#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj6 s SER 2 N 0.00 0.21 0.00 1.61 0.01 -1.26 -5.15 113.70 109.12 1wj6 s SER 2 Ca 0.00 0.62 -0.00 0.00 1.31 0.00 0.00 55.95 57.88 1wj6 s SER 2 Cb 0.00 0.95 -0.04 0.00 0.21 0.00 0.00 66.02 67.14 1wj6 s SER 2 CO 0.00 -0.25 0.10 -0.44 0.41 0.00 0.00 173.24 173.05 1wj6 s SER 3 N 2.49 5.76 0.00 2.44 0.01 -1.26 -5.02 113.70 118.12 1wj6 s SER 3 Ca 0.02 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1wj6 s SER 3 Cb -0.13 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1wj6 s SER 3 CO -0.11 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1wj6 n GLY 4 N 1.07 0.81 3.29 3.44 0.00 -1.26 -5.08 105.19 107.47 1wj6 n GLY 4 Ca -0.12 -2.26 0.03 0.00 0.00 0.00 0.00 46.02 43.66 1wj6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 s SER 5 N -0.66 -1.15 -0.28 1.61 0.01 -1.26 -5.15 113.70 106.82 1wj6 s SER 5 Ca 0.00 0.97 -0.22 0.00 1.31 0.00 0.00 55.95 58.01 1wj6 s SER 5 Cb 0.00 2.06 0.12 0.00 0.21 0.00 0.00 66.02 68.41 1wj6 s SER 5 CO 0.00 -0.22 0.95 -0.55 0.41 0.00 0.00 173.24 173.83 1wj6 s SER 6 N 2.85 -0.55 0.00 2.44 0.15 -1.26 -5.17 113.70 112.15 1wj6 s SER 6 Ca 0.10 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1wj6 s SER 6 Cb -0.13 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1wj6 s SER 6 CO -0.19 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1wj6 n GLY 7 N 2.82 2.71 0.13 9.45 0.00 -1.26 -5.07 105.19 113.96 1wj6 n GLY 7 Ca -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1wj6 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj6 h PRO 8 N 0.00 -0.24 0.00 1.61 0.13 -2.00 -3.49 132.00 128.01 1wj6 h PRO 8 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1wj6 h PRO 8 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1wj6 h PRO 8 CO 0.00 -0.16 0.00 1.58 -0.23 0.00 0.00 178.00 179.19 1wj6 n HIS 9 N -4.21 -0.67 -4.14 1.56 -0.00 -1.26 -5.15 115.22 101.35 1wj6 n HIS 9 Ca -0.03 0.03 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 1wj6 n HIS 9 Cb 0.10 0.19 -0.07 0.00 -0.00 0.00 0.00 29.99 30.21 1wj6 n HIS 9 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1wj6 s SER 10 N -2.00 4.43 -0.28 0.26 0.01 -1.26 -5.13 113.70 109.73 1wj6 s SER 10 Ca 0.00 -1.13 0.01 0.00 1.31 0.00 0.00 55.95 56.14 1wj6 s SER 10 Cb 0.00 -0.33 0.17 0.00 0.21 0.00 0.00 66.02 66.07 1wj6 s SER 10 CO 0.00 -0.62 0.46 -0.04 0.41 0.00 0.00 173.24 173.45 1wj6 s MET 11 N -3.94 0.44 0.11 12.44 -1.94 -1.26 -5.13 119.30 120.02 1wj6 s MET 11 Ca 0.38 0.38 0.06 0.00 -1.71 0.00 0.00 55.69 54.81 1wj6 s MET 11 Cb 0.03 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.69 1wj6 s MET 11 CO 0.21 -0.91 -0.16 -1.21 -0.01 0.00 0.00 175.02 172.94 1wj6 s