#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 -6.75 -2.73 1.61 3.41 -1.26 -4.96 113.62 102.94 1wg5 n SER 2 Ca 0.00 0.62 -0.04 0.00 -0.26 0.00 0.00 58.87 59.19 1wg5 n SER 2 Cb 0.00 -2.04 0.07 0.00 -0.26 0.00 0.00 64.21 61.98 1wg5 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wg5 n SER 3 N 1.44 0.41 0.23 4.04 7.64 -1.26 -4.96 113.62 121.16 1wg5 n SER 3 Ca -0.01 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.53 1wg5 n SER 3 Cb 0.37 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.61 -1.74 2.67 0.23 0.00 -1.26 -5.12 105.19 99.35 1wg5 n GLY 4 Ca 0.01 0.35 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 1wg5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg5 n SER 5 N -3.42 -6.51 -0.88 1.61 2.88 -1.26 -4.84 113.62 101.21 1wg5 n SER 5 Ca 0.00 1.40 0.11 0.00 -1.33 0.00 0.00 58.87 59.05 1wg5 n SER 5 Cb 0.00 -5.26 -0.03 0.00 -0.75 0.00 0.00 64.21 58.16 1wg5 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wg5 n SER 6 N 0.88 -4.95 0.00 -3.46 3.41 -1.26 -5.03 113.62 103.20 1wg5 n SER 6 Ca -0.08 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1wg5 n SER 6 Cb 0.12 -2.85 0.00 0.00 -0.26 0.00 0.00 64.21 61.22 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 -2.78 2.92 2.73 5.00 0.00 -1.26 -5.07 105.19 106.73 1wg5 n GLY 7 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1wg5 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wg5 n ASN 8 N 0.00 3.74 -0.27 1.61 3.02 -1.26 -4.95 115.26 117.16 1wg5 n ASN 8 Ca 0.00 -3.53 -0.11 0.00 -0.03 0.00 0.00 54.58 50.92 1wg5 n ASN 8 Cb 0.00 -0.59 -0.09 0.00 -0.61 0.00 0.00 39.78 38.49 1wg5 n ASN 8 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1wg5 h SER 9 N 3.21 -1.80 -3.93 6.41 0.02 -2.03 -3.40 113.55 112.03 1wg5 h SER 9 Ca 0.14 0.26 -0.51 0.00 -0.84 0.00 0.00 61.79 60.83 1wg5 h SER 9 Cb 0.60 0.78 0.05 0.00 0.14 0.00 0.00 62.40 63.97 1wg5 h SER 9 CO 0.77 -0.27 0.53 -2.16 -1.14 0.00 0.00 176.83 174.56 1wg5 s PRO 10 N -5.26 4.12 0.08 3.45 0.04 -1.26 -5.03 135.00 131.13 1wg5 s PRO 10 Ca -0.11 1.92 -0.27 0.00 0.04 0.00 0.00 61.00 62.58 1wg5 s PRO 10 Cb 0.09 -2.77 0.08 0.00 0.04 0.00 0.00 34.50 31.94 1wg5 s PRO 10 CO 0.54 -0.29 0.94 -0.51 0.04 0.00 0.00 177.00 177.72 1wg5 s ASP 11 N -0.99 -0.26 -0.64 6.66 1.01 -1.26 -5.04 116.67 116.15 1wg5 s ASP 11 Ca 0.55 -0.21 -0.02 0.00 0.71 0.00 0.00 52.55 53.58 1wg5 s ASP 11 Cb -0.33 0.43 0.41 0.00 1.01 0.00 0.00 42.92 44.44 1wg5 s ASP 11 CO 0.42 -0.76 2.05 1.07 0.21 0.00 0.00 175.17 178.16 1wg5 n THR 12 N -0.37 3.53 -2.70 -1.27 5.66 -1.26 -4.32 114.28 113.54 1wg5 n THR 12 Ca -0.07 -2.90 -0.05 0.00 -3.05 0.00 0.00 64.05 57.98 1wg5 n THR 12 Cb 0.61 -1.20 0.10 0.00 -1.55 0.00 0.00 70.33 68.30 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 -0.70 2.31 -1.89 1.79 0.00 -1.26 -5.11 120.51 115.65 1wg5 n ALA 13 Ca 0.58 -1.69 -0.42 0.00 0.00 0.00 0.00 53.44 51.90 1wg5 n ALA 13 Cb 0.61 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.84 6.58 -0.05 0.00 0.01 -1.26 -4.84 114.94 113.53 1wg5 s ASN 14 Ca 0.19 2.37 0.06 0.00 -0.71 0.00 0.00 52.86 54.77 1wg5 s ASN 14 Cb 0.41 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 39.46 1wg5 s ASN 14 CO -0.07 -0.99 0.05 0.47 -1.51 0.00 0.00 177.10 175.05 1wg5 n ASP 15 N 7.34 3.46 0.00 -1.22 8.00 -1.26 -4.64 116.55 128.23 