#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 -0.80 0.06 1.61 0.15 -1.26 -5.18 113.70 108.29 1wg5 s SER 2 Ca 0.00 1.36 -0.27 0.00 0.70 0.00 0.00 55.95 57.74 1wg5 s SER 2 Cb 0.00 1.35 0.09 0.00 -1.71 0.00 0.00 66.02 65.75 1wg5 s SER 2 CO 0.00 -0.22 0.98 -0.94 1.20 0.00 0.00 173.24 174.26 1wg5 s SER 3 N 1.11 -0.23 0.00 5.45 1.04 -1.26 -5.19 113.70 114.62 1wg5 s SER 3 Ca -0.06 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1wg5 s SER 3 Cb -0.05 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1wg5 s SER 3 CO -0.12 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1wg5 n GLY 4 N -0.37 0.03 3.02 7.32 0.00 -1.26 -5.16 105.19 108.77 1wg5 n GLY 4 Ca -0.07 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 0.05 0.20 1.61 0.15 -1.26 -5.17 113.70 109.28 1wg5 s SER 5 Ca 0.00 -0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1wg5 s SER 5 Cb 0.00 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1wg5 s SER 5 CO 0.00 -0.24 0.20 -0.44 1.20 0.00 0.00 173.24 173.97 1wg5 s SER 6 N -0.93 0.11 0.00 5.45 0.01 -1.26 -5.13 113.70 111.95 1wg5 s SER 6 Ca -0.10 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1wg5 s SER 6 Cb -0.06 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1wg5 s SER 6 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1wg5 n GLY 7 N -0.26 -1.77 3.53 3.44 0.00 -1.26 -5.17 105.19 103.69 1wg5 n GLY 7 Ca -0.00 0.97 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 4.11 -0.24 1.61 -0.87 -1.26 -5.13 114.94 113.17 1wg5 s ASN 8 Ca 0.00 -0.47 -0.27 0.00 -1.57 0.00 0.00 52.86 50.55 1wg5 s ASN 8 Cb 0.00 -0.68 0.13 0.00 -0.02 0.00 0.00 41.25 40.68 1wg5 s ASN 8 CO 0.00 0.18 1.05 -0.94 -2.57 0.00 0.00 177.10 174.83 1wg5 s SER 9 N -2.12 -0.38 0.11 -1.22 1.04 -1.26 -5.15 113.70 104.73 1wg5 s SER 9 Ca 0.19 0.62 -0.31 0.00 0.48 0.00 0.00 55.95 56.93 1wg5 s SER 9 Cb -0.11 0.59 -0.08 0.00 0.10 0.00 0.00 66.02 66.52 1wg5 s SER 9 CO 0.11 -0.21 1.36 -2.16 0.98 0.00 0.00 173.24 173.32 1wg5 s PRO 10 N -0.33 4.34 0.00 4.02 0.04 -1.26 -4.88 135.00 136.94 1wg5 s PRO 10 Ca 0.02 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1wg5 s PRO 10 Cb -0.03 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1wg5 s PRO 10 CO -0.04 -0.40 0.00 -3.47 0.04 0.00 0.00 177.00 173.13 1wg5 n ASP 11 N 3.87 0.00 -1.52 6.66 2.03 -1.26 -5.03 116.55 121.30 1wg5 n ASP 11 Ca 0.11 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.37 1wg5 n ASP 11 Cb 0.43 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1wg5 n ASP 11 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1wg5 n THR 12 N 0.00 0.01 -2.94 5.18 5.66 -1.26 -5.07 114.28 115.85 1wg5 n THR 12 Ca 0.00 -0.34 -0.03 0.00 -3.05 0.00 0.00 64.05 60.63 1wg5 n THR 12 Cb 0.00 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wg5 n ALA 13 N -0.45 -2.86 -2.38 1.79 0.00 -1.26 -4.90 120.51 110.46 1wg5 n ALA 13 Ca -0.24 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1wg5 n ALA 13 Cb 0.76 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.48 7.27 -0.01 0.00 0.01 -1.26 -4.91 114.94 114.56 1wg5 s ASN 14 Ca 0.04 1.91 0.02 0.00 -0.71 0.00 0.00 52.86 54.12 1wg5 s ASN 14 Cb -0.01 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 1wg5 s ASN 14 CO 0.51 -0.29 0.03 0.47 -1.51 0.00 0.00 177.10 176.31 1wg5 n ASP 15 N 3.34 4.49 0.00 -1.22 9.92 -1.26 -4.66 