GLU 12 N 2.63 1.00 -0.01 2.03 8.01 -1.26 -5.06 118.70 126.04 1wj6 s GLU 12 Ca 0.12 -1.15 -0.22 0.00 0.01 0.00 0.00 54.97 53.73 1wj6 s GLU 12 Cb -0.13 -1.02 -0.22 0.00 -4.31 0.00 0.00 34.13 28.45 1wj6 s GLU 12 CO -0.26 0.22 1.11 -1.00 0.01 0.00 0.00 175.26 175.34 1wj6 h PRO 13 N 3.86 0.32 -4.45 0.39 0.13 -1.88 -3.44 132.00 126.92 1wj6 h PRO 13 Ca -0.42 -0.31 -0.47 0.00 -0.87 0.00 0.00 66.00 63.93 1wj6 h PRO 13 Cb 1.19 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1wj6 h PRO 13 CO 0.45 0.99 1.45 1.04 -0.23 0.00 0.00 178.00 181.69 1wj6 n GLN 14 N -4.37 0.00 -4.20 0.86 6.02 -1.15 -4.64 117.38 109.90 1wj6 n GLN 14 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.56 1wj6 n GLN 14 Cb 0.57 -1.29 -0.08 0.00 1.02 0.00 0.00 30.24 30.46 1wj6 n GLN 14 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1wj6 s VAL 15 N 7.28 4.48 -0.51 5.09 1.01 -0.69 -4.80 120.40 132.26 1wj6 s VAL 15 Ca 1.14 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 1wj6 s VAL 15 Cb -1.12 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 32.33 1wj6 s VAL 15 CO 0.45 0.40 0.58 -0.89 0.00 0.00 0.00 175.10 175.64 1wj6 s THR 16 N -1.11 4.97 -0.69 3.92 2.01 0.49 -0.69 115.64 124.54 1wj6 s THR 16 Ca 0.20 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 1wj6 s THR 16 Cb -0.12 -4.29 0.07 0.00 0.01 0.00 0.00 72.50 68.18 1wj6 s THR 16 CO 0.11 -0.80 0.99 -0.76 -0.69 0.00 0.00 174.62 173.46 1wj6 s LEU 17 N 2.35 4.40 -0.63 4.42 1.43 0.06 0.34 118.68 131.05 1wj6 s LEU 17 Ca 0.11 -1.07 -0.24 0.00 -1.03 0.00 0.00 54.13 51.90 1wj6 s LEU 17 Cb -0.22 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.63 1wj6 s LEU 17 CO 0.09 -1.42 1.03 0.20 0.23 0.00 0.00 176.35 176.48 1wj6 s ASN 18 N 3.70 6.25 -0.35 2.29 0.01 0.96 -0.97 114.94 126.83 1wj6 s ASN 18 Ca 0.24 -0.60 -0.16 0.00 -0.71 0.00 0.00 52.86 51.63 1wj6 s ASN 18 Cb -0.15 -2.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1wj6 s ASN 18 CO 0.08 -1.44 0.39 -0.69 -1.51 0.00 0.00 177.10 173.93 1wj6 s VAL 19 N 4.37 5.14 -0.55 1.60 1.01 0.20 0.20 120.40 132.37 1wj6 s VAL 19 Ca 0.29 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 1wj6 s VAL 19 Cb -0.13 -3.86 0.14 0.00 0.00 0.00 0.00 36.38 32.53 1wj6 s VAL 19 CO 0.15 -0.13 0.43 -0.89 0.00 0.00 0.00 175.10 174.66 1wj6 s THR 20 N 2.08 4.32 -0.55 3.92 2.01 0.28 0.19 115.64 127.89 1wj6 s THR 20 Ca 0.13 -2.11 -0.21 0.00 0.31 0.00 0.00 61.69 59.81 1wj6 s THR 20 Cb -0.16 -3.81 0.06 0.00 0.01 0.00 0.00 72.50 68.59 1wj6 s THR 20 CO 0.12 -0.83 0.78 0.12 -0.69 0.00 0.00 174.62 174.11 1wj6 s PHE 21 N 0.92 2.91 0.00 4.92 5.36 0.22 -2.75 117.98 129.56 1wj6 s PHE 21 Ca 0.10 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 1wj6 s