#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 -0.98 0.25 1.61 0.15 -1.26 -5.17 113.70 108.30 1wg5 s SER 2 Ca 0.00 1.47 0.01 0.00 0.70 0.00 0.00 55.95 58.13 1wg5 s SER 2 Cb 0.00 1.93 -0.03 0.00 -1.71 0.00 0.00 66.02 66.20 1wg5 s SER 2 CO 0.00 -0.22 0.21 -0.94 1.20 0.00 0.00 173.24 173.48 1wg5 s SER 3 N 2.51 0.60 0.00 5.45 1.04 -1.26 -5.15 113.70 116.89 1wg5 s SER 3 Ca -0.07 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.89 1wg5 s SER 3 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1wg5 s SER 3 CO -0.18 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1wg5 n GLY 4 N -0.39 4.23 3.15 7.32 0.00 -1.26 -5.16 105.19 113.08 1wg5 n GLY 4 Ca 0.03 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.30 1wg5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg5 s SER 5 N 0.00 -0.10 0.45 1.61 0.15 -1.26 -5.18 113.70 109.38 1wg5 s SER 5 Ca 0.00 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.77 1wg5 s SER 5 Cb 0.00 1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 65.37 1wg5 s SER 5 CO 0.00 -0.02 0.28 -0.55 1.20 0.00 0.00 173.24 174.15 1wg5 s SER 6 N 2.99 4.61 -0.40 5.45 0.15 -1.26 -5.09 113.70 120.15 1wg5 s SER 6 Ca -0.05 -1.08 0.06 0.00 0.70 0.00 0.00 55.95 55.58 1wg5 s SER 6 Cb -0.08 -0.20 0.31 0.00 -1.71 0.00 0.00 66.02 64.35 1wg5 s SER 6 CO -0.09 -0.74 1.23 0.61 1.20 0.00 0.00 173.24 175.46 1wg5 n GLY 7 N -1.46 0.40 3.11 9.45 0.00 -1.26 -5.11 105.19 110.33 1wg5 n GLY 7 Ca -0.01 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.97 4.66 0.01 1.61 2.47 -1.26 -5.09 114.94 116.37 1wg5 s ASN 8 Ca 0.20 -1.38 0.00 0.00 0.42 0.00 0.00 52.86 52.10 1wg5 s ASN 8 Cb 0.30 -1.63 -0.01 0.00 -1.45 0.00 0.00 41.25 38.46 1wg5 s ASN 8 CO -0.08 -0.23 -0.02 -0.44 -3.72 0.00 0.00 177.10 172.61 1wg5 s SER 9 N 1.17 0.17 -0.17 -4.21 0.01 -1.26 -5.12 113.70 104.29 1wg5 s SER 9 Ca -0.06 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 1wg5 s SER 9 Cb -0.20 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1wg5 s SER 9 CO -0.03 -0.16 1.57 -2.16 0.41 0.00 0.00 173.24 172.87 1wg5 s PRO 10 N -0.80 3.95 -0.91 12.44 0.04 -1.26 -4.95 135.00 143.51 1wg5 s PRO 10 Ca -0.08 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 1wg5 s PRO 10 Cb -0.06 -3.98 0.07 0.00 0.04 0.00 0.00 34.50 30.57 1wg5 s PRO 10 CO -0.01 -1.10 1.27 0.34 0.04 0.00 0.00 177.00 177.55 1wg5 s ASP 11 N 3.68 6.46 -0.38 6.66 2.15 -1.26 -4.93 116.67 129.06 1wg5 s ASP 11 Ca 0.69 -1.44 0.01 0.00 0.43 0.00 0.00 52.55 52.24 1wg5 s ASP 11 Cb -0.26 -2.50 0.12 0.00 -0.30 0.00 0.00 42.92 39.97 1wg5 s ASP 11 CO 0.27 -1.41 0.17 0.42 -0.17 0.00 0.00 175.17 174.45 1wg5 s THR 12 N 4.28 1.17 -0.32 1.71 -4.23 -1.26 -4.95 115.64 112.05 1wg5 s THR 12 Ca 0.38 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.77 1wg5 s THR 12 Cb -0.04 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 71.96 1wg5 s THR 12 CO -0.04 -0.79 0.25 0.00 -0.54 0.00 0.00 174.62 173.50 1wg5 n ALA 13 N 4.15 -3.01 -3.77 3.99 0.00 -1.26 -5.03 120.51 115.59 1wg5 n ALA 13 Ca 0.04 0.62 -0.23 0.00 0.00 0.00 0.00 53.44 53.87 1wg5 n ALA 13 Cb 0.38 -1.91 -0.17 0.00 0.00 0.00 0.00 19.45 17.75 1wg5 n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wg5 s ASN 14 N -1.82 1.59 -0.06 0.00 0.01 -1.26 -5.00 114.94 108.40 1wg5 s ASN 14 Ca 0.12 