#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 -2.20 -3.65 1.61 2.88 -1.26 -5.15 113.62 105.86 1wg5 n SER 2 Ca 0.00 0.61 -0.01 0.00 -1.33 0.00 0.00 58.87 58.14 1wg5 n SER 2 Cb 0.00 2.24 -0.06 0.00 -0.75 0.00 0.00 64.21 65.63 1wg5 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg5 s SER 3 N -1.78 -0.29 0.00 -3.46 0.15 -1.26 -5.16 113.70 101.91 1wg5 s SER 3 Ca 0.00 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1wg5 s SER 3 Cb 0.00 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1wg5 s SER 3 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1wg5 n GLY 4 N 3.08 -3.21 2.77 9.45 0.00 -1.26 -4.99 105.19 111.03 1wg5 n GLY 4 Ca -0.16 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1wg5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg5 s SER 5 N -1.97 1.23 -0.12 1.61 0.01 -1.26 -5.13 113.70 108.07 1wg5 s SER 5 Ca 0.00 -0.02 -0.28 0.00 1.31 0.00 0.00 55.95 56.96 1wg5 s SER 5 Cb 0.00 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 1wg5 s SER 5 CO 0.00 -0.29 0.94 -0.55 0.41 0.00 0.00 173.24 173.75 1wg5 s SER 6 N 2.28 7.15 0.00 2.44 0.15 -1.26 -4.89 113.70 119.57 1wg5 s SER 6 Ca 0.04 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1wg5 s SER 6 Cb -0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1wg5 s SER 6 CO -0.09 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1wg5 n GLY 7 N 3.20 0.11 1.73 9.45 0.00 -1.26 -5.10 105.19 113.33 1wg5 n GLY 7 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.61 0.13 0.00 1.61 3.02 -1.26 -5.17 115.26 112.99 1wg5 n ASN 8 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1wg5 n ASN 8 Cb 0.00 0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1wg5 n ASN 8 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wg5 n SER 9 N -3.29 0.00 0.01 6.41 7.64 -1.26 -5.03 113.62 118.10 1wg5 n SER 9 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1wg5 n SER 9 Cb 0.03 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.34 1wg5 n SER 9 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1wg5 h PRO 10 N 0.00 0.53 -7.32 1.43 0.13 -2.02 -3.45 132.00 121.30 1wg5 h PRO 10 Ca 0.00 -0.28 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 1wg5 h PRO 10 Cb 0.00 0.01 0.10 0.00 0.13 0.00 0.00 31.00 31.24 1wg5 h PRO 10 CO 0.00 0.87 0.21 -0.51 -0.23 0.00 0.00 178.00 178.33 1wg5 s ASP 11 N -6.87 4.19 0.00 1.44 1.11 -1.26 -4.76 116.67 110.52 1wg5 s ASP 11 Ca -0.07 0.00 0.00 0.00 0.18 0.00 0.00 52.55 52.66 1wg5 s ASP 11 Cb 0.12 -0.39 0.00 0.00 1.07 0.00 0.00 42.92 43.72 1wg5 s ASP 11 CO 0.82 -1.98 0.00 1.07 1.18 0.00 0.00 175.17 176.26 1wg5 n THR 12 N -3.06 0.00 -3.80 -1.27 5.66 -1.26 -5.09 114.28 105.45 1wg5 n THR 12 Ca 0.13 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.77 1wg5 n THR 12 Cb 0.60 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.25 1wg5 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wg5 s ALA 13 N 0.00 3.04 -0.85 1.79 0.00 -1.26 -5.04 121.76 119.45 1wg5 s ALA 13 Ca 0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 51.96 50.57 1wg5 s ALA 13 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 1wg5 s ALA 13 CO 0.00 -0.47 1.84 -0.80 0.00 0.00 0.00 175.76 176.33 1wg5 s ASN 14 N 1.57 5.39 0.00 0.00 0.01 -1.26 -4.56 114.94 116.09 1wg5 s ASN 14 Ca 