#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg5 n SER 2 N 0.00 0.00 -4.19 1.61 2.88 -1.26 -5.03 113.62 107.63 1wg5 n SER 2 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1wg5 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1wg5 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg5 n SER 3 N -0.45 0.12 0.00 -3.46 7.64 -1.26 -4.55 113.62 111.66 1wg5 n SER 3 Ca 0.00 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.72 1wg5 n SER 3 Cb 0.00 -2.21 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 1wg5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg5 n GLY 4 N -2.22 0.50 2.63 0.23 0.00 -1.26 -4.99 105.19 100.08 1wg5 n GLY 4 Ca -0.28 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.31 1wg5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg5 s SER 5 N -4.00 3.54 -0.30 1.61 1.04 -1.26 -5.08 113.70 109.25 1wg5 s SER 5 Ca 0.00 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 54.94 1wg5 s SER 5 Cb 0.00 -0.53 0.19 0.00 0.10 0.00 0.00 66.02 65.77 1wg5 s SER 5 CO 0.00 -0.41 1.24 -0.55 0.98 0.00 0.00 173.24 174.50 1wg5 s SER 6 N 1.92 -0.13 0.13 7.02 0.15 -1.26 -5.18 113.70 116.34 1wg5 s SER 6 Ca 0.08 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.90 1wg5 s SER 6 Cb -0.17 1.14 0.02 0.00 -1.71 0.00 0.00 66.02 65.30 1wg5 s SER 6 CO -0.28 -0.03 0.14 0.61 1.20 0.00 0.00 173.24 174.88 1wg5 n GLY 7 N 4.81 2.51 3.72 9.45 0.00 -1.26 -5.06 105.19 119.36 1wg5 n GLY 7 Ca -0.07 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 1wg5 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wg5 s ASN 8 N -1.78 6.68 -0.59 1.61 0.01 -1.26 -4.98 114.94 114.63 1wg5 s ASN 8 Ca 0.10 2.51 0.05 0.00 -0.71 0.00 0.00 52.86 54.81 1wg5 s ASN 8 Cb -0.01 -2.59 0.17 0.00 0.41 0.00 0.00 41.25 39.23 1wg5 s ASN 8 CO 0.07 -0.75 0.43 -0.55 -1.51 0.00 0.00 177.10 174.78 1wg5 s SER 9 N 1.06 3.59 -0.23 -1.22 0.15 -1.26 -5.08 113.70 110.71 1wg5 s SER 9 Ca 0.67 -3.53 -0.29 0.00 0.70 0.00 0.00 55.95 53.50 1wg5 s SER 9 Cb -0.41 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 1wg5 s SER 9 CO 0.32 -0.12 1.61 -2.16 1.20 0.00 0.00 173.24 174.09 1wg5 s PRO 10 N -0.85 3.77 -0.32 5.44 0.04 -1.26 -4.96 135.00 136.86 1wg5 s PRO 10 Ca 0.27 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1wg5 s PRO 10 Cb -0.03 -4.04 0.12 0.00 0.04 0.00 0.00 34.50 30.60 1wg5 s PRO 10 CO -0.17 -1.32 0.21 0.16 0.04 0.00 0.00 177.00 175.92 1wg5 s ASP 11 N 4.28 2.76 0.00 6.66 -4.77 -1.26 -4.94 116.67 119.40 1wg5 s ASP 11 Ca 0.71 -1.46 0.00 0.00 -3.30 0.00 0.00 52.55 48.50 1wg5 s ASP 11 Cb -0.24 -0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.49 1wg5 s ASP 11 CO 0.29 -0.37 0.00 0.35 0.70 0.00 0.00 175.17 176.14 1wg5 n THR 12 N 4.82 0.00 0.00 2.11 -2.24 -1.26 -5.08 114.28 112.63 1wg5 n THR 12 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1wg5 n THR 12 Cb 0.42 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wg5 n ALA 13 N -1.36 0.00 -1.46 6.98 0.00 -1.26 -5.11 120.51 118.29 1wg5 n ALA 13 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 53.44 52.83 1wg5 n ALA 13 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 1wg5 n ALA 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wg5 n ASN 14 N 0.00 1.20 0.00 0.00 3.02 -1.26 -4.76 115.26 113.46 1wg5 n ASN 14 Ca 0.00 0.83 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 