1wg5 n ASP 15 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1wg5 n ASP 15 Cb 0.42 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.31 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 2.51 1.26 3.78 0.44 0.00 -1.26 -3.86 105.19 108.07 1wg5 n GLY 16 Ca -0.08 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 3.01 0.02 1.61 0.08 -1.23 -1.87 117.98 117.60 1wg5 s PHE 17 Ca 0.00 1.58 -0.02 0.00 0.12 0.00 0.00 56.93 58.61 1wg5 s PHE 17 Cb 0.00 -3.21 -0.01 0.00 -0.57 0.00 0.00 43.02 39.22 1wg5 s PHE 17 CO 0.00 -1.07 0.02 0.14 -0.10 0.00 0.00 175.22 174.21 1wg5 s VAL 18 N -1.70 0.10 -0.09 -0.44 -7.23 0.13 -0.77 120.40 110.39 1wg5 s VAL 18 Ca 0.63 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.95 1wg5 s VAL 18 Cb -0.23 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.34 1wg5 s VAL 18 CO 0.28 -0.48 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.86 1wg5 s ARG 19 N -1.51 2.99 -0.06 4.82 3.52 0.80 -1.00 118.95 128.52 1wg5 s ARG 19 Ca -0.15 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1wg5 s ARG 19 Cb -0.09 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 1wg5 s ARG 19 CO -0.00 0.39 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.29 1wg5 s LEU 20 N -0.13 3.10 -0.06 -0.88 1.43 0.63 0.13 118.68 122.91 1wg5 s LEU 20 Ca -0.01 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1wg5 s LEU 20 Cb -0.14 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1wg5 s LEU 20 CO 0.03 0.35 -0.02 -0.13 0.23 0.00 0.00 176.35 176.81 1wg5 s ARG 21 N -0.87 0.75 0.00 1.70 0.52 0.13 -2.64 118.95 118.55 1wg5 s ARG 21 Ca 0.13 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 1wg5 s ARG 21 Cb -0.11 -0.93 0.00 0.00 0.52 0.00 0.00 34.95 34.43 1wg5 s ARG 21 CO 0.02 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.55 1wg5 n GLY 22 N 4.62 1.38 3.77 -3.53 0.00 -0.21 -0.06 105.19 111.15 1wg5 n GLY 22 Ca -0.16 0.00 -0.38 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 4.04 1.02 0.99 1.43 -0.68 -4.47 118.68 121.01 1wg5 s LEU 23 Ca 0.00 2.41 -0.13 0.00 -1.03 0.00 0.00 54.13 55.38 1wg5 s LEU 23 Cb 0.00 -4.18 0.20 0.00 0.03 0.00 0.00 46.19 42.24 1wg5 s LEU 23 CO 0.00 -0.96 1.09 -2.16 0.23 0.00 0.00 176.35 174.55 1wg5 s PRO 24 N -2.61 0.25 0.14 1.29 0.04 -1.26 -4.72 135.00 128.13 1wg5 s PRO 24 Ca 0.63 0.46 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 1wg5 s PRO 24 Cb -0.31 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1wg5 s PRO 24 CO 0.39 -2.84 1.57 -0.06 0.04 0.00 0.00 177.00 176.10 1wg5 s PHE 25 N -2.97 2.95 -0.71 0.56 0.08 -1.26 -1.94 117.98 114.70 1wg5 s PHE 25 Ca 0.66 0.60 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1wg5 s PHE 25 Cb -0.18 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.35 1wg5 s PHE 25 CO 0.58 -3.41 0.00 0.41 -0.10 0.00 0.00 175.22 172.70 1wg5 n GLY 26 N 3.78 0.89 3.71 4.36 0.00 -1.26 -4.96 105.19 111.70 1wg5 n GLY 26 Ca 0.14 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 1.84 0.22 0.25 0.00 0.01 -1.26 -5.02 113.70 109.74 1wg5 s SER 28 Ca 0.76 -1.25 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 1wg5 s SER 28 Cb -0.46 0.49 0.48 0.00 0.21 0.00 0.00 66.02 66.74 1wg5 s SER 28 CO 0.33 -1.00 1.67 0.11 0.41 0.00 0.00 173.24 174.76 1wg5 h LYS 29 N 2.41 0.23 -1.22 12.44 1.57 -1.98 0.22 116.57 