0.06 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1wg5 s ASN 14 Cb -0.15 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1wg5 s ASN 14 CO 0.01 -2.47 0.00 0.47 -1.51 0.00 0.00 177.10 173.60 1wg5 n ASP 15 N 12.86 4.15 -0.09 -1.22 8.00 -1.26 -4.69 116.55 134.31 1wg5 n ASP 15 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1wg5 n ASP 15 Cb 0.49 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 3.25 0.82 3.82 0.44 0.00 -1.26 -2.91 105.19 109.35 1wg5 n GLY 16 Ca 0.00 -0.08 -0.35 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 -1.83 3.60 0.03 1.61 0.08 -1.25 -0.32 117.98 119.90 1wg5 s PHE 17 Ca 0.00 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.43 1wg5 s PHE 17 Cb 0.00 -2.62 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 1wg5 s PHE 17 CO 0.00 0.28 -0.04 0.14 -0.10 0.00 0.00 175.22 175.50 1wg5 s VAL 18 N -1.62 0.21 -0.10 -0.44 -7.23 0.38 -1.07 120.40 110.53 1wg5 s VAL 18 Ca 0.46 -1.08 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1wg5 s VAL 18 Cb -0.15 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 1wg5 s VAL 18 CO 0.20 -0.55 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.66 1wg5 s ARG 19 N -1.86 3.05 -0.03 4.82 3.52 0.10 -1.56 118.95 126.99 1wg5 s ARG 19 Ca -0.11 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1wg5 s ARG 19 Cb -0.07 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 1wg5 s ARG 19 CO -0.02 0.28 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.23 1wg5 s LEU 20 N 0.13 3.44 -0.05 -0.88 1.43 0.45 0.16 118.68 123.36 1wg5 s LEU 20 Ca -0.09 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1wg5 s LEU 20 Cb -0.15 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1wg5 s LEU 20 CO 0.06 0.31 -0.02 -0.13 0.23 0.00 0.00 176.35 176.80 1wg5 s ARG 21 N -1.30 0.67 0.00 1.70 0.52 0.12 -2.54 118.95 118.12 1wg5 s ARG 21 Ca 0.17 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 1wg5 s ARG 21 Cb -0.11 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.51 1wg5 s ARG 21 CO 0.07 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1wg5 n GLY 22 N 4.51 1.48 3.76 -3.53 0.00 0.79 -0.10 105.19 112.10 1wg5 n GLY 22 Ca -0.18 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.02 3.81 0.78 0.99 1.43 0.59 -4.43 118.68 121.83 1wg5 s LEU 23 Ca 0.00 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 1wg5 s LEU 23 Cb 0.00 -4.45 0.06 0.00 0.03 0.00 0.00 46.19 41.83 1wg5 s LEU 23 CO 0.00 -1.32 1.09 -2.16 0.23 0.00 0.00 176.35 174.19 1wg5 s PRO 24 N -3.08 2.21 -0.10 1.29 0.04 -1.26 -4.67 135.00 129.42 1wg5 s PRO 24 Ca 0.72 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1wg5 s PRO 24 Cb -0.30 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1wg5 s PRO 24 CO 0.34 -1.68 1.96 -0.06 0.04 0.00 0.00 177.00 177.61 1wg5 s PHE 25 N -2.91 1.44 0.00 0.56 0.08 -1.26 -1.25 117.98 114.64 1wg5 s PHE 25 Ca 0.61 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.75 1wg5 s PHE 25 Cb -0.17 -4.08 0.00 0.00 -0.57 0.00 0.00 43.02 38.20 1wg5 s PHE 25 CO 0.56 -4.49 0.00 0.41 -0.10 0.00 0.00 175.22 171.60 1wg5 n GLY 26 N 4.93 0.79 3.67 4.36 0.00 -1.26 -5.03 105.19 112.66 1wg5 n GLY 26 Ca 0.23 -0.09 -0.45 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 0.65 0.14 0.30 0.00 0.01 -1.26 -5.03 113.70 108.51 1wg5 s SER 28 Ca 0.74 -0.84 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1wg5 s SER 28 Cb -0.67 0.36 0.78 0.00 0.21 0.00 0.00 66.02 66.70 1wg5 s SER 28 CO 0.43 -0.79 1.65 0.11 0.41 0.00 0.00 173.24 175.05 1wg5 h LYS 29 N 2.71 0.22 -1.01 12.44 1.57 -1.98 0.41 116.57 130.94 1wg5 h LYS 29 Ca -0.33 -0.01 0.30 0.00 -1.87 0.00 0.00 60.65 58.73 1wg5 h LYS 29 Cb 1.21 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.33 1wg5 h LYS 29 CO 0.54 0.15 0.59 0.93 -0.57 0.00 0.00 179.45 181.09 1wg5 h GLU 30 N 0.23 0.39 0.08 3.15 5.08 -1.98 0.47 114.58 122.00 1wg5 h GLU 30 Ca 0.58 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.64 1wg5 h GLU 30 Cb 1.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1wg5 h GLU 30 CO -0.65 0.26 -1.42 0.93 -1.00 0.00 0.00 179.01 177.14 1wg5 h GLU 31 N 0.41 0.17 0.58 2.33 4.39 -0.63 -3.36 114.58 118.47 1wg5 h GLU 31 Ca 0.70 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 60.08 1wg5 h GLU 31 Cb 1.55 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 30.31 1wg5 h GLU 31 CO -0.55 1.02 -0.28 0.82 -1.16 0.00 0.00 179.01 178.87 1wg5 h ILE 32 N 0.05 0.00 -0.73 3.13 2.04 0.53 -0.96 117.51 121.56 1wg5 h ILE 32 Ca -0.19 -0.25 0.16 0.00 1.00 0.00 0.00 64.86 65.58 1wg5 h ILE 32 Cb 1.96 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.90 1wg5 h ILE 32 CO 0.15 0.00 -0.13 0.52 0.00 0.00 0.00 178.15 178.69 1wg5 n VAL 33 N -4.78 -0.31 -0.05 1.67 0.31 0.13 0.12 118.33 115.42 1wg5 n VAL 33 Ca -0.10 1.66 -0.14 0.00 -0.01 0.00 0.00 64.34 65.75 1wg5 n VAL 33 Cb 0.31 -2.33 -0.08 0.00 -0.91 0.00 0.00 33.84 30.83 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 0.41 -0.85 5.55 1.08 -1.69 -3.06 115.11 116.54 1wg5 h GLN 34 Ca 0.38 -0.27 0.25 0.00 -1.45 0.00 0.00 58.65 57.56 1wg5 h GLN 34 Cb 0.64 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1wg5 h GLN 34 CO -0.74 0.87 0.78 0.35 -0.95 0.00 0.00 178.83 179.14 1wg5 h PHE 35 N 0.01 0.00 -0.90 2.96 3.57 0.24 0.76 116.94 123.58 1wg5 h PHE 35 Ca 0.00 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.95 1wg5 h PHE 35 Cb 0.86 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.31 1wg5 h PHE 35 CO 0.10 0.00 0.54 1.19 -2.23 0.00 0.00 178.31 177.92 1wg5 n PHE 36 N -3.79 2.88 -1.54 0.41 3.72 -0.50 -5.02 117.46 113.62 1wg5 n PHE 36 Ca 0.18 -2.37 -0.43 0.00 -0.05 0.00 0.00 57.45 54.78 1wg5 n PHE 36 Cb 1.07 -1.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.01 0.51 0.00 4.37 3.41 0.27 -1.18 113.62 119.98 1wg5 n SER 37 Ca 0.57 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 60.26 1wg5 n SER 37 Cb 1.10 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.43 3.03 3.94 5.00 0.00 -1.26 -5.01 105.19 112.31 1wg5 n GLY 38 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 4.24 -0.20 0.99 1.43 -0.32 -5.10 118.68 119.72 1wg5 s LEU 39 Ca 0.00 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1wg5 s LEU 39 Cb 0.00 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1wg5 s LEU 39 CO 0.00 -0.05 -0.04 -0.70 0.23 0.00 0.00 176.35 175.79 1wg5 s GLU 40 N -3.45 3.46 0.19 1.70 2.12 -1.26 -5.01 118.70 116.44 1wg5 s GLU 40 Ca 0.37 -0.60 0.10 0.00 0.36 0.00 0.00 54.97 55.20 1wg5 s GLU 40 Cb -0.11 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1wg5 