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 1wg5 s ASN 14 Cb -0.03 -0.53 -0.06 0.00 0.41 0.00 0.00 41.25 41.05 1wg5 s ASN 14 CO 0.68 -0.15 -0.01 0.47 -1.51 0.00 0.00 177.10 176.58 1wg5 n ASP 15 N 4.87 3.66 0.00 -1.22 8.00 -1.26 -4.67 116.55 125.93 1wg5 n ASP 15 Ca -0.12 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1wg5 n ASP 15 Cb 0.50 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 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 2.87 1.14 3.83 0.44 0.00 -1.26 -3.51 105.19 108.69 1wg5 n GLY 16 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 3.48 -0.00 1.61 0.08 -1.24 -0.60 117.98 119.32 1wg5 s PHE 17 Ca 0.00 1.33 -0.02 0.00 0.12 0.00 0.00 56.93 58.36 1wg5 s PHE 17 Cb 0.00 -2.60 -0.00 0.00 -0.57 0.00 0.00 43.02 39.84 1wg5 s PHE 17 CO 0.00 0.18 0.03 0.14 -0.10 0.00 0.00 175.22 175.47 1wg5 s VAL 18 N -1.81 0.04 -0.14 -0.44 -7.23 0.33 -1.23 120.40 109.92 1wg5 s VAL 18 Ca 0.50 -0.36 -0.01 0.00 -1.81 0.00 0.00 61.98 60.30 1wg5 s VAL 18 Cb -0.13 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1wg5 s VAL 18 CO 0.19 -0.20 -0.10 -0.60 -0.31 0.00 0.00 175.10 174.08 1wg5 s ARG 19 N -0.60 3.48 0.02 4.82 3.52 0.19 -1.28 118.95 129.11 1wg5 s ARG 19 Ca -0.07 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1wg5 s ARG 19 Cb -0.04 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1wg5 s ARG 19 CO -0.00 0.23 0.08 -0.51 -0.81 0.00 0.00 175.30 174.29 1wg5 s LEU 20 N 0.34 3.86 -0.04 -0.88 1.43 0.09 0.01 118.68 123.49 1wg5 s LEU 20 Ca -0.08 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1wg5 s LEU 20 Cb -0.15 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.76 1wg5 s LEU 20 CO 0.05 0.24 0.03 -0.13 0.23 0.00 0.00 176.35 176.77 1wg5 s ARG 21 N -1.93 0.15 0.00 1.70 0.52 0.13 -3.04 118.95 116.48 1wg5 s ARG 21 Ca 0.25 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1wg5 s ARG 21 Cb -0.12 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.78 1wg5 s ARG 21 CO 0.16 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1wg5 n GLY 22 N 4.87 1.45 3.77 -3.53 0.00 -0.62 -0.35 105.19 110.78 1wg5 n GLY 22 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 4.14 1.04 0.99 1.43 -1.10 -4.49 118.68 120.69 1wg5 s LEU 23 Ca 0.00 2.43 -0.14 0.00 -1.03 0.00 0.00 54.13 55.39 1wg5 s LEU 23 Cb 0.00 -4.06 0.21 0.00 0.03 0.00 0.00 46.19 42.38 1wg5 s LEU 23 CO 0.00 -0.81 1.10 -2.16 0.23 0.00 0.00 176.35 174.70 1wg5 s PRO 24 N -2.40 0.05 0.07 1.29 0.04 -1.26 -4.72 135.00 128.07 1wg5 s PRO 24 Ca 0.59 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 1wg5 s PRO 24 Cb -0.32 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1wg5 s PRO 24 CO 0.40 -2.96 1.42 -0.06 0.04 0.00 0.00 177.00 175.84 1wg5 s PHE 25 N -2.97 3.01 0.00 0.56 0.08 -1.26 -2.26 117.98 115.14 1wg5 s PHE 25 Ca 0.66 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.55 1wg5 s PHE 25 Cb -0.17 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 1wg5 s PHE 25 CO 0.57 -2.55 0.00 0.41 -0.10 0.00 0.00 175.22 173.55 1wg5 n GLY 26 N 3.60 0.58 3.68 4.36 0.00 -1.26 -4.99 105.19 111.17 1wg5 n GLY 26 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 2.99 1.29 0.30 0.00 0.01 -1.26 -5.02 113.70 112.02 1wg5 s SER 28 Ca 0.84 -1.66 0.04 0.00 1.31 0.00 0.00 55.95 56.48 1wg5 s SER 28 Cb -0.53 0.52 0.66 0.00 