PHE 21 Cb -0.23 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 1wj6 s PHE 21 CO -0.02 -1.23 0.00 1.63 -1.46 0.00 0.00 175.22 174.13 1wj6 n LYS 22 N 6.80 0.00 0.00 10.12 5.02 -1.26 0.93 118.16 139.77 1wj6 n LYS 22 Ca -0.04 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1wj6 n LYS 22 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1wj6 n LYS 22 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wj6 n ASN 23 N 5.35 0.81 -4.85 4.39 2.85 -1.26 -5.01 115.26 117.53 1wj6 n ASN 23 Ca 0.00 -0.90 -0.35 0.00 -0.11 0.00 0.00 54.58 53.22 1wj6 n ASN 23 Cb 0.00 0.39 -0.06 0.00 1.24 0.00 0.00 39.78 41.36 1wj6 n ASN 23 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1wj6 s GLU 24 N -0.64 3.97 -0.08 1.20 2.02 0.26 -5.08 118.70 120.35 1wj6 s GLU 24 Ca 0.02 0.49 0.03 0.00 0.02 0.00 0.00 54.97 55.53 1wj6 s GLU 24 Cb 0.02 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.39 1wj6 s GLU 24 CO 0.06 0.44 -0.18 0.42 0.02 0.00 0.00 175.26 176.02 1wj6 s ILE 25 N -1.54 1.59 0.19 -1.63 1.01 -1.26 0.69 121.20 120.24 1wj6 s ILE 25 Ca 0.40 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1wj6 s ILE 25 Cb -0.14 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1wj6 s ILE 25 CO 0.19 0.46 -0.08 -1.58 0.00 0.00 0.00 174.94 173.93 1wj6 s GLN 26 N 0.47 1.21 -0.04 2.79 2.00 0.50 -4.96 119.66 121.62 1wj6 s GLN 26 Ca -0.16 -1.56 -0.02 0.00 -2.00 0.00 0.00 55.36 51.62 1wj6 s GLN 26 Cb -0.17 -0.72 0.02 0.00 0.80 0.00 0.00 33.01 32.95 1wj6 s GLN 26 CO 0.06 0.04 0.09 0.45 -0.50 0.00 0.00 175.29 175.43 1wj6 s SER 27 N -3.25 -0.06 -0.10 6.67 0.15 -1.25 0.58 113.70 116.45 1wj6 s SER 27 Ca 0.22 0.18 -0.02 0.00 0.70 0.00 0.00 55.95 57.03 1wj6 s SER 27 Cb 0.03 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1wj6 s SER 27 CO 0.04 -0.09 0.00 -0.36 1.20 0.00 0.00 173.24 174.04 1wj6 s PHE 28 N 0.65 0.77 0.10 3.44 0.08 -0.14 -4.92 117.98 117.96 1wj6 s PHE 28 Ca -0.05 -0.32 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 1wj6 s PHE 28 Cb -0.07 -0.86 -0.06 0.00 -0.57 0.00 0.00 43.02 41.46 1wj6 s PHE 28 CO -0.03 -0.39 0.95 -1.17 -0.10 0.00 0.00 175.22 174.48 1wj6 s LEU 29 N 1.94 4.49 -0.45 -0.37 2.96 -1.25 -0.77 118.68 125.23 1wj6 s LEU 29 Ca 0.04 1.77 0.03 0.00 -0.22 0.00 0.00 54.13 55.75 1wj6 s LEU 29 Cb -0.13 -3.57 0.12 0.00 0.50 0.00 0.00 46.19 43.11 1wj6 s LEU 29 CO -0.06 -0.07 0.20 -0.69 -1.32 0.00 0.00 176.35 174.41 1wj6 s VAL 30 N 0.05 2.21 -1.38 1.68 1.01 0.13 -4.88 120.40 119.22 1wj6 s VAL 30 Ca 0.47 -2.85 0.16 0.00 0.00 0.00 0.00 61.98 59.76 1wj6 s VAL 30 Cb -0.23 -2.56 0.26 0.00 0.00 0.00 0.00 36.38 33.85 1wj6 s VAL 30 CO 0.29 -0.76 1.47 -1.54 0.00 0.00 0.00 175.10 174.56 1wj6 n SER 31 N 3.55 0.00 -3.11 3.32 3.41 -1.26 -1.70 113.62 117.83 1wj6 n SER 31 Ca 0.05 0.11 -0.21 0.00 -0.26 0.00 0.00 58.87 58.57 1wj6 n SER 31 Cb 0.35 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1wj6 n SER 31 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wj6 n ASP 32 N -1.31 -0.64 0.15 4.04 9.92 -1.26 -4.29 116.55 123.15 1wj6 n ASP 32 Ca 0.07 -2.78 0.13 0.00 -0.53 0.00 0.00 54.79 51.68 1wj6 n ASP 32 Cb 0.14 -0.06 0.45 0.00 -0.64 0.00 0.00 41.12 41.00 1wj6 n ASP 32 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1wj6 h PRO 33 N 4.24 0.00 0.00 -0.24 0.13 -1.82 0.15 132.00 134.46 1wj6 h PRO 33 Ca 0.05 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.87 1wj6 h PRO 33 Cb 0.92 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.99 1wj6 h PRO 33 CO 0.41 0.00 -2.15 0.39 -0.23 0.00 0.00 178.00 176.42 1wj6 n GLU 34 N -2.44 0.67 -0.06 0.86 1.02 -1.26 -4.55 120.64 114.88 1wj6 n GLU 34 Ca 0.03 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.20 1wj6 n GLU 34 Cb 0.35 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1wj6 n GLU 34 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1wj6 h ASN 35 N 0.00 0.00 -2.01 1.62 -0.73 -1.92 -3.47 115.58 109.06 1wj6 h ASN 35 Ca -0.43 -0.12 -0.44 0.00 1.87 0.00 0.00 56.30 57.18 1wj6 h ASN 35 Cb 2.08 0.00 0.23 0.00 0.27 0.00 0.00 38.32 40.90 1wj6 h ASN 35 CO 0.04 0.67 -1.36 1.07 -0.37 0.00 0.00 177.43 177.49 1wj6 n THR 36 N -4.70 0.00 -5.00 -3.57 5.66 0.51 -5.01 114.28 102.17 1wj6 n THR 36 Ca -0.05 -0.23 -0.29 0.00 -3.05 0.00 0.00 64.05 60.44 1wj6 n THR 36 Cb 0.16 -0.48 -0.15 0.00 -1.55 0.00 0.00 70.33 68.30 1wj6 n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wj6 s THR 37 N -2.18 1.92 0.48 1.09 -4.23 -1.26 -4.91 115.64 106.56 1wj6 s THR 37 Ca 0.51 -1.17 0.27 0.00 -1.18 0.00 0.00 61.69 60.12 1wj6 s THR 37 Cb -0.07 -1.62 0.46 0.00 1.34 0.00 0.00 72.50 72.61 1wj6 s THR 37 CO 0.64 0.42 1.84 -0.25 -0.54 0.00 0.00 174.62 176.72 1wj6 h TRP 38 N 5.19 0.27 -0.67 3.99 2.91 -1.91 1.40 115.95 127.13 1wj6 h TRP 38 Ca -0.43 0.01 0.03 0.00 1.13 0.00 0.00 58.89 59.63 1wj6 h TRP 38 Cb 1.14 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.67 1wj6 h TRP 38 CO 0.44 0.04 0.44 0.00 -1.03 0.00 0.00 178.44 178.33 1wj6 h ALA 39 N 1.55 1.61 -0.28 2.65 0.00 -1.94 1.16 119.26 124.02 1wj6 h ALA 39 Ca 0.50 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 1wj6 h ALA 39 Cb 1.67 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1wj6 h ALA 39 CO -0.11 0.32 -0.48 -0.44 0.00 0.00 0.00 179.25 178.54 1wj6 h ASP 40 N 0.81 0.90 0.19 0.00 3.32 0.15 -0.03 116.42 121.76 1wj6 h ASP 40 Ca 0.26 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1wj6 h ASP 40 Cb 0.05 