s GLU 40 CO 0.29 -0.07 -0.15 0.42 -0.54 0.00 0.00 175.26 175.22 1wg5 s ILE 41 N 1.15 2.86 0.43 -3.70 1.01 -1.26 -2.67 121.20 119.02 1wg5 s ILE 41 Ca 0.02 -1.82 -0.22 0.00 0.00 0.00 0.00 60.65 58.63 1wg5 s ILE 41 Cb -0.15 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 1wg5 s ILE 41 CO -0.00 -0.12 1.02 0.68 0.00 0.00 0.00 174.94 176.51 1wg5 s VAL 42 N -1.72 3.89 -0.06 2.92 -7.23 -1.14 -4.81 120.40 112.25 1wg5 s VAL 42 Ca 0.24 1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 61.43 1wg5 s VAL 42 Cb -0.08 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.19 1wg5 s VAL 42 CO 0.13 -0.11 1.50 -2.16 -0.31 0.00 0.00 175.10 174.15 1wg5 s PRO 43 N -2.81 4.22 -0.40 4.82 0.04 -1.26 -2.57 135.00 137.04 1wg5 s PRO 43 Ca 0.61 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1wg5 s PRO 43 Cb -0.18 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1wg5 s PRO 43 CO 0.22 -0.74 0.00 -1.71 0.04 0.00 0.00 177.00 174.82 1wg5 n ASN 44 N 6.47 -2.32 -1.85 6.66 5.15 -1.26 -4.94 115.26 123.17 1wg5 n ASN 44 Ca 0.15 0.02 -0.18 0.00 -0.60 0.00 0.00 54.58 53.97 1wg5 n ASN 44 Cb 0.43 -1.44 0.17 0.00 -0.53 0.00 0.00 39.78 38.41 1wg5 n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg5 n GLY 45 N -1.26 4.86 3.11 8.20 0.00 -1.06 -4.94 105.19 114.09 1wg5 n GLY 45 Ca -0.05 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.35 1.52 -0.04 1.61 -1.94 -1.26 -0.13 119.30 115.71 1wg5 s MET 46 Ca 0.53 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 54.02 1wg5 s MET 46 Cb 0.45 -1.36 -0.01 0.00 2.01 0.00 0.00 34.83 35.93 1wg5 s MET 46 CO 0.05 0.24 -0.17 0.99 -0.01 0.00 0.00 175.02 176.12 1wg5 s THR 47 N -0.02 1.43 -0.37 2.05 2.01 0.44 -4.97 115.64 116.22 1wg5 s THR 47 Ca -0.02 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1wg5 s THR 47 Cb -0.10 -1.23 0.12 0.00 0.01 0.00 0.00 72.50 71.31 1wg5 s THR 47 CO 0.01 0.41 0.18 -0.76 -0.69 0.00 0.00 174.62 173.77 1wg5 s LEU 48 N -0.04 2.11 1.13 4.42 1.02 -1.26 -0.90 118.68 125.15 1wg5 s LEU 48 Ca -0.02 -2.13 -0.17 0.00 0.02 0.00 0.00 54.13 51.84 1wg5 s LEU 48 Cb -0.11 -0.82 0.25 0.00 0.02 0.00 0.00 46.19 45.53 1wg5 s LEU 48 CO 0.02 -0.34 1.10 -2.16 0.02 0.00 0.00 176.35 174.99 1wg5 s PRO 49 N 1.02 -0.64 0.33 1.29 0.04 -1.26 -4.95 135.00 130.83 1wg5 s PRO 49 Ca 0.14 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.34 1wg5 s PRO 49 Cb -0.21 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wg5 s PRO 49 CO -0.10 -3.37 0.38 0.14 0.04 0.00 0.00 177.00 174.10 1wg5 s VAL 50 N -2.99 0.00 0.00 -0.36 -7.23 -1.26 -3.06 120.40 105.50 1wg5 s VAL 50 Ca 0.69 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1wg5 s VAL 50 Cb -0.13 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1wg5 s VAL 50 CO 0.57 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.69 1wg5 n ASP 51 N -1.42 0.00 0.00 4.85 2.03 0.23 -4.72 116.55 117.52 1wg5 n ASP 51 Ca 0.04 -0.09 0.14 0.00 0.52 0.00 0.00 54.79 55.39 1wg5 n ASP 51 Cb 0.62 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.69 1wg5 n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1wg5 n PHE 52 N -0.17 0.00 -0.08 -0.67 7.35 -1.26 -3.35 117.46 119.29 1wg5 n PHE 52 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1wg5 n PHE 52 Cb 0.00 -0.34 -0.11 0.00 0.35 0.00 