0.21 0.00 0.00 66.02 66.88 1wg5 s SER 28 CO 0.40 -1.02 1.83 0.11 0.41 0.00 0.00 173.24 174.98 1wg5 h LYS 29 N 2.25 0.85 -0.81 12.44 1.57 -1.98 0.83 116.57 131.73 1wg5 h LYS 29 Ca -0.28 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1wg5 h LYS 29 Cb 1.24 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.30 1wg5 h LYS 29 CO 0.40 0.56 0.54 0.93 -0.57 0.00 0.00 179.45 181.31 1wg5 h GLU 30 N 0.88 0.41 0.00 3.15 5.08 -1.97 0.33 114.58 122.46 1wg5 h GLU 30 Ca 0.51 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.63 1wg5 h GLU 30 Cb 0.65 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1wg5 h GLU 30 CO -0.28 0.27 -1.38 0.93 -1.00 0.00 0.00 179.01 177.55 1wg5 h GLU 31 N 0.42 0.00 0.30 2.33 4.39 -1.29 -3.37 114.58 117.36 1wg5 h GLU 31 Ca 0.40 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1wg5 h GLU 31 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1wg5 h GLU 31 CO -0.14 0.46 -0.14 0.82 -1.16 0.00 0.00 179.01 178.85 1wg5 h ILE 32 N 0.00 0.00 -0.79 3.13 2.04 0.46 -2.00 117.51 120.35 1wg5 h ILE 32 Ca -0.17 -0.65 0.15 0.00 1.00 0.00 0.00 64.86 65.18 1wg5 h ILE 32 Cb 1.74 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.67 1wg5 h ILE 32 CO 0.07 0.00 -0.22 0.52 0.00 0.00 0.00 178.15 178.52 1wg5 n VAL 33 N -4.88 -0.35 -0.07 1.67 0.31 0.96 0.11 118.33 116.08 1wg5 n VAL 33 Ca -0.05 1.82 -0.14 0.00 -0.01 0.00 0.00 64.34 65.96 1wg5 n VAL 33 Cb 0.16 -2.50 -0.06 0.00 -0.91 0.00 0.00 33.84 30.53 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 0.60 -0.62 5.55 1.08 -1.72 -2.98 115.11 117.03 1wg5 h GLN 34 Ca 0.36 -0.35 0.18 0.00 -1.45 0.00 0.00 58.65 57.39 1wg5 h GLN 34 Cb 0.56 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1wg5 h GLN 34 CO -0.81 0.95 0.65 0.35 -0.95 0.00 0.00 178.83 179.02 1wg5 h PHE 35 N 0.30 0.00 -0.84 2.96 3.57 0.15 0.58 116.94 123.66 1wg5 h PHE 35 Ca 0.03 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 61.01 1wg5 h PHE 35 Cb 0.88 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.34 1wg5 h PHE 35 CO 0.08 0.00 0.38 1.19 -2.23 0.00 0.00 178.31 177.74 1wg5 n PHE 36 N -3.66 2.70 -1.52 0.41 3.72 -0.49 -5.03 117.46 113.60 1wg5 n PHE 36 Ca 0.12 -2.32 -0.43 0.00 -0.05 0.00 0.00 57.45 54.77 1wg5 n PHE 36 Cb 0.87 -0.97 -0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.99 0.17 0.00 4.37 3.41 0.20 -1.30 113.62 119.48 1wg5 n SER 37 Ca 0.54 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 60.19 1wg5 n SER 37 Cb 1.06 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.52 2.75 3.89 5.00 0.00 -1.26 -5.01 105.19 112.08 1wg5 n GLY 38 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 4.06 -0.28 0.99 1.43 -0.42 -5.08 118.68 119.38 1wg5 s LEU 39 Ca 0.00 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 53.86 1wg5 s LEU 39 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1wg5 s LEU 39 CO 0.00 -0.19 0.07 -0.70 0.23 0.00 0.00 176.35 175.76 1wg5 s GLU 40 N -3.38 3.18 0.18 1.70 2.12 -1.26 -5.01 118.70 116.23 1wg5 s GLU 40 Ca 0.46 -0.79 0.07 0.00 0.36 0.00 0.00 54.97 55.06 1wg5 s GLU 40 Cb -0.11 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1wg5 s GLU 40 CO 0.28 -0.39 0.05 0.42 -0.54 0.00 0.00 175.26 175.08 1wg5 s ILE 41 N 1.51 3.98 0.43 -3.70 1.01 -1.26 -2.33 121.20 120.83 1wg5 s ILE 41 Ca 0.03 -1.36 -0.21 0.00 