116.55 127.16 1wg5 n ASP 15 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1wg5 n ASP 15 Cb 0.48 0.83 0.00 0.00 -0.64 0.00 0.00 41.12 41.79 1wg5 n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wg5 n GLY 16 N 2.62 1.39 3.74 0.44 0.00 -1.26 -3.58 105.19 108.53 1wg5 n GLY 16 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 3.91 0.05 1.61 0.08 -1.25 -1.59 117.98 118.79 1wg5 s PHE 17 Ca 0.00 1.87 0.04 0.00 0.12 0.00 0.00 56.93 58.96 1wg5 s PHE 17 Cb 0.00 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 1wg5 s PHE 17 CO 0.00 0.32 -0.13 0.14 -0.10 0.00 0.00 175.22 175.45 1wg5 s VAL 18 N -0.80 0.98 -0.11 -0.44 -7.23 0.36 -0.19 120.40 112.97 1wg5 s VAL 18 Ca 0.43 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1wg5 s VAL 18 Cb -0.26 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1wg5 s VAL 18 CO 0.32 -0.14 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.26 1wg5 s ARG 19 N -1.38 3.19 0.02 4.82 3.52 0.06 -1.20 118.95 127.98 1wg5 s ARG 19 Ca -0.02 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1wg5 s ARG 19 Cb -0.09 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1wg5 s ARG 19 CO 0.01 0.36 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.30 1wg5 s LEU 20 N -0.00 3.28 -0.03 -0.88 1.43 0.61 0.19 118.68 123.27 1wg5 s LEU 20 Ca -0.03 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1wg5 s LEU 20 Cb -0.14 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1wg5 s LEU 20 CO 0.04 0.26 0.04 -0.13 0.23 0.00 0.00 176.35 176.80 1wg5 s ARG 21 N -1.59 -0.06 0.00 1.70 0.52 0.12 -2.73 118.95 116.92 1wg5 s ARG 21 Ca 0.19 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 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 0.10 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1wg5 n GLY 22 N 4.74 1.57 3.77 -3.53 0.00 0.03 -0.16 105.19 111.60 1wg5 n GLY 22 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 4.17 0.89 0.99 1.43 -1.12 -4.45 118.68 120.59 1wg5 s LEU 23 Ca 0.00 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 1wg5 s LEU 23 Cb 0.00 -4.01 0.12 0.00 0.03 0.00 0.00 46.19 42.34 1wg5 s LEU 23 CO 0.00 -0.79 1.09 -2.16 0.23 0.00 0.00 176.35 174.72 1wg5 s PRO 24 N -2.33 1.32 -0.38 1.29 0.04 -1.26 -4.72 135.00 128.97 1wg5 s PRO 24 Ca 0.58 0.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.18 1wg5 s PRO 24 Cb -0.34 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1wg5 s PRO 24 CO 0.42 -2.20 1.89 0.12 0.04 0.00 0.00 177.00 177.27 1wg5 s PHE 25 N -2.93 1.68 0.00 0.56 5.36 -1.26 -1.82 117.98 119.57 1wg5 s PHE 25 Ca 0.63 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1wg5 s PHE 25 Cb -0.18 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.43 1wg5 s PHE 25 CO 0.57 -2.92 0.00 0.41 -1.46 0.00 0.00 175.22 171.82 1wg5 n GLY 26 N 5.53 1.18 3.72 13.12 0.00 -1.26 -5.07 105.19 122.41 1wg5 n GLY 26 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 1.30 0.68 0.29 0.00 0.01 -1.26 -5.03 113.70 109.69 1wg5 s SER 28 Ca 0.74 -1.40 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1wg5 s SER 28 Cb -0.47 0.57 0.55 0.00 0.21 0.00 0.00 66.02 66.87 1wg5 s SER 28 CO 0.32 -1.12 1.87 0.11 0.41 0.00 0.00 173.24 174.82 1wg5 h LYS 29 N 2.26 0.98 -0.75 12.44 1.57 -1.98 0.16 116.57 131.26 1wg5 h LYS 29 Ca -0.29 -0.06 0.19 0.00 -1.87 0.00 0.00 60.65 58.62 