 0.87 -1.00 0.00 0.00 179.01 180.05 1wg5 h LYS 72 N 1.06 0.65 0.00 2.33 1.57 -1.69 -0.59 116.57 119.90 1wg5 h LYS 72 Ca 0.36 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 1wg5 h LYS 72 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1wg5 h LYS 72 CO -0.14 0.43 -0.58 0.00 -0.57 0.00 0.00 179.45 178.59 1wg5 h ALA 73 N 1.63 0.68 -1.00 3.86 0.00 -1.21 -3.30 119.26 119.93 1wg5 h ALA 73 Ca 0.30 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1wg5 h ALA 73 Cb 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1wg5 h ALA 73 CO -0.10 0.62 0.66 -0.07 0.00 0.00 0.00 179.25 180.36 1wg5 h LEU 74 N 0.00 1.13 -1.84 0.00 3.38 0.29 -0.40 115.31 117.87 1wg5 h LEU 74 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wg5 h LEU 74 Cb 1.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1wg5 h LEU 74 CO 0.06 0.81 0.02 0.11 0.09 0.00 0.00 178.44 179.53 1wg5 h LYS 75 N 1.33 0.00 -1.14 1.13 1.79 -1.60 -1.84 116.57 116.25 1wg5 h LYS 75 Ca 0.37 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.64 1wg5 h LYS 75 Cb -0.12 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.42 1wg5 h LYS 75 CO -0.09 0.00 0.25 1.63 -1.08 0.00 0.00 179.45 180.17 1wg5 n LYS 76 N -2.48 1.48 -2.41 3.15 5.02 -0.16 -4.93 118.16 117.84 1wg5 n LYS 76 Ca -0.02 -1.10 -0.34 0.00 -2.02 0.00 0.00 58.31 54.83 1wg5 n LYS 76 Cb 0.06 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1wg5 n LYS 76 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1wg5 s HIS 77 N -1.23 2.97 0.00 2.13 2.46 -0.69 -3.02 115.29 117.91 1wg5 s HIS 77 Ca 0.21 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.30 1wg5 s HIS 77 Cb 0.17 -3.07 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 1wg5 s HIS 77 CO 0.03 -0.95 0.00 1.63 -2.47 0.00 0.00 174.74 172.98 1wg5 n LYS 78 N -1.24 -0.89 -2.13 2.88 4.76 0.42 -4.91 118.16 117.05 1wg5 n LYS 78 Ca 0.09 0.22 -0.43 0.00 -2.87 0.00 0.00 58.31 55.33 1wg5 n LYS 78 Cb 0.52 -4.28 -0.02 0.00 -1.84 0.00 0.00 35.03 29.41 1wg5 n LYS 78 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wg5 s GLU 79 N -1.18 3.72 0.30 1.97 0.41 -0.83 -3.71 118.70 119.37 1wg5 s GLU 79 Ca 0.00 1.55 -0.27 0.00 -0.41 0.00 0.00 54.97 55.84 1wg5 s GLU 79 Cb 0.00 -4.05 -0.10 0.00 -1.78 0.00 0.00 34.13 28.21 1wg5 s GLU 79 CO 0.00 -1.39 0.93 -0.98 -0.49 0.00 0.00 175.26 173.34 1wg5 s ARG 80 N 4.81 4.64 -0.61 1.61 1.04 -1.26 -0.94 118.95 128.23 1wg5 s ARG 80 Ca 0.71 1.35 -0.01 0.00 -1.04 0.00 0.00 55.73 56.74 1wg5 s ARG 80 Cb -0.23 -2.93 0.16 0.00 -2.04 0.00 0.00 34.95 29.90 1wg5 s ARG 80 CO 0.30 0.35 0.41 0.42 -0.04 0.00 0.00 175.30 176.74 1wg5 s ILE 81 N -1.50 3.40 0.00 4.99 1.01 -1.06 -4.75 121.20 123.29 1wg5 s ILE 81 Ca 0.47 -3.16 0.00 0.00 0.00 0.00 0.00 60.65 57.96 1wg5 s ILE 81 Cb -0.20 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1wg5 s ILE 81 CO 0.26 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.94 1wg5 n GLY 82 N 3.26 2.72 0.00 6.18 0.00 -1.26 -4.31 105.19 111.78 1wg5 