0.00 0.00 0.00 60.65 59.11 1wg5 s ILE 41 Cb -0.17 -3.03 -0.11 0.00 0.01 0.00 0.00 42.46 39.17 1wg5 s ILE 41 CO 0.02 -0.14 0.96 0.68 0.00 0.00 0.00 174.94 176.46 1wg5 s VAL 42 N -1.81 4.32 0.05 2.92 -7.23 -1.13 -4.79 120.40 112.73 1wg5 s VAL 42 Ca 0.29 1.47 -0.31 0.00 -1.81 0.00 0.00 61.98 61.62 1wg5 s VAL 42 Cb -0.09 -3.60 -0.07 0.00 0.56 0.00 0.00 36.38 33.18 1wg5 s VAL 42 CO 0.20 -0.29 1.41 -2.16 -0.31 0.00 0.00 175.10 173.95 1wg5 s PRO 43 N -3.14 4.29 -1.07 4.82 0.04 -1.26 -2.66 135.00 136.03 1wg5 s PRO 43 Ca 0.62 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1wg5 s PRO 43 Cb -0.10 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wg5 s PRO 43 CO 0.14 -0.53 0.00 0.09 0.04 0.00 0.00 177.00 176.74 1wg5 n ASN 44 N 4.86 -3.94 -2.03 6.66 4.13 -1.26 -4.92 115.26 118.77 1wg5 n ASN 44 Ca 0.13 0.05 -0.24 0.00 1.68 0.00 0.00 54.58 56.19 1wg5 n ASN 44 Cb 0.43 -3.02 0.13 0.00 -1.54 0.00 0.00 39.78 35.78 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 -1.11 5.32 3.06 7.41 0.00 -1.09 -4.94 105.19 113.84 1wg5 n GLY 45 Ca -0.14 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.52 1.55 -0.13 1.61 -1.94 -1.26 -0.34 119.30 115.27 1wg5 s MET 46 Ca 0.57 -0.45 0.03 0.00 -1.71 0.00 0.00 55.69 54.12 1wg5 s MET 46 Cb 0.47 -1.33 0.01 0.00 2.01 0.00 0.00 34.83 35.98 1wg5 s MET 46 CO 0.03 0.12 -0.22 0.99 -0.01 0.00 0.00 175.02 175.94 1wg5 s THR 47 N 0.33 2.09 -0.38 2.05 2.01 0.69 -4.97 115.64 117.47 1wg5 s THR 47 Ca -0.08 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 60.95 1wg5 s THR 47 Cb -0.12 -1.83 0.12 0.00 0.01 0.00 0.00 72.50 70.68 1wg5 s THR 47 CO 0.02 0.55 0.18 -0.76 -0.69 0.00 0.00 174.62 173.92 1wg5 s LEU 48 N 0.68 2.32 1.13 4.42 1.43 -1.26 -0.68 118.68 126.71 1wg5 s LEU 48 Ca -0.10 -2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 50.66 1wg5 s LEU 48 Cb -0.16 -0.89 0.25 0.00 0.03 0.00 0.00 46.19 45.42 1wg5 s LEU 48 CO 0.01 -0.33 1.10 -2.16 0.23 0.00 0.00 176.35 175.20 1wg5 s PRO 49 N 0.95 -0.63 0.37 1.29 0.04 -1.26 -4.99 135.00 130.78 1wg5 s PRO 49 Ca 0.14 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1wg5 s PRO 49 Cb -0.21 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1wg5 s PRO 49 CO -0.10 -3.36 0.55 0.14 0.04 0.00 0.00 177.00 174.27 1wg5 s VAL 50 N -2.99 0.00 0.16 -0.36 -7.23 -1.26 -3.42 120.40 105.29 1wg5 s VAL 50 Ca 0.69 -1.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 1wg5 s VAL 50 Cb -0.13 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1wg5 s VAL 50 CO 0.57 0.00 0.23 -0.90 -0.31 0.00 0.00 175.10 174.68 1wg5 n ASP 51 N -1.58 0.60 0.00 4.85 5.68 -0.90 -4.85 116.55 120.35 1wg5 n ASP 51 Ca -0.01 -1.44 0.02 0.00 -0.50 0.00 0.00 54.79 52.87 1wg5 n ASP 51 Cb 0.61 -0.12 0.10 0.00 -1.14 0.00 0.00 41.12 40.57 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 -1.36 0.00 0.55 2.11 7.35 -1.26 -0.66 117.46 124.19 1wg5 n PHE 52 Ca 0.05 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.83 1wg5 n PHE 52 Cb 0.17 -0.45 -0.12 0.00 0.35 0.00 0.00 39.48 39.43 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 -1.45 0.81 -0.48 -4.13 6.02 -1.26 -4.98 117.38 111.91 1wg5 n GLN 53 Ca 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1wg5 n GLN 53 Cb 0.05 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 1.43 0.75 3.80 1.08 