130.25 1wg5 h LYS 29 Ca -0.31 -0.01 0.39 0.00 -1.87 0.00 0.00 60.65 58.84 1wg5 h LYS 29 Cb 1.25 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.38 1wg5 h LYS 29 CO 0.44 0.15 0.78 0.93 -0.57 0.00 0.00 179.45 181.18 1wg5 h GLU 30 N 0.23 0.17 0.08 3.15 4.39 -1.98 0.60 114.58 121.22 1wg5 h GLU 30 Ca 0.43 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.80 1wg5 h GLU 30 Cb 0.76 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1wg5 h GLU 30 CO -0.55 0.11 -1.71 0.93 -1.16 0.00 0.00 179.01 176.63 1wg5 h GLU 31 N 0.17 0.17 0.48 2.33 4.39 -1.01 -3.37 114.58 117.74 1wg5 h GLU 31 Ca 0.76 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 60.14 1wg5 h GLU 31 Cb 2.24 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 31.00 1wg5 h GLU 31 CO -0.41 0.95 -0.23 0.82 -1.16 0.00 0.00 179.01 178.98 1wg5 h ILE 32 N 0.05 0.00 -0.70 3.13 2.04 0.10 -0.73 117.51 121.41 1wg5 h ILE 32 Ca -0.30 -0.28 0.22 0.00 1.00 0.00 0.00 64.86 65.49 1wg5 h ILE 32 Cb 2.01 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.97 1wg5 h ILE 32 CO 0.11 0.00 0.10 0.52 0.00 0.00 0.00 178.15 178.89 1wg5 n VAL 33 N -4.51 -0.29 0.02 1.67 0.31 0.16 0.16 118.33 115.84 1wg5 n VAL 33 Ca -0.08 1.50 -0.18 0.00 -0.01 0.00 0.00 64.34 65.57 1wg5 n VAL 33 Cb 0.25 -2.25 -0.12 0.00 -0.91 0.00 0.00 33.84 30.81 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 0.39 -0.30 5.55 1.08 -1.71 -3.21 115.11 116.91 1wg5 h GLN 34 Ca 0.46 -0.47 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1wg5 h GLN 34 Cb 1.04 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1wg5 h GLN 34 CO -0.62 1.14 0.63 0.35 -0.95 0.00 0.00 178.83 179.38 1wg5 h PHE 35 N -0.16 0.00 -0.71 2.96 3.57 0.31 0.84 116.94 123.74 1wg5 h PHE 35 Ca -0.09 0.00 -0.44 0.00 3.53 0.00 0.00 57.97 60.97 1wg5 h PHE 35 Cb 1.41 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 39.89 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 -3.13 2.32 -1.46 0.41 3.72 -0.61 -5.04 117.46 113.67 1wg5 n PHE 36 Ca 0.05 -2.13 -0.42 0.00 -0.05 0.00 0.00 57.45 54.90 1wg5 n PHE 36 Cb 0.76 -0.80 0.01 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.00 -0.79 0.00 4.37 3.41 0.29 -1.12 113.62 118.78 1wg5 n SER 37 Ca 0.48 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 60.01 1wg5 n SER 37 Cb 1.05 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.76 2.79 3.90 5.00 0.00 -1.26 -4.99 105.19 112.39 1wg5 n GLY 38 Ca 0.11 0.00 -0.29 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 4.08 -0.26 0.99 1.43 -0.27 -5.08 118.68 119.57 1wg5 s LEU 39 Ca 0.00 0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 53.77 1wg5 s LEU 39 Cb 0.00 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 1wg5 s LEU 39 CO 0.00 -0.17 0.02 -0.70 0.23 0.00 0.00 176.35 175.73 1wg5 s GLU 40 N -3.43 3.28 0.15 1.70 2.12 -1.26 -5.01 118.70 116.25 1wg5 s GLU 40 Ca 0.44 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 55.12 1wg5 s GLU 40 Cb -0.11 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1wg5 s GLU 40 CO 0.29 -0.30 0.01 0.42 -0.54 0.00 0.00 175.26 175.13 1wg5 s ILE 41 N 1.50 3.85 0.52 -3.70 1.01 -1.26 -2.17 121.20 120.94 1wg5 s ILE 41 Ca 0.04 -1.29 -0.18 0.00 0.00 0.00 0.00 60.65 59.23 1wg5 s ILE 41 Cb -0.16 -2.91 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 1wg5 s ILE 41 CO 0.00 -0.05 1.00 0.68 0.00 0.00 0.00 174.94 176.57 1wg5 s VAL 42 N -1.62 4.25 0.18 2.92 -7.23 -1.12 -4.81 120.40 112.96 1wg5 s VAL 42 Ca 0.27 1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 61.30 1wg5 s VAL 42 Cb -0.10 -3.59 -0.08 0.00 0.56 0.00 0.00 36.38 33.17 1wg5 s VAL 42 CO 0.19 -0.53 1.31 -2.16 -0.31 0.00 0.00 175.10 173.60 1wg5 s PRO 43 N -3.83 4.38 -1.88 4.82 0.04 -1.26 -2.67 135.00 134.60 1wg5 s PRO 43 Ca 0.61 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1wg5 s PRO 43 Cb -0.12 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1wg5 s PRO 43 CO 0.28 -0.28 0.00 0.09 0.04 0.00 0.00 177.00 177.13 1wg5 n ASN 44 N 2.93 -5.33 -2.19 6.66 4.13 -1.26 -4.87 115.26 115.33 1wg5 n ASN 44 Ca 0.07 0.31 -0.27 0.00 1.68 0.00 0.00 54.58 56.38 1wg5 n ASN 44 Cb 0.43 -4.46 0.12 0.00 -1.54 0.00 0.00 39.78 34.33 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 -0.77 4.90 3.07 7.41 0.00 -1.09 -4.90 105.19 113.81 1wg5 n GLY 45 Ca -0.20 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.24 1.46 -0.09 1.61 -1.94 -1.26 -0.25 119.30 115.58 1wg5 s MET 46 Ca 0.56 -0.48 0.03 0.00 -1.71 0.00 0.00 55.69 54.09 1wg5 s MET 46 Cb 0.45 -1.29 0.01 0.00 2.01 0.00 0.00 34.83 36.00 1wg5 s MET 46 CO 0.05 0.18 -0.19 0.99 -0.01 0.00 0.00 175.02 176.03 1wg5 s THR 47 N 0.15 1.72 -0.37 2.05 2.01 0.34 -4.97 115.64 116.56 1wg5 s THR 47 Ca -0.04 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1wg5 s THR 47 Cb -0.11 -1.51 0.12 0.00 0.01 0.00 0.00 72.50 71.01 1wg5 s THR 47 CO 0.02 0.48 0.18 -0.76 -0.69 0.00 0.00 174.62 173.85 1wg5 s LEU 48 N 0.57 2.11 1.13 4.42 1.43 -1.26 -0.51 118.68 126.57 1wg5 s LEU 48 Ca -0.15 -2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 50.65 1wg5 s LEU 48 Cb -0.17 -0.82 0.25 0.00 0.03 0.00 0.00 46.19 45.48 1wg5 s LEU 48 CO 0.05 -0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.24 1wg5 s PRO 49 N 1.02 -0.66 0.16 1.29 0.04 -1.26 -4.96 135.00 130.63 1wg5 s PRO 49 Ca 0.15 0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.35 1wg5 s PRO 49 Cb -0.21 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 1wg5 s PRO 49 CO -0.10 -3.38 0.17 1.33 0.04 0.00 0.00 177.00 175.06 1wg5 n VAL 50 N -4.56 0.00 -1.85 -0.36 0.24 -1.26 -2.84 118.33 107.70 1wg5 n VAL 50 Ca 0.10 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 1wg5 n VAL 50 Cb 0.59 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 1wg5 n VAL 50 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wg5 n ASP 51 N -2.20 0.00 0.28 -1.34 8.00 0.87 -4.64 116.55 117.52 1wg5 n ASP 51 Ca 0.03 -0.93 0.18 0.00 0.71 0.00 0.00 54.79 54.78 1wg5 n ASP 51 Cb 0.29 0.00 0.80 0.00 -0.02 0.00 0.00 41.12 42.19 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 -0.50 0.00 0.00 1.24 0.04 -1.98 -2.73 116.94 113.02 1wg5 h PHE 52 Ca 0.00 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 1wg5 h PHE 52 Cb 0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 1wg5 h PHE 52 CO 0.00 0.00 -2.10 1.04 -0.60 0.00 0.00 178.31 176.65 1wg5 n GLN 53 N -3.02 0.67 0.00 1.51 1.13 -1.26 -4.50 117.38 111.90 1wg5 n GLN 53 Ca -0.00 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1wg5 n GLN 53 Cb 0.24 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1wg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wg5 n GLY 54 N 1.62 2.00 3.39 