1wg5 h LYS 29 Cb 1.24 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1wg5 h LYS 29 CO 0.41 0.65 0.52 0.93 -0.57 0.00 0.00 179.45 181.39 1wg5 h GLU 30 N 1.01 0.16 0.10 3.15 4.39 -1.98 0.14 114.58 121.55 1wg5 h GLU 30 Ca 0.46 -0.01 -0.35 0.00 0.34 0.00 0.00 59.36 59.80 1wg5 h GLU 30 Cb 0.39 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1wg5 h GLU 30 CO -0.21 0.10 -1.91 0.93 -1.16 0.00 0.00 179.01 176.76 1wg5 h GLU 31 N 0.16 0.20 0.61 2.33 5.08 -1.42 -3.38 114.58 118.16 1wg5 h GLU 31 Ca 0.36 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1wg5 h GLU 31 Cb 1.20 0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.58 1wg5 h GLU 31 CO -0.06 1.03 -0.29 0.82 -1.00 0.00 0.00 179.01 179.51 1wg5 h ILE 32 N 0.06 0.00 -0.72 3.13 2.04 0.02 0.03 117.51 122.06 1wg5 h ILE 32 Ca -0.38 -0.14 0.28 0.00 1.00 0.00 0.00 64.86 65.61 1wg5 h ILE 32 Cb 2.03 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.98 1wg5 h ILE 32 CO 0.09 0.00 0.30 0.52 0.00 0.00 0.00 178.15 179.06 1wg5 n VAL 33 N -4.60 -0.30 0.11 1.67 0.31 0.38 0.19 118.33 116.09 1wg5 n VAL 33 Ca -0.10 1.50 -0.23 0.00 -0.01 0.00 0.00 64.34 65.50 1wg5 n VAL 33 Cb 0.32 -2.37 -0.15 0.00 -0.91 0.00 0.00 33.84 30.73 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 0.44 -0.07 5.55 1.08 -1.71 -3.25 115.11 117.15 1wg5 h GLN 34 Ca 0.57 -0.75 0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1wg5 h GLN 34 Cb 1.44 0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 29.15 1wg5 h GLN 34 CO -0.59 1.36 0.38 0.35 -0.95 0.00 0.00 178.83 179.38 1wg5 h PHE 35 N -0.08 0.00 -0.67 2.96 3.57 0.42 0.40 116.94 123.53 1wg5 h PHE 35 Ca -0.21 0.00 -0.40 0.00 3.53 0.00 0.00 57.97 60.90 1wg5 h PHE 35 Cb 1.94 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 40.45 1wg5 h PHE 35 CO 0.16 0.00 0.16 1.19 -2.23 0.00 0.00 178.31 177.59 1wg5 n PHE 36 N -3.00 2.15 -1.48 0.41 3.72 -0.50 -5.04 117.46 113.71 1wg5 n PHE 36 Ca -0.00 -2.00 -0.44 0.00 -0.05 0.00 0.00 57.45 54.96 1wg5 n PHE 36 Cb 0.44 -0.75 -0.01 0.00 -0.94 0.00 0.00 39.48 38.23 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 -0.42 0.00 4.37 3.41 0.14 -0.96 113.62 119.11 1wg5 n SER 37 Ca 0.46 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 60.09 1wg5 n SER 37 Cb 1.11 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.69 2.89 3.90 5.00 0.00 -1.26 -5.00 105.19 112.41 1wg5 n GLY 38 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 4.22 -0.24 0.99 1.43 -0.14 -5.08 118.68 119.86 1wg5 s LEU 39 Ca 0.00 0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 53.65 1wg5 s LEU 39 Cb 0.00 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 1wg5 s LEU 39 CO 0.00 -0.01 0.03 -0.70 0.23 0.00 0.00 176.35 175.90 1wg5 s GLU 40 N -2.89 3.57 0.12 1.70 2.12 -1.26 -5.00 118.70 117.05 1wg5 s GLU 40 Ca 0.42 -0.52 0.08 0.00 0.36 0.00 0.00 54.97 55.31 1wg5 s GLU 40 Cb -0.12 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1wg5 s GLU 40 CO 0.26 -0.18 -0.14 0.42 -0.54 0.00 0.00 175.26 175.07 1wg5 s ILE 41 N 1.55 3.10 0.47 -3.70 1.01 -1.26 -2.07 121.20 120.29 1wg5 s ILE 41 Ca 0.06 -1.