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1wj6 h ASP 40 CO -0.07 1.26 -0.09 0.40 -1.72 0.00 0.00 179.24 179.01 1wj6 h ILE 41 N 0.58 0.90 -0.32 0.35 5.03 -0.53 1.08 117.51 124.60 1wj6 h ILE 41 Ca 0.02 -0.80 0.06 0.00 -0.12 0.00 0.00 64.86 64.02 1wj6 h ILE 41 Cb 1.08 1.36 -0.06 0.00 -3.03 0.00 0.00 36.82 36.17 1wj6 h ILE 41 CO 0.11 0.17 -0.05 -0.08 -0.68 0.00 0.00 178.15 177.62 1wj6 h GLU 42 N -0.67 0.04 -0.27 2.37 4.81 0.13 0.28 114.58 121.26 1wj6 h GLU 42 Ca -0.03 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1wj6 h GLU 42 Cb 0.48 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1wj6 h GLU 42 CO 0.04 0.02 -0.38 0.00 -0.73 0.00 0.00 179.01 177.97 1wj6 h ALA 43 N 1.30 0.83 0.35 2.92 0.00 -1.00 -1.75 119.26 121.92 1wj6 h ALA 43 Ca 0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wj6 h ALA 43 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wj6 h ALA 43 CO -0.30 0.64 -0.30 1.98 0.00 0.00 0.00 179.25 181.27 1wj6 h MET 44 N 0.52 -0.65 -0.93 0.00 1.85 0.25 0.12 114.93 116.09 1wj6 h MET 44 Ca 0.05 0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1wj6 h MET 44 Cb 0.89 0.15 -0.05 0.00 0.43 0.00 0.00 31.60 33.02 1wj6 h MET 44 CO 0.08 -0.43 0.57 0.28 -0.40 0.00 0.00 176.91 177.01 1wj6 h VAL 45 N -0.67 1.25 0.28 -5.77 2.07 -0.50 0.62 116.25 113.53 1wj6 h VAL 45 Ca -0.03 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1wj6 h VAL 45 Cb 0.59 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1wj6 h VAL 45 CO -0.03 0.26 -0.47 0.11 0.02 0.00 0.00 177.57 177.46 1wj6 h LYS 46 N 1.27 -0.77 -0.29 1.57 1.57 -0.77 0.29 116.57 119.44 1wj6 h LYS 46 Ca 0.33 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1wj6 h LYS 46 Cb -0.08 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1wj6 h LYS 46 CO -0.07 -0.51 0.15 -0.39 -0.57 0.00 0.00 179.45 178.06 1wj6 h VAL 47 N -0.80 1.14 -0.96 0.50 -1.51 -0.74 1.99 116.25 115.87 1wj6 h VAL 47 Ca -0.03 -0.39 0.30 0.00 -1.23 0.00 0.00 66.70 65.35 1wj6 h VAL 47 Cb 0.74 0.87 -0.16 0.00 -2.13 0.00 0.00 31.29 30.61 1wj6 h VAL 47 CO -0.16 0.14 0.32 -1.28 -1.23 0.00 0.00 177.57 175.36 1wj6 h SER 48 N 0.34 0.05 0.28 4.19 0.87 0.65 0.66 113.55 120.59 1wj6 h SER 48 Ca 0.10 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1wj6 h SER 48 Cb 0.10 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1wj6 h SER 48 CO -0.01 -0.27 -1.53 0.49 -0.53 0.00 0.00 176.83 174.97 1wj6 n PHE 49 N -5.27 0.25 -2.10 2.24 3.01 0.06 -4.98 117.46 110.67 1wj6 n PHE 49 Ca 0.28 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.81 1wj6 n PHE 49 Cb 0.90 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1wj6 n PHE 49 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wj6 n ASP 