1.08 0.00 -1.03 -4.35 105.19 107.90 1wg5 n GLY 54 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.01 3.53 0.14 1.61 0.52 -1.26 -4.70 118.95 118.78 1wg5 s ARG 55 Ca 0.00 -0.55 -0.25 0.00 -0.52 0.00 0.00 55.73 54.41 1wg5 s ARG 55 Cb 0.00 -3.16 -0.15 0.00 0.52 0.00 0.00 34.95 32.17 1wg5 s ARG 55 CO 0.00 -0.16 0.51 0.43 0.02 0.00 0.00 175.30 176.10 1wg5 n SER 56 N 4.76 -0.87 -1.79 0.23 7.64 -1.26 -0.09 113.62 122.25 1wg5 n SER 56 Ca -0.17 0.95 -0.16 0.00 1.01 0.00 0.00 58.87 60.50 1wg5 n SER 56 Cb 0.51 -0.79 0.10 0.00 -1.01 0.00 0.00 64.21 63.03 1wg5 n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wg5 n THR 57 N 0.21 2.45 -1.17 0.44 -2.24 -1.13 -4.68 114.28 108.16 1wg5 n THR 57 Ca 0.15 -1.29 -0.09 0.00 -2.27 0.00 0.00 64.05 60.55 1wg5 n THR 57 Cb 0.18 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.44 0.89 3.32 3.38 0.00 -1.26 -4.87 105.19 106.21 1wg5 n GLY 58 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.59 1.25 -0.06 1.61 2.02 -1.26 -1.04 118.70 118.63 1wg5 s GLU 59 Ca 0.00 -1.37 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 1wg5 s GLU 59 Cb 0.00 -1.31 0.09 0.00 0.10 0.00 0.00 34.13 33.01 1wg5 s GLU 59 CO 0.00 0.27 0.78 0.00 0.02 0.00 0.00 175.26 176.33 1wg5 s ALA 60 N -1.97 -1.81 -0.18 5.21 0.00 -1.08 -4.11 121.76 117.83 1wg5 s ALA 60 Ca 0.14 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.43 1wg5 s ALA 60 Cb -0.06 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1wg5 s ALA 60 CO 0.06 -0.40 -0.17 -0.06 0.00 0.00 0.00 175.76 175.18 1wg5 s PHE 61 N -1.50 2.70 -0.08 0.00 0.08 0.33 -0.27 117.98 119.25 1wg5 s PHE 61 Ca -0.06 -1.64 -0.02 0.00 0.12 0.00 0.00 56.93 55.33 1wg5 s PHE 61 Cb -0.00 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1wg5 s PHE 61 CO 0.04 -0.79 -0.00 0.08 -0.10 0.00 0.00 175.22 174.46 1wg5 s VAL 62 N 1.31 4.28 -0.33 -0.44 1.01 -0.17 -0.51 120.40 125.56 1wg5 s VAL 62 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1wg5 s VAL 62 Cb -0.14 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.51 1wg5 s VAL 62 CO -0.11 0.59 0.06 -1.58 0.00 0.00 0.00 175.10 174.05 1wg5 s GLN 63 N -0.92 2.21 0.96 2.72 0.74 0.65 0.17 119.66 126.18 1wg5 s GLN 63 Ca 0.14 -1.48 -0.13 0.00 0.05 0.00 0.00 55.36 53.94 1wg5 s GLN 63 Cb -0.11 -3.29 0.17 0.00 1.10 0.00 0.00 33.01 30.88 1wg5 s GLN 63 CO 0.03 -0.78 1.12 -0.06 -0.55 0.00 0.00 175.29 175.06 1wg5 s PHE 64 N 1.18 2.26 0.35 1.67 0.08 -0.78 -2.81 117.98 119.93 1wg5 s PHE 64 Ca 0.00 0.86 0.05 0.00 0.12 0.00 0.00 56.93 57.97 1wg5 s PHE 64 Cb -0.21 -3.37 0.65 0.00 -0.57 0.00 0.00 43.02 39.53 1wg5 s PHE 64 CO -0.03 -2.64 1.89 0.00 -0.10 0.00 0.00 175.22 174.35 1wg5 h ALA 65 N -1.70 1.42 -2.90 5.36 0.00 -1.67 -3.42 119.26 116.35 1wg5 h ALA 65 Ca -0.52 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1wg5 h ALA 65 Cb 1.