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.07 1wg5 s ILE 41 Cb -0.15 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.80 1wg5 s ILE 41 CO 0.01 0.08 1.08 0.68 0.00 0.00 0.00 174.94 176.79 1wg5 s VAL 42 N -1.24 3.57 -0.04 2.92 -7.23 -1.11 -4.82 120.40 112.45 1wg5 s VAL 42 Ca 0.20 1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 61.14 1wg5 s VAL 42 Cb -0.11 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 1wg5 s VAL 42 CO 0.12 -0.13 1.48 -2.16 -0.31 0.00 0.00 175.10 174.11 1wg5 s PRO 43 N -2.96 4.23 -0.20 4.82 0.04 -1.26 -2.45 135.00 137.22 1wg5 s PRO 43 Ca 0.65 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1wg5 s PRO 43 Cb -0.21 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1wg5 s PRO 43 CO 0.25 -0.70 0.00 -1.71 0.04 0.00 0.00 177.00 174.88 1wg5 n ASN 44 N 6.21 -2.75 -2.22 6.66 2.85 -1.26 -4.94 115.26 119.81 1wg5 n ASN 44 Ca 0.15 0.04 -0.29 0.00 -0.11 0.00 0.00 54.58 54.36 1wg5 n ASN 44 Cb 0.43 -0.92 0.12 0.00 1.24 0.00 0.00 39.78 40.66 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg5 n GLY 45 N -2.26 5.34 3.13 8.20 0.00 -1.03 -4.93 105.19 113.64 1wg5 n GLY 45 Ca -0.02 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.59 1.32 -0.07 1.61 -1.94 -1.26 -0.05 119.30 115.31 1wg5 s MET 46 Ca 0.60 -0.56 0.02 0.00 -1.71 0.00 0.00 55.69 54.04 1wg5 s MET 46 Cb 0.49 -1.26 0.02 0.00 2.01 0.00 0.00 34.83 36.09 1wg5 s MET 46 CO 0.04 0.32 -0.11 0.99 -0.01 0.00 0.00 175.02 176.25 1wg5 s THR 47 N -0.31 1.10 -0.37 2.05 2.01 0.53 -4.98 115.64 115.66 1wg5 s THR 47 Ca 0.05 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1wg5 s THR 47 Cb -0.07 -1.03 0.12 0.00 0.01 0.00 0.00 72.50 71.54 1wg5 s THR 47 CO -0.00 0.35 0.18 -0.76 -0.69 0.00 0.00 174.62 173.70 1wg5 s LEU 48 N 0.85 2.14 1.13 4.42 1.43 -1.26 -0.63 118.68 126.75 1wg5 s LEU 48 Ca -0.11 -2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 50.69 1wg5 s LEU 48 Cb -0.15 -0.83 0.25 0.00 0.03 0.00 0.00 46.19 45.49 1wg5 s LEU 48 CO 0.02 -0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.20 1wg5 s PRO 49 N 1.01 -0.63 0.32 1.29 0.04 -1.26 -5.01 135.00 130.75 1wg5 s PRO 49 Ca 0.14 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1wg5 s PRO 49 Cb -0.21 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.10 -3.37 0.46 0.14 0.04 0.00 0.00 177.00 174.17 1wg5 s VAL 50 N -2.99 0.00 0.54 -0.36 -7.23 -1.26 -3.66 120.40 105.44 1wg5 s VAL 50 Ca 0.69 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1wg5 s VAL 50 Cb -0.13 -2.56 0.11 0.00 0.56 0.00 0.00 36.38 34.36 1wg5 s VAL 50 CO 0.57 0.00 0.74 -0.67 -0.31 0.00 0.00 175.10 175.43 1wg5 n ASP 51 N -1.16 0.74 0.29 4.85 2.03 0.48 -4.82 116.55 118.96 1wg5 n ASP 51 Ca 0.00 -1.68 0.20 0.00 0.52 0.00 0.00 54.79 53.83 1wg5 n ASP 51 Cb 0.62 -0.51 1.01 0.00 -0.72 0.00 0.00 41.12 41.52 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1wg5 h PHE 52 N -0.77 0.00 0.00 -0.67 3.57 -2.03 0.22 116.94 117.27 1wg5 h PHE 52 Ca -0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1wg5 h PHE 52 Cb 0.84 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1wg5 h PHE 52 CO 0.00 0.00 -1.04 1.04 -2.23 0.00 0.00 178.31 176.08 1wg5 n GLN 53 N -2.89 0.33 -0.12 1.11 6.02 -1.26 -4.96 117.38 115.60 1wg5 n GLN 53 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1wg5 n GLN 53 Cb 0.10 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.75 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 1.35 0.93 3.89 1.08 0.00 0.07 -5.09 105.19 107.42 1wg5 n GLY 54 Ca 0.02 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1wg5 