50 N -2.22 -1.69 -4.68 4.37 2.03 0.56 -5.07 116.55 109.85 1wj6 n ASP 50 Ca -0.01 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.96 1wj6 n ASP 50 Cb 0.52 -0.42 -0.09 0.00 -0.72 0.00 0.00 41.12 40.41 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wj6 s LEU 51 N -0.87 3.54 -0.04 -2.67 1.43 0.47 -4.94 118.68 115.60 1wj6 s LEU 51 Ca 0.00 0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1wj6 s LEU 51 Cb 0.00 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1wj6 s LEU 51 CO 0.00 0.33 0.41 0.78 0.23 0.00 0.00 176.35 178.10 1wj6 h ASN 52 N 4.72 -0.27 -3.54 2.29 4.21 -1.98 -3.37 115.58 117.65 1wj6 h ASN 52 Ca -0.50 0.01 -0.54 0.00 1.21 0.00 0.00 56.30 56.48 1wj6 h ASN 52 Cb 1.18 0.07 -0.33 0.00 -1.12 0.00 0.00 38.32 38.12 1wj6 h ASN 52 CO 0.56 0.10 -0.83 0.42 -1.29 0.00 0.00 177.43 176.40 1wj6 s THR 53 N -2.57 1.29 0.29 2.81 -4.23 -1.26 -5.00 115.64 106.97 1wj6 s THR 53 Ca -0.05 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1wj6 s THR 53 Cb 0.00 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 1wj6 s THR 53 CO 0.14 0.39 0.15 0.27 -0.54 0.00 0.00 174.62 175.02 1wj6 s ILE 54 N 0.46 0.34 -0.40 2.99 -4.36 -1.26 -0.59 121.20 118.38 1wj6 s ILE 54 Ca -0.12 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.36 1wj6 s ILE 54 Cb -0.15 -2.53 0.29 0.00 1.25 0.00 0.00 42.46 41.33 1wj6 s ILE 54 CO 0.04 0.00 0.63 1.67 0.24 0.00 0.00 174.94 177.52 1wj6 n GLN 55 N -0.55 0.98 -1.17 0.37 0.00 0.42 -4.63 117.38 112.81 1wj6 n GLN 55 Ca 0.01 -3.41 -0.37 0.00 -0.00 0.00 0.00 57.00 53.23 1wj6 n GLN 55 Cb 0.65 -1.49 0.03 0.00 0.00 0.00 0.00 30.24 29.43 1wj6 n GLN 55 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1wj6 n ILE 56 N 0.89 0.33 -3.67 1.69 5.41 -1.26 -3.42 119.36 119.33 1wj6 n ILE 56 Ca 0.23 -0.48 -0.09 0.00 1.00 0.00 0.00 62.75 63.42 1wj6 n ILE 56 Cb 0.57 -0.14 -0.10 0.00 -0.71 0.00 0.00 39.64 39.26 1wj6 n ILE 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1wj6 s LYS 57 N -1.67 0.35 -0.01 0.38 1.02 0.14 -3.81 119.74 116.14 1wj6 s LYS 57 Ca 0.53 1.00 0.02 0.00 0.02 0.00 0.00 55.97 57.54 1wj6 s LYS 57 Cb -0.37 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.18 1wj6 s LYS 57 CO 0.70 -0.23 -0.05 1.52 -0.92 0.00 0.00 175.35 176.38 1wj6 s TYR 58 N 2.33 2.96 -0.10 3.18 -0.85 -0.00 0.18 117.35 125.05 1wj6 s TYR 58 Ca -0.04 0.01 -0.29 0.00 -0.52 0.00 0.00 57.07 56.24 1wj6 s TYR 58 Cb -0.11 -1.64 -0.02 0.00 0.38 0.00 0.00 41.96 40.57 1wj6 s TYR 58 CO -0.13 0.40 0.97 -0.51 -1.52 0.00 0.00 175.55 174.75 1wj6 s LEU 59 N -1.36 4.26 0.00 -3.49 1.43 -0.76 0.80 118.68 119.55 1wj6 s LEU 59 Ca 0.17 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1wj6 s LEU 59 Cb -0.11 