1wg5 n ASN 14 Cb 0.00 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1wg5 n ASN 14 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wg5 n ASP 15 N 6.57 4.58 0.00 6.41 8.00 -1.26 -4.76 116.55 136.09 1wg5 n ASP 15 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1wg5 n ASP 15 Cb 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg5 n GLY 16 N 3.09 1.57 3.78 0.44 0.00 -1.26 -3.74 105.19 109.07 1wg5 n GLY 16 Ca 0.00 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 3.28 0.02 1.61 0.08 -1.24 -1.92 117.98 117.81 1wg5 s PHE 17 Ca 0.00 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.70 1wg5 s PHE 17 Cb 0.00 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.31 1wg5 s PHE 17 CO 0.00 -0.60 -0.03 0.14 -0.10 0.00 0.00 175.22 174.63 1wg5 s VAL 18 N -1.66 0.10 -0.09 -0.44 -7.23 0.25 -0.74 120.40 110.60 1wg5 s VAL 18 Ca 0.57 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 1wg5 s VAL 18 Cb -0.22 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 1wg5 s VAL 18 CO 0.28 -0.39 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.95 1wg5 s ARG 19 N -1.16 3.00 0.03 4.82 3.52 0.73 -1.35 118.95 128.54 1wg5 s ARG 19 Ca -0.12 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1wg5 s ARG 19 Cb -0.08 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 1wg5 s ARG 19 CO -0.01 0.42 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.35 1wg5 s LEU 20 N -0.19 3.28 -0.04 -0.88 1.43 0.38 -0.06 118.68 122.61 1wg5 s LEU 20 Ca 0.01 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1wg5 s LEU 20 Cb -0.13 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1wg5 s LEU 20 CO 0.03 0.25 0.01 -0.13 0.23 0.00 0.00 176.35 176.75 1wg5 s ARG 21 N -1.67 0.26 0.00 1.70 0.52 0.12 -2.78 118.95 117.09 1wg5 s ARG 21 Ca 0.19 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1wg5 s ARG 21 Cb -0.11 -0.55 0.00 0.00 0.52 0.00 0.00 34.95 34.81 1wg5 s ARG 21 CO 0.10 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1wg5 n GLY 22 N 4.53 1.39 3.77 -3.53 0.00 -0.41 -0.34 105.19 110.60 1wg5 n GLY 22 Ca -0.19 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.04 4.17 0.73 0.99 1.43 -1.15 -4.53 118.68 120.29 1wg5 s LEU 23 Ca 0.00 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 1wg5 s LEU 23 Cb 0.00 -4.05 0.04 0.00 0.03 0.00 0.00 46.19 42.21 1wg5 s LEU 23 CO 0.00 -0.69 1.10 -2.16 0.23 0.00 0.00 176.35 174.83 1wg5 s PRO 24 N -2.35 2.43 -0.04 1.29 0.04 -1.26 -4.69 135.00 130.42 1wg5 s PRO 24 Ca 0.58 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1wg5 s PRO 24 Cb -0.30 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1wg5 s PRO 24 CO 0.38 -1.52 2.00 0.12 0.04 0.00 0.00 177.00 178.02 1wg5 s PHE 25 N -2.71 1.32 0.00 0.56 5.36 -1.26 -1.21 117.98 120.04 1wg5 s PHE 25 Ca 0.63 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 1wg5 s PHE 25 Cb -0.18 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.36 1wg5 s PHE 25 CO 0.51 -5.01 0.00 0.41 -1.46 0.00 0.00 175.22 169.67 1wg5 n GLY 26 N 4.84 0.89 3.71 13.12 0.00 -1.26 -5.04 105.19 121.45 1wg5 n GLY 26 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1wg5 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg5 s SER 28 N 1.25 0.15 0.40 0.00 0.01 -1.26 -5.01 113.70 109.24 1wg5 s SER 28 Ca 0.76 -1.24 0.15 0.00 1.31 0.00 0.00 55.95 56.93 1wg5 