0.00 0.16 -5.06 105.19 107.36 1wg5 n GLY 54 Ca 0.01 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.57 4.17 0.16 1.61 0.52 -1.26 -4.73 118.95 118.86 1wg5 s ARG 55 Ca 0.00 0.66 -0.34 0.00 -0.52 0.00 0.00 55.73 55.54 1wg5 s ARG 55 Cb 0.00 -3.26 -0.15 0.00 0.52 0.00 0.00 34.95 32.06 1wg5 s ARG 55 CO 0.00 0.58 1.38 -1.13 0.02 0.00 0.00 175.30 176.15 1wg5 n SER 56 N 1.99 2.22 -0.77 0.23 3.41 -1.26 -2.13 113.62 117.30 1wg5 n SER 56 Ca -0.10 1.12 0.01 0.00 -0.26 0.00 0.00 58.87 59.64 1wg5 n SER 56 Cb 0.51 -1.31 0.08 0.00 -0.26 0.00 0.00 64.21 63.23 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 2.36 0.55 -1.07 6.66 -2.24 -1.22 -4.82 114.28 114.51 1wg5 n THR 57 Ca 0.16 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1wg5 n THR 57 Cb 0.26 -0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.13 0.34 3.23 3.38 0.00 -1.26 -4.92 105.19 106.09 1wg5 n GLY 58 Ca 0.06 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.78 1.55 0.02 1.61 2.02 -1.26 -1.59 118.70 119.27 1wg5 s GLU 59 Ca 0.00 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 54.03 1wg5 s GLU 59 Cb 0.00 -1.56 0.02 0.00 0.10 0.00 0.00 34.13 32.69 1wg5 s GLU 59 CO 0.00 0.42 0.33 0.00 0.02 0.00 0.00 175.26 176.03 1wg5 s ALA 60 N -0.61 -0.78 -0.12 5.21 0.00 -1.17 -4.17 121.76 120.12 1wg5 s ALA 60 Ca 0.08 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1wg5 s ALA 60 Cb -0.08 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1wg5 s ALA 60 CO 0.00 -0.37 -0.13 -0.06 0.00 0.00 0.00 175.76 175.20 1wg5 s PHE 61 N -2.13 1.93 -0.04 0.00 0.08 0.14 -0.73 117.98 117.24 1wg5 s PHE 61 Ca -0.08 -0.97 0.04 0.00 0.12 0.00 0.00 56.93 56.04 1wg5 s PHE 61 Cb -0.02 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1wg5 s PHE 61 CO -0.00 -0.54 -0.13 0.08 -0.10 0.00 0.00 175.22 174.53 1wg5 s VAL 62 N 1.25 3.18 -0.32 -0.44 1.01 -0.40 -0.22 120.40 124.46 1wg5 s VAL 62 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1wg5 s VAL 62 Cb -0.14 -2.28 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1wg5 s VAL 62 CO -0.05 0.54 0.04 -1.58 0.00 0.00 0.00 175.10 174.04 1wg5 s GLN 63 N -0.90 2.27 0.68 2.72 0.74 0.54 -0.51 119.66 125.20 1wg5 s GLN 63 Ca 0.13 -1.42 -0.11 0.00 0.05 0.00 0.00 55.36 54.01 1wg5 s GLN 63 Cb -0.11 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.76 1wg5 s GLN 63 CO 0.02 -0.73 1.06 -0.06 -0.55 0.00 0.00 175.29 175.03 1wg5 s PHE 64 N 1.20 3.25 0.46 1.67 0.08 0.23 -2.82 117.98 122.05 1wg5 s PHE 64 Ca -0.02 1.33 0.19 0.00 0.12 0.00 0.00 56.93 58.55 1wg5 s PHE 64 Cb -0.20 -2.87 1.16 0.00 -0.57 0.00 0.00 43.02 40.54 1wg5 s PHE 64 CO -0.02 -1.12 1.94 0.00 -0.10 0.00 0.00 175.22 175.92 1wg5 h ALA 65 N -0.63 2.24 -2.73 5.36 0.00 -1.71 -3.41 119.26 118.38 1wg5 h ALA 65 Ca -0.44 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1wg5 h ALA 65 Cb 1.21 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1wg5 h ALA 65 CO 0.59 -0.43 0.32 0.45 0.00 0.00 0.00 179.25 180.19 1wg5 s SER 66 N -6.03 -0.37 0.16 0.00 0.15 -1.23 -4.94 113.70 101.44 1wg5 s SER 66 Ca -0.07 -0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.17 1wg5 s SER 66 Cb 0.21 0.57 0.07 0.00 -1.71 0.00 0.00 66.02 65.16 1wg5 s SER 66 CO 0.76 -1.00 1.73 -0.61 1.20 0.00 0.00 173.24 175.32 1wg5 h GLN 67 N 2.00 0.21 -1.02 5.44 4.15 -1.83 -1.49 115.11 122.56 1wg5 h GLN 67 Ca -0.26 -0.01 0.29 0.00 0.77 0.00 0.00 58.65 59.44 1wg5 h GLN 67 Cb 1.26 -0.05 -0.13 0.00 0.21 0.00 0.00 27.48 28.78 1wg5 h GLN 67 CO 0.30 0.14 0.61 1.05 -1.93 0.00 0.00 178.83 178.99 1wg5 h GLU 68 N 0.21 0.41 -0.01 1.69 4.11 -1.97 0.56 114.58 119.58 1wg5 h GLU 68 Ca 0.17 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.37 1wg5 h GLU 68 Cb 0.