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1wj6 s LEU 59 CO 0.07 -0.40 0.00 -0.67 0.23 0.00 0.00 176.35 175.58 1wj6 n ASP 60 N 4.84 0.00 -0.59 2.29 -0.08 -0.99 -4.75 116.55 117.27 1wj6 n ASP 60 Ca 0.07 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.38 1wj6 n ASP 60 Cb 0.49 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.06 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wj6 n GLU 61 N 0.00 1.74 0.00 -0.67 1.02 -1.26 -3.03 120.64 118.45 1wj6 n GLU 61 Ca 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1wj6 n GLU 61 Cb 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1wj6 n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wj6 n GLU 62 N 0.17 -0.80 -1.76 3.49 -0.58 -1.26 -4.98 120.64 114.92 1wj6 n GLU 62 Ca 0.08 -0.42 -0.09 0.00 -0.42 0.00 0.00 57.16 56.30 1wj6 n GLU 62 Cb 0.31 -0.92 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 1wj6 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wj6 n ASN 63 N -0.00 -3.57 -4.53 1.62 4.13 -1.17 -5.00 115.26 106.74 1wj6 n ASN 63 Ca 0.00 0.10 -0.34 0.00 1.68 0.00 0.00 54.58 56.02 1wj6 n ASN 63 Cb 0.04 -2.40 -0.12 0.00 -1.54 0.00 0.00 39.78 35.77 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wj6 s GLU 64 N -3.68 3.74 0.10 3.52 2.02 -1.26 -4.86 118.70 118.29 1wj6 s GLU 64 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 54.97 54.19 1wj6 s GLU 64 Cb 0.00 -3.01 -0.12 0.00 0.10 0.00 0.00 34.13 31.11 1wj6 s GLU 64 CO 0.00 0.23 1.78 0.39 0.02 0.00 0.00 175.26 177.68 1wj6 n GLU 65 N 3.60 2.57 -4.18 1.61 1.02 -1.26 -2.35 120.64 121.65 1wj6 n GLU 65 Ca -0.17 0.93 -0.34 0.00 -0.02 0.00 0.00 57.16 57.56 1wj6 n GLU 65 Cb 0.52 -2.79 -0.15 0.00 -0.02 0.00 0.00 31.44 29.00 1wj6 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wj6 s VAL 66 N 2.45 2.88 -0.10 2.62 1.01 0.24 -4.88 120.40 124.61 1wj6 s VAL 66 Ca 0.82 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 1wj6 s VAL 66 Cb -0.56 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1wj6 s VAL 66 CO 0.39 0.48 0.71 -0.94 0.00 0.00 0.00 175.10 175.74 1wj6 s SER 67 N 1.17 6.93 -0.24 3.32 1.04 -1.26 -0.82 113.70 123.84 1wj6 s SER 67 Ca 0.02 1.13 -0.08 0.00 0.48 0.00 0.00 55.95 57.49 1wj6 s SER 67 Cb -0.14 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1wj6 s SER 67 CO -0.04 -0.18 0.09 -0.63 0.98 0.00 0.00 173.24 173.46 1wj6 s ILE 68 N 1.16 4.62 -0.05 -1.02 1.01 -1.25 -4.92 121.20 120.75 1wj6 s ILE 68 Ca 0.36 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.95 1wj6 s ILE 68 Cb -0.17 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1wj6 s ILE 68 CO 0.16 0.35 -0.04 0.59 0.00 0.00 0.00 174.94 176.00 1wj6 n ASN 69 N 4.66 3.69 -4.74 3.58 3.02 -1.26 -4.81 115.26 