s SER 28 Cb -0.52 0.47 1.02 0.00 0.21 0.00 0.00 66.02 67.21 1wg5 s SER 28 CO 0.33 -0.98 1.84 0.11 0.41 0.00 0.00 173.24 174.96 1wg5 h LYS 29 N 2.45 0.46 -0.90 12.44 1.57 -1.98 0.64 116.57 131.24 1wg5 h LYS 29 Ca -0.32 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1wg5 h LYS 29 Cb 1.25 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.38 1wg5 h LYS 29 CO 0.45 0.31 0.54 0.93 -0.57 0.00 0.00 179.45 181.11 1wg5 h GLU 30 N 0.47 0.85 0.00 3.15 3.07 -1.97 0.37 114.58 120.52 1wg5 h GLU 30 Ca 0.48 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 59.17 1wg5 h GLU 30 Cb 1.11 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 1wg5 h GLU 30 CO -0.21 0.56 -0.68 0.93 -1.40 0.00 0.00 179.01 178.22 1wg5 h GLU 31 N 0.88 0.00 0.19 2.33 5.08 -1.31 -3.35 114.58 118.40 1wg5 h GLU 31 Ca 0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1wg5 h GLU 31 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wg5 h GLU 31 CO -0.26 0.51 -0.09 0.82 -1.00 0.00 0.00 179.01 178.99 1wg5 h ILE 32 N 0.00 0.00 -0.69 3.13 2.04 -0.02 -2.05 117.51 119.91 1wg5 h ILE 32 Ca -0.03 -0.58 0.23 0.00 1.00 0.00 0.00 64.86 65.48 1wg5 h ILE 32 Cb 1.45 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.40 1wg5 h ILE 32 CO 0.07 0.00 0.16 0.52 0.00 0.00 0.00 178.15 178.90 1wg5 n VAL 33 N -4.32 -0.29 0.07 1.67 0.31 0.11 0.21 118.33 116.09 1wg5 n VAL 33 Ca -0.03 1.48 -0.21 0.00 -0.01 0.00 0.00 64.34 65.57 1wg5 n VAL 33 Cb 0.10 -2.25 -0.13 0.00 -0.91 0.00 0.00 33.84 30.65 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 0.54 -0.59 5.55 1.08 -1.69 -3.22 115.11 116.78 1wg5 h GLN 34 Ca 0.49 -0.71 0.17 0.00 -1.45 0.00 0.00 58.65 57.15 1wg5 h GLN 34 Cb 1.15 0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.79 1wg5 h GLN 34 CO -0.60 1.31 0.64 0.35 -0.95 0.00 0.00 178.83 179.57 1wg5 h PHE 35 N 0.11 0.00 -0.89 2.96 3.57 0.32 0.40 116.94 123.42 1wg5 h PHE 35 Ca -0.16 0.00 -0.61 0.00 3.53 0.00 0.00 57.97 60.73 1wg5 h PHE 35 Cb 1.75 0.00 -0.33 0.00 2.79 0.00 0.00 35.95 40.16 1wg5 h PHE 35 CO 0.13 0.00 0.25 1.19 -2.23 0.00 0.00 178.31 177.66 1wg5 n PHE 36 N -3.62 2.99 -1.65 0.41 3.72 -0.67 -5.03 117.46 113.61 1wg5 n PHE 36 Ca 0.12 -2.67 -0.51 0.00 -0.05 0.00 0.00 57.45 54.34 1wg5 n PHE 36 Cb 0.86 -1.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.32 1wg5 n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wg5 n SER 37 N -0.86 2.47 0.00 4.37 2.88 0.14 -0.99 113.62 121.64 1wg5 n SER 37 Ca 0.55 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 59.17 1wg5 n SER 37 Cb 0.81 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1wg5 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg5 n GLY 38 N 3.36 2.86 3.90 0.46 0.00 -1.26 -5.06 105.19 109.45 1wg5 n GLY 38 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 4.20 -0.28 0.99 1.43 -0.16 -5.08 118.68 119.79 1wg5 s LEU 39 Ca 0.00 0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 53.66 1wg5 s LEU 39 Cb 0.00 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1wg5 s LEU 39 CO 0.00 -0.03 0.09 -0.70 0.23 0.00 0.00 176.35 175.94 1wg5 s GLU 40 N -2.96 3.42 0.12 1.70 2.12 -1.26 -5.01 118.70 116.83 1wg5 s GLU 40 Ca 0.42 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 55.18 1wg5 s GLU 40 Cb -0.11 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1wg5 s GLU 40 CO 0.26 -0.31 -0.08 