n GLY 82 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1wg5 n GLY 82 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wg5 n HIS 83 N 0.00 0.00 -3.15 1.61 1.44 -1.26 -5.13 115.22 108.73 1wg5 n HIS 83 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1wg5 n HIS 83 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1wg5 n HIS 83 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wg5 s ARG 84 N 0.00 0.51 0.22 -1.40 1.81 -1.26 -5.06 118.95 113.77 1wg5 s ARG 84 Ca 0.00 0.59 -0.30 0.00 -1.72 0.00 0.00 55.73 54.30 1wg5 s ARG 84 Cb 0.00 0.29 -0.16 0.00 -0.45 0.00 0.00 34.95 34.63 1wg5 s ARG 84 CO 0.00 -0.87 0.95 0.66 -0.68 0.00 0.00 175.30 175.37 1wg5 n TYR 85 N 5.39 0.85 -4.33 -0.53 4.01 -1.26 -2.58 117.16 118.72 1wg5 n TYR 85 Ca 0.04 0.77 -0.34 0.00 -0.16 0.00 0.00 57.90 58.21 1wg5 n TYR 85 Cb 0.54 -2.19 -0.14 0.00 -0.31 0.00 0.00 39.34 37.24 1wg5 n TYR 85 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wg5 s ILE 86 N -0.71 3.15 -0.30 -0.72 -1.09 -0.12 -4.61 121.20 116.81 1wg5 s ILE 86 Ca 0.66 -0.59 -0.15 0.00 -2.23 0.00 0.00 60.65 58.34 1wg5 s ILE 86 Cb -0.83 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1wg5 s ILE 86 CO 0.56 0.48 0.36 -1.61 -1.23 0.00 0.00 174.94 173.50 1wg5 s GLU 87 N 0.91 3.85 -0.15 2.79 2.02 0.78 0.16 118.70 129.06 1wg5 s GLU 87 Ca -0.02 -0.15 -0.05 0.00 0.02 0.00 0.00 54.97 54.77 1wg5 s GLU 87 Cb -0.15 -3.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.34 1wg5 s GLU 87 CO 0.00 -0.36 0.01 0.42 0.02 0.00 0.00 175.26 175.35 1wg5 s ILE 88 N 2.04 4.37 -0.06 -1.63 1.01 -1.26 0.20 121.20 125.87 1wg5 s ILE 88 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1wg5 s ILE 88 Cb -0.16 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.43 1wg5 s ILE 88 CO 0.11 0.51 0.07 -0.36 0.00 0.00 0.00 174.94 175.27 1wg5 s PHE 89 N 0.07 0.05 0.19 3.97 0.08 0.62 -4.87 117.98 118.09 1wg5 s PHE 89 Ca 0.03 0.25 -0.29 0.00 0.12 0.00 0.00 56.93 57.03 1wg5 s PHE 89 Cb -0.13 -0.48 -0.17 0.00 -0.57 0.00 0.00 43.02 41.68 1wg5 s PHE 89 CO 0.02 -0.23 0.63 1.63 -0.10 0.00 0.00 175.22 177.18 1wg5 n LYS 90 N 5.30 0.18 -3.71 0.44 4.76 -1.26 -0.38 118.16 123.48 1wg5 n LYS 90 Ca -0.03 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 1wg5 n LYS 90 Cb 0.50 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 32.49 1wg5 n LYS 90 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wg5 n SER 91 N 1.88 -0.85 -4.03 4.39 2.88 -0.26 -4.64 113.62 112.98 1wg5 n SER 91 Ca 0.17 -2.70 -0.09 0.00 -1.33 0.00 0.00 58.87 54.92 1wg5 n SER 91 Cb 0.24 1.74 -0.11 0.00 -0.75 0.00 0.00 64.21 65.34 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg5 s SER 92 N -2.87 0.43 0.55 -3.46 0.01 -1.26 -3.39 113.70 103.71 1wg5 s SER 92 Ca 0.29 -0.64 0.36 0.00 1.31 0.00 0.00 55.95 57.27 1wg5 s SER 92 Cb 0.00 0.11 1.54 0.00 0.21 0.00 0.00 66.02 67.88 1wg5 s SER 92 CO 0.20 -0.36 1.81 -0.09 0.41 0.00 0.00 173.24 175.21 1wg5 h ARG 93 N 4.22 0.00 -0.08 12.44 9.65 -1.95 0.82 114.38 139.48 1wg5 h ARG 93 Ca -0.33 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.41 1wg5 h ARG 93 Cb 1.19 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 1wg5 h ARG 93 CO 0.47 0.00 -0.57 0.00 2.80 0.00 0.00 179.97 182.67 1wg5 h ALA 94 N 1.40 0.87 -0.27 2.80 0.00 -1.98 -3.17 119.26 118.91 1wg5 h ALA 94 Ca 0.54 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1wg5 h ALA 94 Cb 2.