n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wg5 s ARG 55 N -0.46 3.67 0.19 1.61 1.70 -1.26 -4.71 118.95 119.69 1wg5 s ARG 55 Ca 0.00 0.02 -0.32 0.00 -0.47 0.00 0.00 55.73 54.96 1wg5 s ARG 55 Cb 0.00 -2.75 -0.11 0.00 -0.57 0.00 0.00 34.95 31.52 1wg5 s ARG 55 CO 0.00 0.37 1.67 -1.54 -1.08 0.00 0.00 175.30 174.73 1wg5 s SER 56 N -2.58 6.45 -0.01 -2.89 1.04 -1.26 -0.38 113.70 114.06 1wg5 s SER 56 Ca 0.43 2.78 0.05 0.00 0.48 0.00 0.00 55.95 59.69 1wg5 s SER 56 Cb -0.11 -2.60 0.16 0.00 0.10 0.00 0.00 66.02 63.57 1wg5 s SER 56 CO 0.25 -0.92 1.05 0.35 0.98 0.00 0.00 173.24 174.95 1wg5 n THR 57 N 4.00 0.31 -1.26 2.02 -2.24 -1.24 -4.84 114.28 111.04 1wg5 n THR 57 Ca 0.15 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1wg5 n THR 57 Cb 0.36 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.64 1.04 3.17 3.38 0.00 -1.26 -4.90 105.19 107.25 1wg5 n GLY 58 Ca 0.06 -0.35 -0.20 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 -2.56 0.93 -0.09 1.61 2.02 -1.26 -0.79 118.70 118.55 1wg5 s GLU 59 Ca 0.00 -0.87 -0.27 0.00 0.02 0.00 0.00 54.97 53.85 1wg5 s GLU 59 Cb 0.00 -0.96 0.06 0.00 0.10 0.00 0.00 34.13 33.33 1wg5 s GLU 59 CO 0.00 0.23 0.63 0.00 0.02 0.00 0.00 175.26 176.14 1wg5 s ALA 60 N -1.03 -1.61 -0.09 5.21 0.00 -1.11 -4.14 121.76 118.99 1wg5 s ALA 60 Ca 0.01 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.33 1wg5 s ALA 60 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1wg5 s ALA 60 CO 0.02 -0.34 -0.20 -0.06 0.00 0.00 0.00 175.76 175.17 1wg5 s PHE 61 N -0.82 2.59 0.04 0.00 0.08 0.19 -0.28 117.98 119.78 1wg5 s PHE 61 Ca -0.09 -0.72 0.09 0.00 0.12 0.00 0.00 56.93 56.33 1wg5 s PHE 61 Cb -0.02 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1wg5 s PHE 61 CO 0.07 -0.22 -0.26 0.08 -0.10 0.00 0.00 175.22 174.79 1wg5 s VAL 62 N 0.03 2.09 -0.32 -0.44 1.01 -0.34 -0.35 120.40 122.08 1wg5 s VAL 62 Ca -0.08 -1.35 -0.00 0.00 0.00 0.00 0.00 61.98 60.56 1wg5 s VAL 62 Cb -0.15 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.52 1wg5 s VAL 62 CO 0.05 0.37 0.02 -1.58 0.00 0.00 0.00 175.10 173.96 1wg5 s GLN 63 N -1.17 2.18 0.63 2.72 0.74 0.92 -0.48 119.66 125.20 1wg5 s GLN 63 Ca 0.11 -1.46 -0.12 0.00 0.05 0.00 0.00 55.36 53.94 1wg5 s GLN 63 Cb -0.10 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 1wg5 s GLN 63 CO 0.02 -0.73 1.04 -0.06 -0.55 0.00 0.00 175.29 175.00 1wg5 s PHE 64 N 1.15 3.36 0.44 1.67 0.08 -0.62 -2.75 117.98 121.30 1wg5 s PHE 64 Ca -0.01 1.38 0.19 0.00 0.12 0.00 0.00 56.93 58.61 1wg5 s PHE 64 Cb -0.20 -2.82 1.14 0.00 -0.57 0.00 0.00 43.02 40.57 1wg5 s PHE 64 CO -0.03 -0.88 1.88 0.00 -0.10 0.00 0.00 175.22 176.09 1wg5 h ALA 65 N -0.20 2.28 -2.86 5.36 0.00 -1.65 -3.41 119.26 118.79 1wg5 h ALA 65 Ca -0.45 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1wg5 h ALA 65 Cb 1.20 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1wg5 h ALA 65 CO 0.60 -0.53 0.28 0.45 0.00 0.00 0.00 179.25 180.04 1wg5 s SER 66 N -5.74 -0.33 0.18 0.00 0.15 -1.24 -4.95 113.70 101.78 1wg5 s SER 66 Ca -0.08 -0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.06 1wg5 s SER 66 Cb 0.22 0.64 0.12 0.00 -1.71 0.00 0.00 66.02 65.30 1wg5 s SER 66 CO 0.77 -1.15 1.82 -0.61 1.20 0.00 0.00 173.24 175.28 1wg5 h GLN 67 N 2.00 0.62 -1.00 5.44 -0.00 -1.83 -1.78 115.11 118.56 1wg5 h GLN 67 Ca -0.24 -0.04 0.22 0.00 -0.00 0.00 0.00 58.65 58.60 1wg5 h GLN 67 Cb 1.26 -0.14 -0.10 0.00 0.00 0.00 0.00 27.48 28.50 1wg5 h GLN 67 CO 0.28 0.41 0.63 1.05 0.00 0.00 0.00 178.83 181.19 1wg5 h GLU 68 N 0.64 0.54 0.00 1.69 4.11 -1.96 0.42 114.58 120.02 1wg5 h GLU 68 Ca 0.23 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.50 1wg5 h GLU 68 Cb 0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1wg5 h GLU 68 CO -0.11 0.36 -0.60 0.82 0.07 0.00 0.00 179.01 179.55 1wg5 h ILE 69 N 0.56 1.08 -0.30 -1.06 2.04 -1.75 -3.28 117.51 114.80 1wg5 h ILE 69 Ca 0.58 -2.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.00 1wg5 h ILE 69 Cb 1.19 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.69 1wg5 h ILE 69 CO -0.33 0.59 -0.06 0.00 0.00 0.00 0.00 178.15 178.34 1wg5 h ALA 70 N 1.40 0.42 -0.76 1.87 0.00 0.54 -3.04 119.26 119.68 1wg5 h ALA 70 Ca -0.01 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1wg5 h ALA 70 Cb 1.38 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1wg5 h ALA 70 CO 0.08 0.23 0.47 0.93 0.00 0.00 0.00 179.25 180.95 1wg5 h GLU 71 N 0.35 0.86 -0.76 0.00 5.08 -1.36 -0.44 114.58 118.31 1wg5 h GLU 71 Ca 0.08 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1wg5 h GLU 71 Cb 0.53 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1wg5 h GLU 71 CO 0.03 0.57 0.50 0.87 -1.00 0.00 0.00 179.01 179.98 1wg5 h LYS 72 N 0.89 0.75 0.00 2.33 1.57 -1.60 -1.09 116.57 119.43 1wg5 h LYS 72 Ca 0.32 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 1wg5 h LYS 72 Cb 0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1wg5 h LYS 72 CO -0.14 0.50 -0.86 0.00 -0.57 0.00 0.00 179.45 178.37 1wg5 h ALA 73 N 1.60 0.52 -0.94 3.86 0.00 -1.17 -3.27 119.26 119.85 1wg5 h ALA 73 Ca 0.33 -0.78 0.13 0.00 0.00 0.00 0.00 54.91 54.59 1wg5 h ALA 73 Cb 0.30 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1wg5 h ALA 73 CO -0.12 1.07 0.60 -0.07 0.00 0.00 0.00 179.25 180.74 1wg5 h LEU 74 N 0.00 0.79 -1.55 0.00 3.38 0.23 0.35 115.31 118.50 1wg5 h LEU 74 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wg5 h LEU 74 Cb 1.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1wg5 h LEU 74 CO 0.11 0.41 0.00 0.11 0.09 0.00 0.00 178.44 179.16 1wg5 h LYS 75 N 0.84 0.00 -1.23 1.13 1.79 -1.58 -2.25 116.57 115.28 1wg5 h LYS 75 Ca 0.47 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.72 1wg5 h LYS 75 Cb 0.60 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.13 1wg5 h LYS 75 CO -0.23 0.00 0.28 1.63 -1.08 0.00 0.00 179.45 180.04 1wg5 n LYS 76 N -2.37 1.53 -2.59 3.15 5.02 0.12 -4.93 118.16 118.09 1wg5 n LYS 76 Ca -0.01 -1.17 -0.35 0.00 -2.02 0.00 0.00 58.31 54.76 1wg5 n LYS 76 Cb 0.06 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.31 3.12 0.00 2.13 2.46 -0.85 -3.10 115.29 117.74 1wg5 s HIS 77 Ca 0.23 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.36 1wg5 s HIS 77 Cb 0.18 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.59 1wg5 s HIS 77 CO 0.02 -0.65 0.00 1.63 -2.47 0.00 0.00 174.74 173.27 1wg5 n LYS 78 N -0.67 -1.03 -2.16 2.88 4.76 0.47 -4.92 118.16 117.50 1wg5 n LYS 78 Ca 0.08 0.26 -0.43 0.00 -2.87 0.00 0.00 58.31 55.35 1wg5 n LYS 78 Cb 0.52 -4.26 -0.02 0.00 -1.84 0.00 0.00 35.03 29.42 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 -1.21 3.72 0.31 1.97 0.41 -0.87 -3.84 118.70 119.18 1wg5 s GLU 