0.42 -0.54 0.00 0.00 175.26 175.00 1wg5 s ILE 41 N 1.58 3.44 0.54 -3.70 1.01 -1.26 -1.86 121.20 120.96 1wg5 s ILE 41 Ca 0.05 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.21 1wg5 s ILE 41 Cb -0.16 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 1wg5 s ILE 41 CO 0.04 0.06 1.03 0.68 0.00 0.00 0.00 174.94 176.75 1wg5 s VAL 42 N -1.34 3.96 0.12 2.92 -7.23 -1.14 -4.81 120.40 112.89 1wg5 s VAL 42 Ca 0.23 1.04 -0.31 0.00 -1.81 0.00 0.00 61.98 61.13 1wg5 s VAL 42 Cb -0.11 -3.48 -0.08 0.00 0.56 0.00 0.00 36.38 33.28 1wg5 s VAL 42 CO 0.15 -0.45 1.35 -2.16 -0.31 0.00 0.00 175.10 173.69 1wg5 s PRO 43 N -3.77 4.34 -1.62 4.82 0.04 -1.26 -2.71 135.00 134.85 1wg5 s PRO 43 Ca 0.64 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1wg5 s PRO 43 Cb -0.15 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1wg5 s PRO 43 CO 0.29 -0.38 0.00 0.09 0.04 0.00 0.00 177.00 177.04 1wg5 n ASN 44 N 3.73 -5.19 -2.14 6.66 3.02 -1.26 -4.88 115.26 115.19 1wg5 n ASN 44 Ca 0.10 0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.52 1wg5 n ASN 44 Cb 0.43 -4.27 0.18 0.00 -0.61 0.00 0.00 39.78 35.51 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wg5 n GLY 45 N -0.96 4.61 3.08 7.41 0.00 -1.10 -4.92 105.19 113.32 1wg5 n GLY 45 Ca -0.20 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.33 1.50 -0.12 1.61 -1.94 -1.26 0.11 119.30 115.88 1wg5 s MET 46 Ca 0.56 -0.49 0.03 0.00 -1.71 0.00 0.00 55.69 54.09 1wg5 s MET 46 Cb 0.48 -1.32 0.00 0.00 2.01 0.00 0.00 34.83 36.00 1wg5 s MET 46 CO 0.09 0.18 -0.23 0.99 -0.01 0.00 0.00 175.02 176.04 1wg5 s THR 47 N 0.15 2.08 -0.39 2.05 2.01 0.71 -4.97 115.64 117.28 1wg5 s THR 47 Ca -0.05 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1wg5 s THR 47 Cb -0.11 -1.80 0.12 0.00 0.01 0.00 0.00 72.50 70.72 1wg5 s THR 47 CO 0.02 0.56 0.18 -0.76 -0.69 0.00 0.00 174.62 173.92 1wg5 s LEU 48 N 0.52 2.61 1.13 4.42 1.02 -1.26 -1.00 118.68 126.12 1wg5 s LEU 48 Ca -0.14 -2.25 -0.17 0.00 0.02 0.00 0.00 54.13 51.59 1wg5 s LEU 48 Cb -0.17 -0.99 0.25 0.00 0.02 0.00 0.00 46.19 45.30 1wg5 s LEU 48 CO 0.05 -0.33 1.10 -2.16 0.02 0.00 0.00 176.35 175.03 1wg5 s PRO 49 N 0.84 -0.64 0.22 1.29 0.04 -1.26 -5.03 135.00 130.47 1wg5 s PRO 49 Ca 0.15 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1wg5 s PRO 49 Cb -0.22 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1wg5 s PRO 49 CO -0.09 -3.37 0.37 1.33 0.04 0.00 0.00 177.00 175.28 1wg5 n VAL 50 N -4.56 0.00 -3.29 -0.36 0.24 -1.26 -3.81 118.33 105.29 1wg5 n VAL 50 Ca 0.10 -0.90 -0.10 0.00 -2.04 0.00 0.00 64.34 61.40 1wg5 n VAL 50 Cb 0.59 0.64 0.02 0.00 -1.47 0.00 0.00 33.84 33.62 1wg5 n VAL 50 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1wg5 n ASP 51 N -1.62 1.30 0.16 -1.34 5.68 -0.81 -4.84 116.55 115.08 1wg5 n ASP 51 Ca -0.02 -1.76 0.11 0.00 -0.50 0.00 0.00 54.79 52.62 1wg5 n ASP 51 Cb 0.36 -0.12 0.58 0.00 -1.14 0.00 0.00 41.12 40.80 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1wg5 n PHE 52 N -1.37 0.72 0.61 2.11 7.35 -1.26 -0.19 117.46 125.43 1wg5 n PHE 52 Ca 0.04 0.38 0.11 0.00 -0.76 0.00 0.00 57.45 57.21 1wg5 n PHE 52 Cb 0.28 -1.10 -0.09 0.00 0.35 0.00 0.00 39.48 38.92 1wg5 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1wg5 n GLN 53 N -2.25 0.26 -0.44 -4.13 6.02 -1.26 -4.97 117.38 110.61 1wg5 n GLN 53 