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1wg5 h ALA 94 CO -0.01 0.71 -0.45 0.93 0.00 0.00 0.00 179.25 180.43 1wg5 h GLU 95 N 0.20 0.79 -6.01 0.00 4.39 0.26 -3.42 114.58 110.79 1wg5 h GLU 95 Ca -0.00 -0.49 -0.60 0.00 0.34 0.00 0.00 59.36 58.62 1wg5 h GLU 95 Cb 1.07 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.67 1wg5 h GLU 95 CO 0.09 1.11 0.56 0.54 -1.16 0.00 0.00 179.01 180.15 1wg5 s VAL 96 N -4.16 4.63 -0.03 3.13 0.11 -0.92 -4.96 120.40 118.19 1wg5 s VAL 96 Ca -0.11 1.20 -0.29 0.00 -2.93 0.00 0.00 61.98 59.84 1wg5 s VAL 96 Cb 0.09 -4.29 -0.14 0.00 -1.53 0.00 0.00 36.38 30.50 1wg5 s VAL 96 CO 0.87 -0.47 0.81 0.54 -3.33 0.00 0.00 175.10 173.51 1wg5 n ARG 97 N 6.63 0.00 -2.07 1.54 3.00 -1.26 -4.86 116.66 119.64 1wg5 n ARG 97 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.89 1wg5 n ARG 97 Cb 0.48 -1.08 0.04 0.00 0.00 0.00 0.00 32.46 31.89 1wg5 n ARG 97 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wg5 n THR 98 N 1.23 0.36 -0.05 0.55 5.66 -1.26 -4.96 114.28 115.81 1wg5 n THR 98 Ca 0.15 -1.32 -0.06 0.00 -3.05 0.00 0.00 64.05 59.76 1wg5 n THR 98 Cb 0.05 0.98 -0.02 0.00 -1.55 0.00 0.00 70.33 69.79 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wg5 n SER 99 N -0.45 1.62 -0.59 1.09 2.88 -1.26 -5.13 113.62 111.79 1wg5 n SER 99 Ca -0.07 0.26 0.08 0.00 -1.33 0.00 0.00 58.87 57.81 1wg5 n SER 99 Cb 0.88 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 1wg5 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 100 N 1.96 -1.68 0.17 0.46 0.00 -1.26 -4.38 105.19 100.45 1wg5 n GLY 100 Ca -0.10 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.55 1wg5 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg5 h PRO 101 N -0.55 0.07 -2.11 1.61 0.13 -2.06 -3.49 132.00 125.60 1wg5 h PRO 101 Ca 0.00 -0.04 0.23 0.00 -0.87 0.00 0.00 66.00 65.33 1wg5 h PRO 101 Cb 0.54 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.61 1wg5 h PRO 101 CO 0.01 0.54 -0.39 0.43 -0.23 0.00 0.00 178.00 178.35 1wg5 n SER 102 N -3.97 -5.19 -4.60 1.44 7.64 -1.26 -4.41 113.62 103.27 1wg5 n SER 102 Ca -0.02 0.44 -0.43 0.00 1.01 0.00 0.00 58.87 59.87 1wg5 n SER 102 Cb 0.51 -3.04 -0.02 0.00 -1.01 0.00 0.00 64.21 60.65 1wg5 n SER 102 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg5 s SER 103 N -4.98 6.11 0.00 6.43 0.01 -1.26 -5.28 113.70 114.73 1wg5 s SER 103 Ca 0.00 0.98 0.14 0.00 1.31 0.00 0.00 55.95 58.38 1wg5 s SER 103 Cb 0.00 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.80 1wg5 s SER 103 CO 0.00 -1.59 0.93 0.61 0.41 0.00 0.00 173.24 173.60