0.00 39.48 39.38 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 -1.34 1.44 0.00 -4.13 1.13 -1.26 -5.01 117.38 108.20 1wg5 n GLN 53 Ca 0.12 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1wg5 n GLN 53 Cb 0.25 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.22 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 2.18 1.73 3.49 1.08 0.00 -1.21 -5.12 105.19 107.33 1wg5 n GLY 54 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 3.72 0.15 1.61 0.52 -1.26 -4.76 118.95 118.93 1wg5 s ARG 55 Ca 0.00 -0.45 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 1wg5 s ARG 55 Cb 0.00 -3.25 -0.18 0.00 0.52 0.00 0.00 34.95 32.04 1wg5 s ARG 55 CO 0.00 -0.04 0.72 0.43 0.02 0.00 0.00 175.30 176.43 1wg5 n SER 56 N 4.46 -0.68 -1.55 0.23 7.64 -1.26 -0.60 113.62 121.86 1wg5 n SER 56 Ca -0.16 1.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.75 1wg5 n SER 56 Cb 0.52 -0.97 0.07 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.49 2.01 -1.32 0.44 -2.24 -1.17 -4.73 114.28 107.75 1wg5 n THR 57 Ca 0.18 -0.88 -0.13 0.00 -2.27 0.00 0.00 64.05 60.95 1wg5 n THR 57 Cb 0.21 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.10 1.19 3.37 3.38 0.00 -1.26 -4.81 105.19 106.97 1wg5 n GLY 58 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.98 1.40 0.01 1.61 2.02 -1.26 -0.14 118.70 119.35 1wg5 s GLU 59 Ca 0.00 -1.59 -0.28 0.00 0.02 0.00 0.00 54.97 53.12 1wg5 s GLU 59 Cb 0.00 -1.32 0.09 0.00 0.10 0.00 0.00 34.13 32.99 1wg5 s GLU 59 CO 0.00 0.24 0.75 0.00 0.02 0.00 0.00 175.26 176.27 1wg5 s ALA 60 N -2.65 -1.75 -0.12 5.21 0.00 -1.05 -4.29 121.76 117.10 1wg5 s ALA 60 Ca 0.23 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1wg5 s ALA 60 Cb -0.03 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1wg5 s ALA 60 CO 0.09 -0.55 -0.15 -0.06 0.00 0.00 0.00 175.76 175.09 1wg5 s PHE 61 N -2.36 2.02 -0.01 0.00 0.40 -0.08 -0.41 117.98 117.54 1wg5 s PHE 61 Ca -0.03 -1.01 0.05 0.00 -0.60 0.00 0.00 56.93 55.35 1wg5 s PHE 61 Cb -0.01 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1wg5 s PHE 61 CO -0.02 -0.53 -0.16 0.08 0.70 0.00 0.00 175.22 175.29 1wg5 s VAL 62 N 1.15 2.96 -0.34 -0.44 1.01 -0.60 -0.42 120.40 123.72 1wg5 s VAL 62 Ca -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1wg5 s VAL 62 Cb -0.14 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.12 1wg5 s VAL 62 CO -0.04 0.47 0.07 -1.58 0.00 0.00 0.00 175.10 174.02 1wg5 s GLN 63 N -1.08 2.08 0.63 2.72 0.74 0.81 -0.47 119.66 125.10 1wg5 s GLN 63 Ca 0.13 -1.59 -0.14 0.00 0.05 0.00 0.00 55.36 53.82 1wg5 s GLN 63 Cb -0.11 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 1wg5 s GLN 63 CO 0.03 -0.84 1.06 -0.06 -0.55 0.00 0.00 175.29 174.93 1wg5 s PHE 64 N 1.13 3.00 0.48 1.67 0.08 0.57 -2.90 117.98 122.01 1wg5 s PHE 64 Ca 0.02 1.49 0.29 0.00 0.12 0.00 0.00 56.93 58.85 1wg5 s PHE 64 Cb -0.21 -2.98 1.37 0.00 -0.57 0.00 0.00 43.02 40.64 1wg5 s PHE 64 CO -0.04 -1.18 1.76 0.00 -0.10 0.00 0.00 175.22 175.67 1wg5 h ALA 65 N 0.05 2.76 -2.19 5.36 0.00 -1.71 -3.39 119.26 120.15 1wg5 h ALA 65 Ca -0.46 0.02 0.21 0.00 0.00 0.00 0.00 54.91 54.67 1wg5 h ALA 65 Cb 1.22 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1wg5 h ALA 65 CO 0.57 -1.16 0.55 0.45 0.00 0.00 0.00 179.25 179.66 1wg5 s SER 66 