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1wg5 n GLN 53 Cb 0.04 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.77 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 0.78 3.81 1.08 0.00 0.73 -5.06 105.19 107.94 1wg5 n GLY 54 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.56 4.22 0.25 1.61 0.52 -1.26 -4.69 118.95 119.03 1wg5 s ARG 55 Ca 0.00 0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 55.67 1wg5 s ARG 55 Cb 0.00 -3.13 -0.13 0.00 0.52 0.00 0.00 34.95 32.21 1wg5 s ARG 55 CO 0.00 0.56 1.36 -1.13 0.02 0.00 0.00 175.30 176.11 1wg5 n SER 56 N 1.38 2.60 -0.59 0.23 3.41 -1.26 -1.92 113.62 117.47 1wg5 n SER 56 Ca -0.08 1.15 0.06 0.00 -0.26 0.00 0.00 58.87 59.75 1wg5 n SER 56 Cb 0.51 -1.42 0.17 0.00 -0.26 0.00 0.00 64.21 63.21 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 1.57 0.41 -1.03 6.66 -2.24 -1.25 -4.87 114.28 113.54 1wg5 n THR 57 Ca 0.11 -0.43 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1wg5 n THR 57 Cb 0.32 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.03 0.49 3.25 3.38 0.00 -1.26 -4.92 105.19 107.15 1wg5 n GLY 58 Ca 0.12 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.96 1.33 -0.02 1.61 2.02 -1.26 -1.28 118.70 120.13 1wg5 s GLU 59 Ca 0.00 -0.95 -0.19 0.00 0.02 0.00 0.00 54.97 53.84 1wg5 s GLU 59 Cb 0.00 -1.45 0.04 0.00 0.10 0.00 0.00 34.13 32.82 1wg5 s GLU 59 CO 0.00 0.37 0.41 0.00 0.02 0.00 0.00 175.26 176.06 1wg5 s ALA 60 N -0.85 -1.05 -0.16 5.21 0.00 -1.12 -4.25 121.76 119.55 1wg5 s ALA 60 Ca 0.07 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1wg5 s ALA 60 Cb -0.09 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1wg5 s ALA 60 CO 0.02 -0.30 -0.12 -0.06 0.00 0.00 0.00 175.76 175.30 1wg5 s PHE 61 N -1.33 2.12 -0.06 0.00 0.08 -0.17 -0.47 117.98 118.15 1wg5 s PHE 61 Ca -0.13 -1.24 0.01 0.00 0.12 0.00 0.00 56.93 55.69 1wg5 s PHE 61 Cb -0.04 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1wg5 s PHE 61 CO 0.06 -0.67 -0.05 0.08 -0.10 0.00 0.00 175.22 174.54 1wg5 s VAL 62 N 1.50 3.83 -0.38 -0.44 1.01 -0.45 -0.21 120.40 125.25 1wg5 s VAL 62 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1wg5 s VAL 62 Cb -0.14 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.74 1wg5 s VAL 62 CO -0.10 0.55 0.16 -1.58 0.00 0.00 0.00 175.10 174.13 1wg5 s GLN 63 N -0.97 2.08 0.69 2.72 0.74 0.12 -0.58 119.66 124.45 1wg5 s GLN 63 Ca 0.14 -1.70 -0.13 0.00 0.05 0.00 0.00 55.36 53.72 1wg5 s GLN 63 Cb -0.11 -3.49 0.01 0.00 1.10 0.00 0.00 33.01 30.52 1wg5 s GLN 63 CO 0.03 -0.97 1.09 -0.06 -0.55 0.00 0.00 175.29 174.83 1wg5 s PHE 64 N 1.16 2.74 0.52 1.67 0.08 -0.81 -2.88 117.98 120.46 1wg5 s PHE 64 Ca 0.06 1.53 0.29 0.00 0.12 0.00 0.00 56.93 58.92 1wg5 s PHE 64 Cb -0.22 -3.06 1.41 0.00 -0.57 0.00 0.00 43.02 40.58 1wg5 s PHE 64 CO -0.04 -1.56 1.89 0.00 -0.10 0.00 0.00 175.22 175.42 1wg5 h ALA 65 N -0.35 2.71 -2.30 5.36 0.00 -1.62 -3.41 119.26 119.65 1wg5 h ALA 65 Ca -0.45 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1wg5 h ALA 65 Cb 1.23 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wg5 h ALA 65 CO 0.54 -0.96 0.21 -1.13 0.00 0.00 0.00 179.25 177.90 1wg5 n SER 66 N -4.32 -1.02 -0.03 0.00 3.41 -1.25 -4.96 113.62 105.45 1wg5 n SER 66 Ca 0.18 -1.64 -0.14 0.00 -0.26 0.00 0.00 58.87 57.01 1wg5 n SER 66 Cb 0.89 1.68 -0.10 0.00 -0.26 0.00 0.00 64.21 66.42 1wg5 n