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1wg5 h ALA 65 CO 0.59 0.41 0.29 0.45 0.00 0.00 0.00 179.25 180.99 1wg5 s SER 66 N -6.76 -0.15 0.09 0.00 0.15 -1.25 -4.93 113.70 100.84 1wg5 s SER 66 Ca -0.07 -0.76 -0.21 0.00 0.70 0.00 0.00 55.95 55.61 1wg5 s SER 66 Cb 0.16 0.73 -0.11 0.00 -1.71 0.00 0.00 66.02 65.08 1wg5 s SER 66 CO 0.76 -1.39 1.68 -0.61 1.20 0.00 0.00 173.24 174.88 1wg5 h GLN 67 N 2.00 0.16 -0.88 5.44 -0.00 -1.82 -1.81 115.11 118.20 1wg5 h GLN 67 Ca -0.24 -0.02 0.22 0.00 -0.00 0.00 0.00 58.65 58.61 1wg5 h GLN 67 Cb 1.25 -0.03 -0.13 0.00 0.00 0.00 0.00 27.48 28.57 1wg5 h GLN 67 CO 0.29 0.20 0.34 1.05 0.00 0.00 0.00 178.83 180.71 1wg5 h GLU 68 N 0.09 0.32 -0.08 1.69 4.11 -1.97 0.37 114.58 119.12 1wg5 h GLU 68 Ca 0.04 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.30 1wg5 h GLU 68 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1wg5 h GLU 68 CO -0.01 0.21 -0.63 0.82 0.07 0.00 0.00 179.01 179.48 1wg5 h ILE 69 N 0.33 1.38 0.31 -1.06 2.04 -1.90 -3.24 117.51 115.38 1wg5 h ILE 69 Ca 0.55 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1wg5 h ILE 69 Cb 1.06 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1wg5 h ILE 69 CO -0.56 0.60 -0.15 0.00 0.00 0.00 0.00 178.15 178.04 1wg5 h ALA 70 N 1.12 -0.42 -0.78 1.87 0.00 0.56 -2.76 119.26 118.85 1wg5 h ALA 70 Ca -0.01 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.98 1wg5 h ALA 70 Cb 1.16 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1wg5 h ALA 70 CO 0.10 -0.74 0.26 0.93 0.00 0.00 0.00 179.25 179.80 1wg5 h GLU 71 N -0.42 0.33 -0.57 0.00 5.08 -1.30 0.39 114.58 118.09 1wg5 h GLU 71 Ca -0.04 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1wg5 h GLU 71 Cb 0.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1wg5 h GLU 71 CO 0.07 0.22 0.38 0.87 -1.00 0.00 0.00 179.01 179.55 1wg5 h LYS 72 N 0.34 0.39 0.00 2.33 1.57 -1.52 -0.06 116.57 119.62 1wg5 h LYS 72 Ca 0.45 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 59.08 1wg5 h LYS 72 Cb 0.78 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1wg5 h LYS 72 CO -0.49 0.26 -0.69 0.00 -0.57 0.00 0.00 179.45 177.95 1wg5 h ALA 73 N 1.71 0.64 -0.75 3.86 0.00 -0.11 -3.29 119.26 121.31 1wg5 h ALA 73 Ca 0.26 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1wg5 h ALA 73 Cb 0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1wg5 h ALA 73 CO -0.07 0.73 0.50 -0.07 0.00 0.00 0.00 179.25 180.34 1wg5 h LEU 74 N 0.00 0.85 -1.99 0.00 3.38 0.76 -0.28 115.31 118.03 1wg5 h LEU 74 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wg5 h LEU 74 Cb 1.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1wg5 h LEU 74 CO 0.07 0.61 0.00 0.11 0.09 0.00 0.00 178.44 179.32 1wg5 h LYS 75 N 1.00 0.00 -1.21 1.13 1.79 -1.60 -2.38 116.57 115.29 1wg5 h LYS 75 Ca 0.28 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.62 1wg5 h LYS 75 Cb -0.08 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.50 1wg5 h LYS 75 CO -0.07 0.00 0.16 1.63 -1.08 0.00 0.00 179.45 180.10 1wg5 n LYS 76 N -2.67 1.31 -2.47 3.15 5.02 -0.11 -4.91 118.16 117.48 1wg5 n LYS 76 Ca -0.02 -0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 55.24 1wg5 n LYS 76 Cb 0.09 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.78 3.04 0.00 2.13 2.46 -0.90 -3.09 115.29 118.15 1wg5 s HIS 77 Ca 0.13 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.23 1wg5 s HIS 77 Cb 0.11 -3.02 0.00 0.00 -0.13 0.00 0.00 32.58 29.54 1wg5 s HIS 77 CO 0.02 -0.80 0.00 1.63 -2.47 0.00 0.00 174.74 173.12 1wg5 n LYS 78 N -1.17 -0.99 -2.17 2.88 4.76 0.20 -4.91 118.16 116.76 1wg5 n LYS 78 Ca 0.09 0.25 -0.43 0.00 -2.87 0.00 0.00 58.31 55.35 1wg5 n LYS 78 Cb 0.53 -4.38 -0.02 0.00 -1.84 0.00 0.00 35.03 29.31 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 -1.28 3.64 0.31 1.97 