N -5.09 -0.14 0.12 0.00 0.15 -1.15 -4.89 113.70 102.70 1wg5 s SER 66 Ca -0.07 -0.37 -0.21 0.00 0.70 0.00 0.00 55.95 56.00 1wg5 s SER 66 Cb 0.25 0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 64.93 1wg5 s SER 66 CO 0.81 -0.80 1.71 -0.61 1.20 0.00 0.00 173.24 175.55 1wg5 h GLN 67 N 2.00 -0.04 -1.41 5.44 -0.00 -1.84 -1.03 115.11 118.23 1wg5 h GLN 67 Ca -0.25 0.00 0.44 0.00 -0.00 0.00 0.00 58.65 58.84 1wg5 h GLN 67 Cb 1.22 0.01 -0.11 0.00 0.00 0.00 0.00 27.48 28.60 1wg5 h GLN 67 CO 0.27 -0.03 0.94 1.05 0.00 0.00 0.00 178.83 181.06 1wg5 h GLU 68 N -0.04 0.08 0.05 1.69 4.11 -1.96 0.98 114.58 119.49 1wg5 h GLU 68 Ca 0.07 -0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.20 1wg5 h GLU 68 Cb 0.14 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1wg5 h GLU 68 CO -0.15 0.05 -1.60 0.82 0.07 0.00 0.00 179.01 178.19 1wg5 h ILE 69 N 0.08 1.02 -0.86 -1.06 2.04 -1.70 -3.32 117.51 113.71 1wg5 h ILE 69 Ca 0.80 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.89 1wg5 h ILE 69 Cb 2.69 2.59 -0.04 0.00 -0.74 0.00 0.00 36.82 41.32 1wg5 h ILE 69 CO -0.29 0.71 0.55 0.00 0.00 0.00 0.00 178.15 179.12 1wg5 h ALA 70 N 0.71 1.35 -0.43 1.87 0.00 0.22 -2.49 119.26 120.49 1wg5 h ALA 70 Ca -0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1wg5 h ALA 70 Cb 1.99 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1wg5 h ALA 70 CO 0.11 0.58 0.06 0.93 0.00 0.00 0.00 179.25 180.93 1wg5 h GLU 71 N 1.17 0.72 -0.68 0.00 5.08 -1.26 -1.07 114.58 118.54 1wg5 h GLU 71 Ca 0.31 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1wg5 h GLU 71 Cb -0.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1wg5 h GLU 71 CO -0.06 0.76 0.45 0.87 -1.00 0.00 0.00 179.01 180.02 1wg5 h LYS 72 N 0.57 0.67 0.00 2.33 1.57 -1.55 -1.05 116.57 119.11 1wg5 h LYS 72 Ca 0.13 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 1wg5 h LYS 72 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1wg5 h LYS 72 CO 0.01 0.44 -0.79 0.00 -0.57 0.00 0.00 179.45 178.55 1wg5 h ALA 73 N 1.63 0.50 -0.88 3.86 0.00 -1.19 -3.29 119.26 119.89 1wg5 h ALA 73 Ca 0.29 -0.72 0.11 0.00 0.00 0.00 0.00 54.91 54.59 1wg5 h ALA 73 Cb 0.26 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1wg5 h ALA 73 CO -0.09 0.98 0.52 -0.07 0.00 0.00 0.00 179.25 180.59 1wg5 h LEU 74 N 0.00 0.74 -1.36 0.00 3.38 0.15 0.22 115.31 118.44 1wg5 h LEU 74 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wg5 h LEU 74 Cb 1.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1wg5 h LEU 74 CO 0.10 0.41 0.11 0.11 0.09 0.00 0.00 178.44 179.26 1wg5 h LYS 75 N 0.84 0.00 -1.38 1.13 1.79 -1.60 -1.90 116.57 115.44 1wg5 h LYS 75 Ca 0.43 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.69 1wg5 h LYS 75 Cb 0.43 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.97 1wg5 h LYS 75 CO -0.26 0.00 0.28 1.63 -1.08 0.00 0.00 179.45 180.01 1wg5 n LYS 76 N -2.26 1.53 -1.73 3.15 5.02 0.78 -4.93 118.16 119.71 1wg5 n LYS 76 Ca -0.01 -1.11 -0.32 0.00 -2.02 0.00 0.00 58.31 54.85 1wg5 n LYS 76 Cb 0.14 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.26 3.07 -0.89 2.13 2.46 -0.72 -3.25 115.29 116.83 1wg5 s HIS 77 Ca 0.22 1.45 0.00 0.00 0.47 0.00 0.00 55.06 57.20 1wg5 s HIS 77 Cb 0.17 -2.92 0.00 0.00 -0.13 0.00 0.00 32.58 29.70 1wg5 s HIS 