SER 66 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1wg5 h GLN 67 N 0.00 0.10 -1.18 4.33 -0.00 -1.86 -2.65 115.11 113.84 1wg5 h GLN 67 Ca -0.15 -0.08 0.34 0.00 -0.00 0.00 0.00 58.65 58.76 1wg5 h GLN 67 Cb 0.60 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.03 1wg5 h GLN 67 CO 0.20 0.72 0.81 1.05 0.00 0.00 0.00 178.83 181.61 1wg5 h GLU 68 N -0.49 0.14 0.00 1.69 4.11 -1.97 0.72 114.58 118.79 1wg5 h GLU 68 Ca -0.00 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 59.18 1wg5 h GLU 68 Cb 0.73 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1wg5 h GLU 68 CO 0.02 0.09 -1.22 0.82 0.07 0.00 0.00 179.01 178.79 1wg5 h ILE 69 N 0.14 1.45 -0.56 -1.06 2.04 -1.95 -3.30 117.51 114.27 1wg5 h ILE 69 Ca 0.62 -3.20 -0.01 0.00 1.00 0.00 0.00 64.86 63.26 1wg5 h ILE 69 Cb 2.10 2.72 -0.03 0.00 -0.74 0.00 0.00 36.82 40.88 1wg5 h ILE 69 CO -0.15 0.83 0.31 0.00 0.00 0.00 0.00 178.15 179.14 1wg5 h ALA 70 N 0.99 0.72 -0.43 1.87 0.00 0.81 -2.84 119.26 120.38 1wg5 h ALA 70 Ca -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wg5 h ALA 70 Cb 1.85 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1wg5 h ALA 70 CO 0.12 0.24 0.27 0.93 0.00 0.00 0.00 179.25 180.80 1wg5 h GLU 71 N 0.75 0.57 -0.92 0.00 5.08 -1.49 -1.12 114.58 117.46 1wg5 h GLU 71 Ca 0.20 -0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.71 1wg5 h GLU 71 Cb 0.05 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 1wg5 h GLU 71 CO -0.03 0.41 0.60 0.87 -1.00 0.00 0.00 179.01 179.86 1wg5 h LYS 72 N 0.57 0.47 0.08 2.33 1.57 -1.58 0.62 116.57 120.63 1wg5 h LYS 72 Ca 0.15 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.65 1wg5 h LYS 72 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1wg5 h LYS 72 CO -0.03 0.31 -1.16 0.00 -0.57 0.00 0.00 179.45 178.00 1wg5 h ALA 73 N 1.61 0.19 -0.80 3.86 0.00 -1.24 -3.31 119.26 119.57 1wg5 h ALA 73 Ca 0.48 -0.89 0.14 0.00 0.00 0.00 0.00 54.91 54.65 1wg5 h ALA 73 Cb 1.09 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 1wg5 h ALA 73 CO -0.21 1.06 0.37 -0.07 0.00 0.00 0.00 179.25 180.40 1wg5 h LEU 74 N 0.05 0.42 -2.15 0.00 3.38 0.37 0.49 115.31 117.87 1wg5 h LEU 74 Ca -0.09 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wg5 h LEU 74 Cb 1.89 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1wg5 h LEU 74 CO 0.18 0.17 0.04 0.11 0.09 0.00 0.00 178.44 179.03 1wg5 h LYS 75 N 0.54 0.00 -1.12 1.13 1.79 -1.58 -1.76 116.57 115.56 1wg5 h LYS 75 Ca 0.44 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.76 1wg5 h LYS 75 Cb 0.63 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.20 1wg5 h LYS 75 CO -0.38 0.00 0.19 1.63 -1.08 0.00 0.00 179.45 179.81 1wg5 n LYS 76 N -2.66 1.35 -1.77 3.15 5.02 0.17 -4.92 118.16 118.50 1wg5 n LYS 76 Ca -0.02 -0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 55.13 1wg5 n LYS 76 Cb 0.09 -1.32 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.91 2.92 -0.17 2.13 2.46 -0.67 -3.09 115.29 117.97 1wg5 s HIS 77 Ca 0.16 1.50 0.00 0.00 0.47 0.00 0.00 55.06 57.18 1wg5 s HIS 77 Cb 0.13 -3.00 0.00 0.00 -0.13 0.00 0.00 32.58 29.58 1wg5 s HIS 77 CO 0.02 -1.32 0.00 1.63 -2.47 0.00 0.00 174.74 172.61 1wg5 n LYS 78 N -2.58 -1.96 -2.40 2.88 4.76 0.25 -4.89 118.16 114.22 1wg5 n LYS 78 Ca 0.09 0.53 -0.43 0.00 -2.87 0.00 0.00 58.31 55.63 1wg5 n LYS 78 Cb 0.53 -4.94 -0.02 0.00 -1.84 0.00 0.00 35.03 28.75 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 -2.05 3.85 0.32 1.97 0.41 -1.02 -4.06 118.70 118.11 1wg5 s GLU 79 Ca 0.00 1.19 -0.25 0.00 -0.41 0.00 0.00 54.97 55.50 1wg5 s GLU 79 Cb 0.00 -3.91 -0.10 0.00 -1.78 0.00 0.00 34.13 28.34 1wg5 s GLU 79 CO 0.00 -1.21 0.93 -0.98 -0.49 0.00 0.00 175.26 173.51 1wg5 s ARG 80 N 4.33 4.55 -0.58 1.61 1.04 -1.26 -1.04 118.95 127.60 1wg5 s ARG 80 Ca 0.57 1.29 0.02 0.00 -1.04 0.00 0.00 55.73 56.58 1wg5 s ARG 80 Cb -0.16 -2.78 0.14 0.00 -2.04 0.00 0.00 34.95 30.11 1wg5 s ARG 80 CO 0.25 0.28 0.35 0.42 -0.04 0.00 0.00 175.30 176.55 1wg5 s ILE 81 N -1.63 2.93 0.00 4.99 1.01 -0.98 -4.78 121.20 122.74 1wg5 s ILE 81 Ca 0.50 -3.39 0.00 0.00 0.00 0.00 0.00 60.65 57.76 1wg5 s ILE 81 Cb -0.18 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1wg5 s ILE 81 CO 0.23 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.93 1wg5 n GLY 82 N 3.01 2.80 0.00 6.18 0.00 -1.26 -4.34 105.19 111.59 1wg5 n GLY 82 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -5.13 115.22 108.72 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 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 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 0.44 0.33 -1.40 1.81 -1.26 -5.06 118.95 113.81 1wg5 s ARG 84 Ca 0.00 0.68 -0.27 0.00 -1.72 0.00 0.00 55.73 54.42 1wg5 s ARG 84 Cb 0.00 0.37 -0.13 0.00 -0.45 0.00 0.00 34.95 34.74 1wg5 s ARG 84 CO 0.00 -0.58 1.08 0.66 -0.68 0.00 0.00 175.30 175.78 1wg5 n TYR 85 N 5.41 1.49 -4.73 -0.53 4.01 -1.26 -2.32 117.16 119.24 1wg5 n TYR 85 Ca -0.00 0.63 -0.33 0.00 -0.16 0.00 0.00 57.90 58.04 1wg5 n TYR 85 Cb 0.53 -2.29 -0.14 0.00 -0.31 0.00 0.00 39.34 37.13 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 -1.12 3.20 -0.37 -0.72 -1.09 -0.20 -4.64 121.20 116.26 1wg5 s ILE 86 Ca 0.59 -0.62 -0.13 0.00 -2.23 0.00 0.00 60.65 58.26 1wg5 s ILE 86 Cb -0.63 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 37.91 1wg5 s ILE 86 CO 0.60 0.53 0.25 -1.61 -1.23 0.00 0.00 174.94 173.48 1wg5 s GLU 87 N 0.20 3.17 -0.17 2.79 2.02 0.54 0.88 118.70 128.14 1wg5 s GLU 87 Ca -0.07 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 53.96 1wg5 s GLU 87 Cb -0.15 -3.84 -0.05 0.00 0.10 0.00 0.00 34.13 30.20 1wg5 s GLU 87 CO 0.05 -0.60 0.13 0.42 0.02 0.00 0.00 175.26 175.28 1wg5 s ILE 88 N 1.67 5.43 -0.04 -1.63 1.01 -1.26 0.10 121.20 126.49 1wg5 s ILE 88 Ca 0.05 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1wg5 s ILE 88 Cb -0.18 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 38.88 1wg5 s ILE 88 CO 0.09 0.50 0.06 -0.36 0.00 0.00 0.00 174.94 175.24 1wg5 s PHE 89 N -0.14 0.02 0.14 3.97 0.08 0.92 -4.90 117.98 118.07 1wg5 s PHE 89 Ca 0.10 0.26 -0.34 0.00 0.12 0.00 0.00 56.93 57.07 1wg5 s PHE 89 Cb -0.11 -0.37 -0.16 0.00 -0.57 0.00 0.00 43.02 41.80 1wg5 s PHE 89 CO 0.00 -0.17 1.17 1.17 -0.10 0.00 0.00 175.22 177.30 1wg5 n LYS 90 N 4.91 1.00 -2.53 0.44 0.00 -1.26 -0.19 118.16 120.53 1wg5 n LYS 90 Ca -0.12 0.36 -0.05 0.00 0.00 0.00 0.00 58.31 58.50 1wg5 n LYS 90 Cb 0.50 -1.87 -0.02 0.00 0.00 0.00 0.00 35.03 33.64 1wg5 n LYS 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wg5 n SER 91 N 2.09 -0.19 -4.11 3.14 2.88 0.08 -4.73 113.62 112.78 1wg5 n SER 91 Ca 0.16 -1.54 -0.08 0.00 -1.33 0.00 0.00 58.87 56.08 1wg5 n SER 91 Cb 0.22 0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.58 0.51 0.46 -3.46 0.01 -1.26 -3.61 113.70 104.77 1wg5 s SER 92 Ca 0.10 -1.06 0.15 0.00 1.31 0.00 0.00 55.95 56.45 1wg5 s SER 92 Cb 0.00 0.21 1.06 0.00 0.21 0.00 0.00 66.02 67.51 1wg5 s SER 92 CO 0.07 -0.62 2.03 -0.09 0.41 0.00 0.00 173.24 175.03 1wg5 h ARG 93 N 3.05 0.00 0.00 12.44 2.43 -1.93 -1.40 114.38 128.98 1wg5 h ARG 93 Ca -0.34 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1wg5 h ARG 93 Cb 1.