79 Ca 0.00 1.50 -0.26 0.00 -0.41 0.00 0.00 54.97 55.81 1wg5 s GLU 79 Cb 0.00 -4.04 -0.10 0.00 -1.78 0.00 0.00 34.13 28.21 1wg5 s GLU 79 CO 0.00 -1.39 0.92 -0.98 -0.49 0.00 0.00 175.26 173.32 1wg5 s ARG 80 N 4.79 4.56 -0.60 1.61 1.04 -1.26 -1.37 118.95 127.72 1wg5 s ARG 80 Ca 0.70 1.29 0.01 0.00 -1.04 0.00 0.00 55.73 56.69 1wg5 s ARG 80 Cb -0.22 -2.84 0.15 0.00 -2.04 0.00 0.00 34.95 30.00 1wg5 s ARG 80 CO 0.29 0.31 0.38 0.42 -0.04 0.00 0.00 175.30 176.66 1wg5 s ILE 81 N -1.58 3.12 0.00 4.99 1.01 -0.92 -4.82 121.20 123.00 1wg5 s ILE 81 Ca 0.49 -3.34 0.00 0.00 0.00 0.00 0.00 60.65 57.79 1wg5 s ILE 81 Cb -0.19 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1wg5 s ILE 81 CO 0.24 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.92 1wg5 n GLY 82 N 3.06 2.58 2.04 6.18 0.00 -1.26 -4.31 105.19 113.48 1wg5 n GLY 82 Ca 0.09 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.27 -3.15 1.61 1.44 -1.26 -5.12 115.22 108.47 1wg5 n HIS 83 Ca 0.00 -0.39 0.05 0.00 -2.01 0.00 0.00 57.72 55.37 1wg5 n HIS 83 Cb 0.00 0.86 -0.01 0.00 0.12 0.00 0.00 29.99 30.96 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 0.02 0.43 0.37 -1.40 1.81 -1.26 -5.03 118.95 113.88 1wg5 s ARG 84 Ca 0.02 0.73 -0.27 0.00 -1.72 0.00 0.00 55.73 54.49 1wg5 s ARG 84 Cb 0.05 0.40 -0.12 0.00 -0.45 0.00 0.00 34.95 34.84 1wg5 s ARG 84 CO -0.01 -0.49 1.26 0.66 -0.68 0.00 0.00 175.30 176.04 1wg5 n TYR 85 N 5.44 2.15 -4.42 -0.53 4.01 -1.26 -2.16 117.16 120.38 1wg5 n TYR 85 Ca -0.03 0.54 -0.34 0.00 -0.16 0.00 0.00 57.90 57.92 1wg5 n TYR 85 Cb 0.52 -2.39 -0.15 0.00 -0.31 0.00 0.00 39.34 37.02 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 -1.13 2.91 -0.37 -0.72 -1.09 -0.47 -4.57 121.20 115.76 1wg5 s ILE 86 Ca 0.57 -0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 58.17 1wg5 s ILE 86 Cb -0.55 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1wg5 s ILE 86 CO 0.61 0.50 0.31 -1.61 -1.23 0.00 0.00 174.94 173.52 1wg5 s GLU 87 N 0.86 3.29 -0.15 2.79 8.01 0.78 0.18 118.70 134.46 1wg5 s GLU 87 Ca -0.04 -0.73 -0.09 0.00 0.01 0.00 0.00 54.97 54.12 1wg5 s GLU 87 Cb -0.15 -3.88 -0.04 0.00 -4.31 0.00 0.00 34.13 25.74 1wg5 s GLU 87 CO -0.00 -0.61 0.15 0.42 0.01 0.00 0.00 175.26 175.23 1wg5 s ILE 88 N 1.82 5.45 -0.09 -1.63 1.01 -1.26 0.16 121.20 126.67 1wg5 s ILE 88 Ca 0.08 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 1wg5 s ILE 88 Cb -0.18 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 38.90 1wg5 s ILE 88 CO 0.11 0.55 0.14 -0.36 0.00 0.00 0.00 174.94 175.38 1wg5 s PHE 89 N -0.49 -0.13 0.11 3.97 0.08 0.13 -4.88 117.98 116.77 1wg5 s PHE 89 Ca 0.13 0.48 -0.33 0.00 0.12 0.00 0.00 56.93 57.32 1wg5 s PHE 89 Cb -0.12 -0.33 -0.18 0.00 -0.57 0.00 0.00 43.02 41.82 1wg5 s PHE 89 CO 0.02 -0.29 0.77 1.17 -0.10 0.00 0.00 175.22 176.79 1wg5 n LYS 90 N 5.32 0.01 -2.80 0.44 0.00 -1.26 -0.76 118.16 119.10 1wg5 n LYS 90 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.20 1wg5 n LYS 90 Cb 0.50 -1.23 -0.03 0.00 0.00 0.00 0.00 35.03 34.27 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 1.77 -0.30 -4.10 3.14 2.88 0.73 -4.68 113.62 113.06 1wg5 n SER 91 Ca 0.19 -1.81 -0.08 0.00 -1.33 0.00 0.00 58.87 55.83 1wg5 n SER 91 Cb 0.17 0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 64.21 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 -1.87 0.62 0.36 -3.46 0.15 -1.26 -3.74 113.70 104.50 1wg5 s SER 92 Ca 0.15 -0.97 0.06 0.00 0.70 0.00 0.00 55.95 55.89 1wg5 s SER 92 Cb 0.01 0.17 0.69 0.00 -1.71 0.00 0.00 66.02 65.17 1wg5 s SER 92 CO 0.10 -0.55 1.92 -0.09 1.20 0.00 0.00 173.24 175.83 1wg5 h ARG 93 N 3.22 0.49 0.00 5.44 9.65 -1.93 -1.00 114.38 130.24 1wg5 h ARG 93 Ca -0.34 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 1wg5 h ARG 93 Cb 1.15 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1wg5 h ARG 93 CO 0.64 0.48 -0.10 0.00 2.80 0.00 0.00 179.97 183.79 1wg5 h ALA 94 N 1.58 0.99 0.08 2.80 0.00 -1.97 -3.23 119.26 119.50 1wg5 h ALA 94 Ca 0.11 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1wg5 h ALA 94 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wg5 h ALA 94 CO 0.00 0.13 -1.11 0.93 0.00 0.00 0.00 179.25 179.20 1wg5 h GLU 95 N 0.00 0.17 -6.29 0.00 4.39 -1.70 -3.45 114.58 107.70 1wg5 h GLU 95 Ca -0.00 -0.28 -0.57 0.00 0.34 0.00 0.00 59.36 58.85 1wg5 h GLU 95 Cb 0.72 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 1wg5 h GLU 95 CO 0.01 1.14 1.03 0.54 -1.16 0.00 0.00 179.01 180.56 1wg5 s VAL 96 N -2.41 3.96 1.00 3.13 0.11 -0.48 -4.97 120.40 120.74 1wg5 s VAL 96 Ca -0.21 1.10 -0.20 0.00 -2.93 0.00 0.00 61.98 59.75 1wg5 s VAL 96 Cb 0.03 -3.93 -0.14 0.00 -1.53 0.00 0.00 36.38 30.81 1wg5 s VAL 96 CO 0.73 -0.34 -0.91 0.54 -3.33 0.00 0.00 175.10 171.79 1wg5 n ARG 97 N 7.33 -0.07 -0.07 1.54 1.74 -1.26 -4.88 116.66 120.99 1wg5 n ARG 97 Ca 0.16 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 57.07 1wg5 n ARG 97 Cb 0.46 -1.08 -0.05 0.00 -1.02 0.00 0.00 32.46 30.77 1wg5 n ARG 97 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wg5 n THR 98 N -2.90 0.81 -2.61 0.55 -2.24 -1.26 -5.07 114.28 101.56 1wg5 n THR 98 Ca -0.01 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1wg5 n THR 98 Cb 0.61 -1.70 0.01 0.00 -2.10 0.00 0.00 70.33 67.15 1wg5 n THR 98 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wg5 n SER 99 N -3.66 -4.36 -3.64 3.42 7.64 -1.26 -4.98 113.62 106.79 1wg5 n SER 99 Ca -0.28 0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.58 1wg5 n SER 99 Cb 0.69 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 1wg5 n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wg5 s GLY 100 N -0.87 -0.28 0.01 0.23 0.00 -1.26 -5.14 107.32 100.02 1wg5 s GLY 100 Ca 0.13 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 1wg5 s GLY 100 CO 0.29 -0.18 1.44 2.56 0.00 0.00 0.00 173.10 177.22 1wg5 s PRO 101 N -3.35 4.27 0.51 2.90 0.04 -1.26 -4.69 135.00 133.41 1wg5 s PRO 101 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1wg5 s PRO 101 Cb 0.01 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wg5 s PRO 101 CO -0.09 -0.60 0.00 0.45 0.04 0.00 0.00 177.00 176.80 1wg5 n SER 102 N 5.39 -9.19 -3.60 6.66 2.88 -1.26 -5.09 113.62 109.41 1wg5 n SER 102 Ca 0.14 1.33 -0.05 0.00 -1.33 0.00 0.00 58.87 58.96 1wg5 n SER 102 Cb 0.43 -5.13 -0.03 0.00 -0.75 0.00 0.00 64.21 58.73 1wg5 n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg5 s SER 103 N -3.08 -0.15 0.00 -3.46 0.01 -1.26 -5.16 113.70 100.61 1wg5 s SER 103 Ca 0.00 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1wg5 s SER 103 Cb 0.00 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1wg5 s SER 103 CO 0.00 -0.20 0.31 0.61 0.41 0.00 0.00 173.24 174.37