0.41 -1.07 -3.98 118.70 118.71 1wg5 s GLU 79 Ca 0.00 1.39 -0.24 0.00 -0.41 0.00 0.00 54.97 55.71 1wg5 s GLU 79 Cb 0.00 -4.05 -0.10 0.00 -1.78 0.00 0.00 34.13 28.20 1wg5 s GLU 79 CO 0.00 -1.47 0.89 -0.98 -0.49 0.00 0.00 175.26 173.20 1wg5 s ARG 80 N 4.92 4.45 -0.59 1.61 1.04 -1.26 -1.29 118.95 127.83 1wg5 s ARG 80 Ca 0.69 1.18 0.02 0.00 -1.04 0.00 0.00 55.73 56.58 1wg5 s ARG 80 Cb -0.21 -2.73 0.15 0.00 -2.04 0.00 0.00 34.95 30.12 1wg5 s ARG 80 CO 0.30 0.26 0.36 0.42 -0.04 0.00 0.00 175.30 176.61 1wg5 s ILE 81 N -1.68 3.02 0.00 4.99 1.01 -1.00 -4.78 121.20 122.77 1wg5 s ILE 81 Ca 0.50 -3.35 0.00 0.00 0.00 0.00 0.00 60.65 57.80 1wg5 s ILE 81 Cb -0.17 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1wg5 s ILE 81 CO 0.22 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.91 1wg5 n GLY 82 N 3.05 2.84 0.00 6.18 0.00 -1.26 -4.28 105.19 111.72 1wg5 n GLY 82 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.25 1.61 1.44 -1.26 -5.13 115.22 108.63 1wg5 n HIS 83 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 1wg5 n HIS 83 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 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 0.47 0.28 -1.40 1.81 -1.26 -5.07 118.95 113.78 1wg5 s ARG 84 Ca 0.00 0.56 -0.29 0.00 -1.72 0.00 0.00 55.73 54.27 1wg5 s ARG 84 Cb 0.00 -0.01 -0.14 0.00 -0.45 0.00 0.00 34.95 34.35 1wg5 s ARG 84 CO 0.00 -0.82 1.20 0.66 -0.68 0.00 0.00 175.30 175.66 1wg5 n TYR 85 N 5.39 1.79 -4.26 -0.53 4.01 -1.26 -2.36 117.16 119.93 1wg5 n TYR 85 Ca -0.00 0.59 -0.34 0.00 -0.16 0.00 0.00 57.90 57.99 1wg5 n TYR 85 Cb 0.51 -2.35 -0.13 0.00 -0.31 0.00 0.00 39.34 37.06 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 -0.74 3.61 -0.40 -0.72 -1.09 -0.41 -4.57 121.20 116.87 1wg5 s ILE 86 Ca 0.61 -0.44 -0.16 0.00 -2.23 0.00 0.00 60.65 58.43 1wg5 s ILE 86 Cb -0.67 -2.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 1wg5 s ILE 86 CO 0.57 0.46 0.40 -1.61 -1.23 0.00 0.00 174.94 173.53 1wg5 s GLU 87 N 0.82 3.16 -0.12 2.79 2.02 0.91 0.60 118.70 128.87 1wg5 s GLU 87 Ca -0.01 -0.75 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 1wg5 s GLU 87 Cb -0.15 -3.94 -0.05 0.00 0.10 0.00 0.00 34.13 30.10 1wg5 s GLU 87 CO 0.02 -0.77 0.22 0.42 0.02 0.00 0.00 175.26 175.17 1wg5 s ILE 88 N 2.02 5.36 -0.06 -1.63 1.01 -1.26 0.21 121.20 126.85 1wg5 s ILE 88 Ca 0.11 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 1wg5 s ILE 88 Cb -0.17 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1wg5 s ILE 88 CO 0.13 0.52 0.10 -0.36 0.00 0.00 0.00 174.94 175.33 1wg5 s PHE 89 N -0.42 -0.03 -0.06 3.97 0.08 0.12 -4.91 117.98 116.72 1wg5 s PHE 89 Ca 0.16 0.38 -0.39 0.00 0.12 0.00 0.00 56.93 57.19 1wg5 s PHE 89 Cb -0.13 -0.40 -0.18 0.00 -0.57 0.00 0.00 43.02 41.75 1wg5 s PHE 89 CO 0.04 -0.23 1.37 1.17 -0.10 0.00 0.00 175.22 177.47 1wg5 n LYS 90 N 5.31 0.75 -2.95 0.44 0.00 -1.26 -0.14 118.16 120.31 1wg5 n LYS 90 Ca -0.04 0.27 -0.10 0.00 0.00 0.00 0.00 58.31 58.45 1wg5 n LYS 90 Cb 0.50 -1.87 -0.03 0.00 0.00 0.00 0.00 35.03 33.63 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 2.95 0.66 -4.11 3.14 2.88 0.05 -4.75 113.62 114.44 1wg5 n SER 91 Ca 0.22 -1.88 -0.14 0.00 -1.33 0.00 0.00 58.87 55.73 1wg5 n SER 91 Cb 0.13 0.49 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.99 0.65 0.09 -3.46 