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1wg5 h ARG 93 CO 0.64 0.14 -0.17 0.00 -1.51 0.00 0.00 179.97 179.08 1wg5 h ALA 94 N 1.86 1.19 0.01 2.80 0.00 -1.99 -3.14 119.26 120.00 1wg5 h ALA 94 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1wg5 h ALA 94 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wg5 h ALA 94 CO 0.02 0.21 -0.41 0.93 0.00 0.00 0.00 179.25 180.00 1wg5 h GLU 95 N 0.00 0.02 -6.48 0.00 5.08 -1.68 -3.43 114.58 108.10 1wg5 h GLU 95 Ca -0.00 -0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 57.76 1wg5 h GLU 95 Cb 0.48 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1wg5 h GLU 95 CO 0.02 1.02 1.08 0.54 -1.00 0.00 0.00 179.01 180.67 1wg5 s VAL 96 N -2.28 3.86 1.00 3.13 0.11 -1.03 -4.99 120.40 120.20 1wg5 s VAL 96 Ca -0.21 0.81 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 1wg5 s VAL 96 Cb -0.00 -4.36 0.12 0.00 -1.53 0.00 0.00 36.38 30.60 1wg5 s VAL 96 CO 0.68 -1.00 0.68 -2.11 -3.33 0.00 0.00 175.10 170.01 1wg5 n ARG 97 N 8.38 -0.83 -2.24 1.54 0.00 -1.26 -4.87 116.66 117.38 1wg5 n ARG 97 Ca 0.14 -0.20 -0.02 0.00 -0.00 0.00 0.00 57.85 57.77 1wg5 n ARG 97 Cb 0.49 -2.05 0.06 0.00 -0.00 0.00 0.00 32.46 30.96 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 -4.12 0.00 -3.45 8.89 5.66 -1.26 -4.97 114.28 115.02 1wg5 n THR 98 Ca 0.07 -0.64 -0.25 0.00 -3.05 0.00 0.00 64.05 60.19 1wg5 n THR 98 Cb 0.54 0.77 -0.00 0.00 -1.55 0.00 0.00 70.33 70.09 1wg5 n THR 98 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wg5 n SER 99 N -0.77 -3.80 -3.28 1.09 7.64 -1.26 -4.83 113.62 108.41 1wg5 n SER 99 Ca -0.11 -0.45 -0.30 0.00 1.01 0.00 0.00 58.87 59.02 1wg5 n SER 99 Cb 0.71 -3.14 0.02 0.00 -1.01 0.00 0.00 64.21 60.79 1wg5 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg5 n GLY 100 N -1.22 -3.05 0.08 0.23 0.00 -1.26 -4.77 105.19 95.19 1wg5 n GLY 100 Ca -0.01 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.76 1wg5 n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg5 n PRO 101 N 1.53 0.12 -3.97 1.61 -0.04 -1.26 -4.72 135.00 128.28 1wg5 n PRO 101 Ca 0.03 0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 63.52 1wg5 n PRO 101 Cb 0.40 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 1wg5 n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wg5 s SER 102 N -3.75 6.14 -0.21 3.54 0.01 -1.26 -5.10 113.70 113.07 1wg5 s SER 102 Ca 0.05 0.27 -0.10 0.00 1.31 0.00 0.00 55.95 57.48 1wg5 s SER 102 Cb 0.09 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.40 1wg5 s SER 102 CO 0.34 0.25 0.13 -0.44 0.41 0.00 0.00 173.24 173.93 1wg5 s SER 103 N -1.97 6.08 0.00 2.44 0.01 -1.26 -5.07 113.70 113.93 1wg5 s SER 103 Ca 0.27 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wg5 s SER 103 Cb -0.12 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1wg5 s SER 103 CO 0.19 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.58