77 CO 0.01 -1.19 0.00 1.63 -2.47 0.00 0.00 174.74 172.73 1wg5 n LYS 78 N -2.76 -1.33 -2.58 2.88 4.76 0.47 -4.85 118.16 114.75 1wg5 n LYS 78 Ca 0.08 0.53 -0.43 0.00 -2.87 0.00 0.00 58.31 55.62 1wg5 n LYS 78 Cb 0.53 -4.60 -0.02 0.00 -1.84 0.00 0.00 35.03 29.10 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 -2.56 3.91 0.36 1.97 0.41 -0.57 -4.09 118.70 118.12 1wg5 s GLU 79 Ca 0.00 0.91 -0.26 0.00 -0.41 0.00 0.00 54.97 55.22 1wg5 s GLU 79 Cb 0.00 -3.83 -0.09 0.00 -1.78 0.00 0.00 34.13 28.43 1wg5 s GLU 79 CO 0.00 -1.13 1.03 -0.98 -0.49 0.00 0.00 175.26 173.69 1wg5 s ARG 80 N 4.06 4.37 -0.54 1.61 1.04 -1.26 -1.36 118.95 126.87 1wg5 s ARG 80 Ca 0.48 1.51 0.04 0.00 -1.04 0.00 0.00 55.73 56.73 1wg5 s ARG 80 Cb -0.11 -2.73 0.14 0.00 -2.04 0.00 0.00 34.95 30.20 1wg5 s ARG 80 CO 0.23 0.04 0.29 0.42 -0.04 0.00 0.00 175.30 176.24 1wg5 s ILE 81 N -1.55 2.56 0.00 4.99 1.01 -0.93 -4.80 121.20 122.47 1wg5 s ILE 81 Ca 0.53 -3.43 0.00 0.00 0.00 0.00 0.00 60.65 57.76 1wg5 s ILE 81 Cb -0.23 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1wg5 s ILE 81 CO 0.29 -0.84 0.00 0.61 0.00 0.00 0.00 174.94 175.00 1wg5 n GLY 82 N 2.96 2.54 0.00 6.18 0.00 -1.26 -4.26 105.19 111.35 1wg5 n GLY 82 Ca 0.07 -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 0.00 -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 0.50 0.31 -1.40 1.81 -1.26 -5.02 118.95 113.88 1wg5 s ARG 84 Ca 0.00 0.77 -0.29 0.00 -1.72 0.00 0.00 55.73 54.50 1wg5 s ARG 84 Cb 0.00 0.42 -0.13 0.00 -0.45 0.00 0.00 34.95 34.78 1wg5 s ARG 84 CO 0.00 -0.65 1.21 0.66 -0.68 0.00 0.00 175.30 175.84 1wg5 n TYR 85 N 5.42 1.91 -4.50 -0.53 4.01 -1.26 -2.19 117.16 120.02 1wg5 n TYR 85 Ca 0.00 0.59 -0.33 0.00 -0.16 0.00 0.00 57.90 58.00 1wg5 n TYR 85 Cb 0.52 -2.36 -0.15 0.00 -0.31 0.00 0.00 39.34 37.04 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 -0.92 2.77 -0.41 -0.72 -1.09 -0.46 -4.51 121.20 115.86 1wg5 s ILE 86 Ca 0.59 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 58.12 1wg5 s ILE 86 Cb -0.63 -2.18 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 1wg5 s ILE 86 CO 0.60 0.51 0.31 -1.61 -1.23 0.00 0.00 174.94 173.51 1wg5 s GLU 87 N 0.81 3.01 -0.13 2.79 8.01 0.86 0.18 118.70 134.23 1wg5 s GLU 87 Ca -0.05 -0.98 -0.12 0.00 0.01 0.00 0.00 54.97 53.83 1wg5 s GLU 87 Cb -0.15 -3.97 -0.05 0.00 -4.31 0.00 0.00 34.13 25.65 1wg5 s GLU 87 CO 0.00 -0.74 0.26 0.42 0.01 0.00 0.00 175.26 175.21 1wg5 s ILE 88 N 1.72 5.31 -0.04 -1.63 1.01 -1.26 0.15 121.20 126.47 1wg5 s ILE 88 Ca 0.06 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 1wg5 s ILE 88 Cb -0.19 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1wg5 s ILE 88 CO 0.10 0.48 0.06 -0.36 0.00 0.00 0.00 174.94 175.23 1wg5 s PHE 89 N -0.14 0.04 0.22 3.97 0.08 0.12 -4.87 117.98 117.42 1wg5 s PHE 89 Ca 0.16 0.28 -0.28 0.00 0.12 0.00 0.00 56.93 57.21 1wg5 s PHE 89 Cb -0.13 -0.46 -0.16 0.00 -0.57 0.00 0.00 43.02 41.70 1wg5 s PHE 89 CO 0.05 -0.19 0.62 1.17 -0.10 0.00 0.00 175.22 176.76 1wg5 n LYS 90 N 5.26 0.29 -1.81 0.44 0.00 -1.26 -0.72 118.16 120.36 1wg5 n LYS 90 Ca -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 58.31 58.36 1wg5 n LYS 90 Cb 0.50 -1.18 -0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 1.84 -0.12 -4.16 3.14 2.88 -0.23 -4.69 113.62 112.27 1wg5 n SER 91 Ca 0.16 -1.18 -0.10 0.00 -1.33 0.00 0.00 58.87 56.42 1wg5 n SER 91 Cb 0.27 0.23 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.20 0.33 0.19 -3.46 0.15 -1.26 -3.80 113.70 104.64 1wg5 s SER 92 Ca 0.03 -1.22 -0.12 0.00 0.70 0.00 0.00 55.95 55.34 1wg5 s SER 92 Cb -0.00 0.30 0.17 0.00 -1.71 0.00 0.00 66.02 64.78 1wg5 s SER 92 CO 0.02 -0.73 1.78 -0.09 1.20 0.00 0.00 173.24 175.42 1wg5 h ARG 93 N 2.84 0.50 -0.20 5.44 2.43 -1.94 -2.66 114.38 120.78 1wg5 h ARG 93 Ca -0.35 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.84 1wg5 h ARG 93 Cb 1.20 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 1wg5 h ARG 93 CO 0.59 0.33 -0.31 0.00 -1.51 0.00 0.00 179.97 179.06 1wg5 h ALA 94 N 1.31 -0.30 -0.39 2.80 0.00 -1.96 -2.28 119.26 118.43 1wg5 h ALA 94 Ca 0.25 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1wg5 h ALA 94 Cb 0.18 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 1wg5 h ALA 94 CO -0.19 -0.77 -0.28 1.49 0.00 0.00 0.00 179.25 179.51 1wg5 h GLU 95 N -0.35 -0.21 -5.74 0.00 4.22 -1.87 -3.40 114.58 107.23 1wg5 h GLU 95 Ca 0.12 0.01 -0.68 0.00 0.08 0.00 0.00 59.36 58.89 1wg5 h GLU 95 Cb 0.53 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1wg5 h GLU 95 CO -0.39 -0.14 1.45 0.28 -2.18 0.00 0.00 179.01 178.03 1wg5 n VAL 96 N -5.41 0.02 -3.65 0.32 0.31 -0.86 -4.90 118.33 104.17 1wg5 n VAL 96 Ca 0.01 -0.06 -0.28 0.00 -0.01 0.00 0.00 64.34 64.00 1wg5 n VAL 96 Cb 0.32 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.48 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 6.83 3.55 -0.20 5.55 3.03 -1.26 -4.93 118.95 131.51 1wg5 s ARG 97 Ca 1.22 -0.25 0.13 0.00 2.03 0.00 0.00 55.73 58.85 1wg5 s ARG 97 Cb -1.31 -2.82 0.33 0.00 -1.03 0.00 0.00 34.95 30.12 1wg5 s ARG 97 CO 0.58 0.39 1.29 -2.37 -1.13 0.00 0.00 175.30 174.06 1wg5 n THR 98 N -0.56 0.24 -3.50 4.99 5.66 -1.26 -4.94 114.28 114.91 1wg5 n THR 98 Ca -0.04 -1.11 -0.38 0.00 -3.05 0.00 0.00 64.05 59.47 1wg5 n THR 98 Cb 0.53 0.93 0.04 0.00 -1.55 0.00 0.00 70.33 70.28 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 -5.53 0.00 1.09 7.64 -1.26 -4.89 113.62 109.90 1wg5 n SER 99 Ca -0.13 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1wg5 n SER 99 Cb 0.85 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 -0.11 4.10 0.00 0.23 0.00 -1.26 -4.87 105.19 103.28 1wg5 n GLY 100 Ca -0.08 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.65 0.37 -0.30 1.61 -0.04 -1.26 -3.91 135.00 129.82 1wg5 n PRO 101 Ca 0.00 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1wg5 n PRO 101 Cb 0.00 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 1wg5 n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg5 n SER 102 N -1.13 -0.11 -0.01 3.54 2.88 -1.26 -0.64 113.62 116.89 1wg5 n SER 102 Ca 0.10 1.45 -0.22 0.00 -1.33 0.00 0.00 58.87 58.87 1wg5 n SER 102 Cb 0.08 -0.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.88 1wg5 n SER 102 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wg5 n SER 103 N -5.24 2.09 -0.06 -3.46 3.41 -1.25 -5.18 113.62 103.93 1wg5 n SER 103 Ca 0.20 0.24 0.16 0.00 -0.26 0.00 0.00 58.87 59.20 1wg5 n SER 103 Cb 0.64 -0.88 0.90 0.00 -0.26 0.00 0.00 64.21 64.62 1wg5 n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49