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1wg5 h GLU 68 CO -0.21 0.27 -0.86 0.82 0.07 0.00 0.00 179.01 179.10 1wg5 h ILE 69 N 0.42 1.45 0.18 -1.06 2.04 -1.70 -3.28 117.51 115.57 1wg5 h ILE 69 Ca 0.69 -2.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 1wg5 h ILE 69 Cb 1.53 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1wg5 h ILE 69 CO -0.51 0.73 -0.09 0.00 0.00 0.00 0.00 178.15 178.28 1wg5 h ALA 70 N 0.92 -0.25 -0.94 1.87 0.00 0.79 -2.79 119.26 118.86 1wg5 h ALA 70 Ca -0.05 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 54.99 1wg5 h ALA 70 Cb 1.48 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 1wg5 h ALA 70 CO 0.14 -0.59 0.49 0.93 0.00 0.00 0.00 179.25 180.22 1wg5 h GLU 71 N -0.34 0.50 -0.30 0.00 5.08 -1.29 0.54 114.58 118.78 1wg5 h GLU 71 Ca -0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1wg5 h GLU 71 Cb 0.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1wg5 h GLU 71 CO 0.04 0.33 0.14 0.87 -1.00 0.00 0.00 179.01 179.39 1wg5 h LYS 72 N 0.52 0.40 0.00 2.33 1.57 -1.56 -1.54 116.57 118.29 1wg5 h LYS 72 Ca 0.59 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.26 1wg5 h LYS 72 Cb 1.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1wg5 h LYS 72 CO -0.48 0.32 -0.52 0.00 -0.57 0.00 0.00 179.45 178.20 1wg5 h ALA 73 N 1.74 0.75 -0.69 3.86 0.00 0.15 -3.30 119.26 121.77 1wg5 h ALA 73 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1wg5 h ALA 73 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1wg5 h ALA 73 CO -0.01 0.38 0.33 -0.07 0.00 0.00 0.00 179.25 179.88 1wg5 h LEU 74 N 0.00 0.88 -2.71 0.00 3.38 0.10 -1.27 115.31 115.70 1wg5 h LEU 74 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1wg5 h LEU 74 Cb 1.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1wg5 h LEU 74 CO 0.03 0.75 0.00 0.11 0.09 0.00 0.00 178.44 179.42 1wg5 h LYS 75 N 0.98 0.00 -1.59 1.13 1.79 -1.62 -2.53 116.57 114.73 1wg5 h LYS 75 Ca 0.24 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.61 1wg5 h LYS 75 Cb 0.10 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1wg5 h LYS 75 CO -0.03 0.00 0.13 1.63 -1.08 0.00 0.00 179.45 180.10 1wg5 n LYS 76 N -2.99 1.25 -2.67 3.15 5.02 -0.48 -4.91 118.16 116.53 1wg5 n LYS 76 Ca -0.03 -0.52 -0.34 0.00 -2.02 0.00 0.00 58.31 55.41 1wg5 n LYS 76 Cb 0.09 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.60 3.17 0.00 2.13 2.46 -0.96 -3.19 115.29 118.30 1wg5 s HIS 77 Ca 0.10 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.23 1wg5 s HIS 77 Cb 0.08 -2.97 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 1wg5 s HIS 77 CO 0.00 -0.48 0.00 1.63 -2.47 0.00 0.00 174.74 173.43 1wg5 n LYS 78 N -0.73 -0.48 -1.97 2.88 4.76 0.53 -4.92 118.16 118.22 1wg5 n LYS 78 Ca 0.08 0.12 -0.43 0.00 -2.87 0.00 0.00 58.31 55.21 1wg5 n LYS 78 Cb 0.53 -3.99 -0.03 0.00 -1.84 0.00 0.00 35.03 29.71 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 -0.89 3.67 0.29 1.97 0.41 -0.95 -3.64 118.70 119.56 1wg5 s GLU 79 Ca 0.00 1.79 -0.25 0.00 -0.41 0.00 0.00 54.97 56.10 1wg5 s GLU 79 Cb 0.00 -4.12 -0.09 0.00 -1.78 0.00 0.00 34.13 28.13 1wg5 s GLU 79 CO 0.00 -1.46 0.89 -0.98 -0.49 0.00 0.00 175.26 173.22 1wg5 s ARG 80 N 5.04 4.51 -0.61 1.61 1.04 -1.26 -1.28 118.95 128.01 1wg5 s ARG 80 Ca 0.79 1.22 0.01 0.00 -1.04 0.00 0.00 55.73 56.70 1wg5 s ARG 80 Cb -0.28 -2.84 0.15 0.00 -2.04 0.00 0.00 34.95 29.94 1wg5 s ARG 80 CO 0.32 0.32 0.39 0.42 -0.04 0.00 0.00 175.30 176.71 1wg5 s ILE 81 N -1.57 3.22 0.00 4.99 1.01 -0.93 -4.81 121.20 123.11 1wg5 s ILE 81 Ca 0.48 -3.29 0.00 0.00 0.00 0.00 0.00 60.65 57.84 1wg5 s ILE 81 Cb -0.18 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1wg5 s ILE 81 CO 0.23 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.91 1wg5 n GLY 82 N 3.12 2.66 1.55 6.18 0.00 -1.26 -4.29 105.19 113.15 1wg5 n GLY 82 Ca 0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.06 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.67 1wg5 n HIS 83 Ca 0.00 -0.06 0.04 0.00 -2.01 0.00 0.00 57.72 55.69 1wg5 n HIS 83 Cb 0.00 0.59 -0.01 0.00 0.12 0.00 0.00 29.99 30.69 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 0.55 0.42 -1.40 1.81 -1.26 -5.06 118.95 114.01 1wg5 s ARG 84 Ca 0.00 0.92 -0.25 0.00 -1.72 0.00 0.00 55.73 54.69 1wg5 s ARG 84 Cb 0.01 0.50 -0.10 0.00 -0.45 0.00 0.00 34.95 34.91 1wg5 s ARG 84 CO -0.00 -0.65 1.05 0.66 -0.68 0.00 0.00 175.30 175.67 1wg5 n TYR 85 N 5.43 1.33 -4.88 -0.53 4.01 -1.26 -2.20 117.16 119.05 1wg5 n TYR 85 Ca -0.00 0.55 -0.33 0.00 -0.16 0.00 0.00 57.90 57.96 1wg5 n TYR 85 Cb 0.52 -2.25 -0.15 0.00 -0.31 0.00 0.00 39.34 37.14 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 -1.26 2.63 -0.35 -0.72 -1.09 -0.40 -4.62 121.20 115.39 1wg5 s ILE 86 Ca 0.63 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 58.12 1wg5 s ILE 86 Cb -0.55 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 1wg5 s ILE 86 CO 0.57 0.54 0.22 -1.61 -1.23 0.00 0.00 174.94 173.42 1wg5 s GLU 87 N 0.44 3.19 -0.11 2.79 2.02 0.53 0.20 118.70 127.75 1wg5 s GLU 87 Ca -0.13 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 53.92 1wg5 s GLU 87 Cb -0.17 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 1wg5 s GLU 87 CO 0.06 -0.55 0.22 0.42 0.02 0.00 0.00 175.26 175.43 1wg5 s ILE 88 N 1.64 5.35 -0.07 -1.63 1.01 -1.26 0.17 121.20 126.42 1wg5 s ILE 88 Ca 0.04 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1wg5 s ILE 88 Cb -0.18 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1wg5 s ILE 88 CO 0.08 0.54 0.13 -0.36 0.00 0.00 0.00 174.94 175.33 1wg5 s PHE 89 N -0.54 -0.10 0.23 3.97 0.08 0.10 -4.92 117.98 116.79 1wg5 s PHE 89 Ca 0.16 0.50 -0.27 0.00 0.12 0.00 0.00 56.93 57.44 1wg5 s PHE 89 Cb -0.13 -0.32 -0.17 0.00 -0.57 0.00 0.00 43.02 41.83 1wg5 s PHE 89 CO 0.05 -0.24 0.49 1.17 -0.10 0.00 0.00 175.22 176.58 1wg5 n LYS 90 N 5.28 0.04 -3.02 0.44 0.00 -1.26 -0.64 118.16 119.01 1wg5 n LYS 90 Ca -0.05 0.01 -0.09 0.00 0.00 0.00 0.00 58.31 58.19 1wg5 n LYS 90 Cb 0.50 -1.03 -0.02 0.00 0.00 0.00 0.00 35.03 34.48 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 2.01 -0.72 -4.11 3.14 2.88 -0.37 -4.63 113.62 111.82 1wg5 n SER 91 Ca 0.17 -2.12 -0.08 0.00 -1.33 0.00 0.00 58.87 55.51 1wg5 n SER 91 Cb 0.27 1.38 -0.10 0.00 -0.75 0.00 0.00 64.21 65.01 1wg5 n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg5 s SER 92 N -2.27 0.49 0.22 -3.46 0.15 -1.26 -3.64 113.70 103.93 1wg5 s SER 92 Ca 0.18 -1.06 -0.08 0.00 0.70 0.00 0.00 55.95 55.69 1wg5 s SER 92 Cb -0.00 0.22 0.29 0.00 -1.71 0.00 0.00 66.02 64.81 1wg5 s SER 92 CO 0.13 -0.63 1.81 -0.09 1.20 0.00 0.00 173.24 175.66 1wg5 h ARG 93 N 3.06 0.71 -0.68 5.44 2.43 -1.95 -1.97 114.38 121.41 1wg5 h ARG 93 Ca -0.34 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 58.88 1wg5 h ARG 93 Cb 1.16 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.47 1wg5 h ARG 93 CO 0.64 0.47 0.30 0.00 -1.51 0.00 0.00 179.97 179.87 1wg5 h ALA 94 N 1.38 0.93 -0.02 2.80 0.00 -2.01 -2.67 119.26 119.66 1wg5 h ALA 94 Ca 0.33 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1wg5 h ALA 94 Cb 0.23 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1wg5 h ALA 94 CO -0.20 -0.12 -0.54 0.93 0.00 0.00 0.00 179.25 179.32 1wg5 h GLU 95 N 0.51 -0.64 -5.25 0.00 4.39 -1.77 -3.38 114.58 108.44 1wg5 h GLU 95 Ca 0.34 0.04 -0.49 0.00 0.34 0.00 0.00 59.36 59.60 1wg5 h GLU 95 Cb 0.41 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 1wg5 h GLU 95 CO -0.30 -0.42 1.71 0.28 -1.16 0.00 0.00 179.01 179.11 1wg5 n VAL 96 N -5.46 -0.03 -1.32 3.13 0.31 -1.01 -4.84 118.33 109.11 1wg5 n VAL 96 Ca -0.07 -0.31 -0.37 0.00 -0.01 0.00 0.00 64.34 63.58 1wg5 n VAL 96 Cb 0.39 -1.38 0.06 0.00 -0.91 0.00 0.00 33.84 32.00 1wg5 n VAL 96 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1wg5 n ARG 97 N 8.68 0.35 -0.87 5.55 0.00 -1.26 -4.94 116.66 124.17 1wg5 n ARG 97 Ca 0.55 0.15 0.03 0.00 -0.00 0.00 0.00 57.85 58.58 1wg5 n ARG 97 Cb 0.23 -1.75 0.04 0.00 -0.00 0.00 0.00 32.46 30.98 1wg5 n ARG 97 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1wg5 n THR 98 N -2.15 0.42 -0.09 8.89 -2.24 -1.26 -4.87 114.28 112.98 1wg5 n THR 98 Ca 0.10 -0.96 -0.14 0.00 -2.27 0.00 0.00 64.05 60.78 1wg5 n THR 98 Cb 0.49 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 1wg5 n THR 98 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wg5 n SER 99 N -0.06 1.86 0.00 3.42 2.88 -1.26 -5.08 113.62 115.39 1wg5 n SER 99 Ca 0.06 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1wg5 n SER 99 Cb 0.87 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.49 -1.78 0.21 0.46 0.00 -1.26 -4.49 105.19 99.82 1wg5 n GLY 100 Ca -0.22 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 0.71 -7.09 1.61 0.13 -2.01 -3.45 132.00 121.90 1wg5 h PRO 101 Ca 0.00 -0.38 -0.45 0.00 -0.87 0.00 0.00 66.00 64.31 1wg5 h PRO 101 Cb 0.00 0.01 0.06 0.00 0.13 0.00 0.00 31.00 31.21 1wg5 h PRO 101 CO 0.00 0.99 0.11 -1.12 -0.23 0.00 0.00 178.00 177.75 1wg5 s SER 102 N -6.56 5.01 -0.26 1.44 0.01 -1.26 -5.08 113.70 107.00 1wg5 s SER 102 Ca -0.12 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.36 1wg5 s SER 102 Cb 0.09 -0.99 0.03 0.00 0.21 0.00 0.00 66.02 65.35 1wg5 s SER 102 CO 0.83 -1.40 -0.04 -0.55 0.41 0.00 0.00 173.24 172.49 1wg5 s SER 103 N -4.48 4.44 0.00 2.44 0.15 -1.26 -4.92 113.70 110.07 1wg5 s SER 103 Ca 0.59 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1wg5 s SER 103 Cb -0.11 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1wg5 s SER 103 CO 0.42 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.33