0.01 -1.26 -3.55 113.70 104.18 1wg5 s SER 92 Ca 0.11 -1.45 -0.27 0.00 1.31 0.00 0.00 55.95 55.65 1wg5 s SER 92 Cb 0.01 0.36 -0.15 0.00 0.21 0.00 0.00 66.02 66.44 1wg5 s SER 92 CO 0.08 -0.85 1.69 -0.09 0.41 0.00 0.00 173.24 174.48 1wg5 h ARG 93 N 2.48 -0.34 -0.37 12.44 9.65 -1.95 -2.95 114.38 133.35 1wg5 h ARG 93 Ca -0.35 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.63 1wg5 h ARG 93 Cb 1.25 0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 29.83 1wg5 h ARG 93 CO 0.53 -0.22 -0.14 0.00 2.80 0.00 0.00 179.97 182.93 1wg5 h ALA 94 N 0.41 0.16 -0.75 2.80 0.00 -2.00 -1.87 119.26 118.01 1wg5 h ALA 94 Ca -0.03 0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1wg5 h ALA 94 Cb 0.28 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 18.30 1wg5 h ALA 94 CO 0.03 -0.51 -0.21 0.93 0.00 0.00 0.00 179.25 179.50 1wg5 h GLU 95 N -0.07 -0.01 -5.64 0.00 4.39 -1.94 -3.37 114.58 107.94 1wg5 h GLU 95 Ca 0.18 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.34 1wg5 h GLU 95 Cb 0.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1wg5 h GLU 95 CO -0.42 -0.01 1.58 0.28 -1.16 0.00 0.00 179.01 179.28 1wg5 n VAL 96 N -5.50 0.06 -0.64 3.13 0.31 -0.70 -4.92 118.33 110.07 1wg5 n VAL 96 Ca 0.10 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.69 1wg5 n VAL 96 Cb 0.39 -1.96 0.26 0.00 -0.91 0.00 0.00 33.84 31.62 1wg5 n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg5 s ARG 97 N 7.60 -1.91 -0.22 5.55 3.03 -1.26 -5.02 118.95 126.72 1wg5 s ARG 97 Ca 1.10 0.25 -0.10 0.00 2.03 0.00 0.00 55.73 59.00 1wg5 s ARG 97 Cb -0.62 -1.49 -0.10 0.00 -1.03 0.00 0.00 34.95 31.71 1wg5 s ARG 97 CO 0.39 -4.23 -0.27 0.25 -1.13 0.00 0.00 175.30 170.30 1wg5 n THR 98 N -5.19 1.18 -0.76 4.99 -2.24 -1.26 -5.11 114.28 105.89 1wg5 n THR 98 Ca 0.10 -0.31 0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1wg5 n THR 98 Cb 0.59 -1.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.05 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 -3.89 -4.37 -3.84 3.42 7.64 -1.26 -4.94 113.62 106.37 1wg5 n SER 99 Ca -0.42 0.32 -0.12 0.00 1.01 0.00 0.00 58.87 59.66 1wg5 n SER 99 Cb 0.81 -2.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.36 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 -4.23 -0.03 -0.74 0.23 0.00 -1.26 -5.10 107.32 96.19 1wg5 s GLY 100 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.57 1wg5 s GLY 100 CO 0.00 -0.01 1.90 2.56 0.00 0.00 0.00 173.10 177.55 1wg5 s PRO 101 N -0.93 2.59 0.16 2.90 0.04 -1.26 -4.85 135.00 133.65 1wg5 s PRO 101 Ca -0.10 0.21 -0.17 0.00 0.04 0.00 0.00 61.00 60.98 1wg5 s PRO 101 Cb -0.05 -4.69 0.08 0.00 0.04 0.00 0.00 34.50 29.88 1wg5 s PRO 101 CO 0.01 -3.02 1.70 0.77 0.04 0.00 0.00 177.00 176.50 1wg5 h SER 102 N 13.33 -0.18 -6.00 6.66 0.02 -1.88 -3.47 113.55 122.03 1wg5 h SER 102 Ca -0.10 0.09 0.41 0.00 -0.84 0.00 0.00 61.79 61.35 1wg5 h SER 102 Cb 1.09 0.16 -0.11 0.00 0.14 0.00 0.00 62.40 63.68 1wg5 h SER 102 CO 1.21 -0.05 1.01 -0.44 -1.14 0.00 0.00 176.83 177.43 1wg5 s SER 103 N -5.25 -0.00 0.00 3.07 0.01 -1.26 -5.12 113.70 105.15 1wg5 s SER 103 Ca -0.13 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1wg5 s SER 103 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1wg5 s SER 103 CO 0.71 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.96