119.40 1wj6 n ASN 69 Ca -0.16 -0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.06 1wj6 n ASN 69 Cb 0.52 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1wj6 s SER 70 N -4.33 4.12 0.07 6.41 0.01 -1.26 -4.91 113.70 113.81 1wj6 s SER 70 Ca -0.06 -1.53 -0.26 0.00 1.31 0.00 0.00 55.95 55.42 1wj6 s SER 70 Cb 0.02 0.24 -0.16 0.00 0.21 0.00 0.00 66.02 66.33 1wj6 s SER 70 CO 0.12 -0.76 1.63 -0.61 0.41 0.00 0.00 173.24 174.03 1wj6 h GLN 71 N 1.41 -0.22 -0.96 12.44 4.15 -1.97 -2.75 115.11 127.21 1wj6 h GLN 71 Ca -0.43 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.20 1wj6 h GLN 71 Cb 1.29 0.05 -0.18 0.00 0.21 0.00 0.00 27.48 28.85 1wj6 h GLN 71 CO 0.74 -0.08 -0.20 0.41 -1.93 0.00 0.00 178.83 177.77 1wj6 n GLY 72 N -0.99 -1.56 0.30 2.39 0.00 -1.26 0.18 105.19 104.25 1wj6 n GLY 72 Ca -0.09 1.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 1wj6 n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wj6 h GLU 73 N 0.00 1.04 -0.11 1.61 5.08 -1.90 -2.78 114.58 117.52 1wj6 h GLU 73 Ca 0.48 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1wj6 h GLU 73 Cb 0.77 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wj6 h GLU 73 CO -0.97 0.75 -0.06 -0.92 -1.00 0.00 0.00 179.01 176.81 1wj6 h TYR 74 N 1.04 0.28 -0.42 4.33 3.20 0.22 -2.97 116.97 122.65 1wj6 h TYR 74 Ca 0.27 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1wj6 h TYR 74 Cb 0.00 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 1wj6 h TYR 74 CO -0.00 0.59 -0.33 0.93 -1.64 0.00 0.00 178.16 177.71 1wj6 h GLU 75 N -0.12 -0.09 -0.40 1.82 5.08 0.15 0.46 114.58 121.49 1wj6 h GLU 75 Ca 0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1wj6 h GLU 75 Cb 0.52 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1wj6 h GLU 75 CO 0.02 -0.06 -0.40 0.93 -1.00 0.00 0.00 179.01 178.49 1wj6 h GLU 76 N -0.10 -0.30 -0.96 2.33 4.39 -1.57 0.45 114.58 118.82 1wj6 h GLU 76 Ca 0.07 0.02 0.24 0.00 0.34 0.00 0.00 59.36 60.03 1wj6 h GLU 76 Cb 0.28 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 28.87 1wj6 h GLU 76 CO -0.45 -0.20 0.51 0.00 -1.16 0.00 0.00 179.01 177.71 1wj6 h ALA 77 N 0.50 1.65 -0.13 3.43 0.00 -0.97 1.51 119.26 125.26 1wj6 h ALA 77 Ca 0.15 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1wj6 h ALA 77 Cb 0.58 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wj6 h ALA 77 CO -0.56 -0.31 -0.33 -0.07 0.00 0.00 0.00 179.25 177.98 1wj6 h LEU 78 N 0.50 0.27 -0.44 0.00 3.38 0.40 0.26 115.31 119.68 1wj6 h LEU 78 Ca 0.61 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.32 1wj6 h LEU 78 Cb 1.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1wj6 h LEU 78 CO -0.50 0.59 -0.49 0.11 0.09 0.00 0.00 178.44 178.23 1wj6 h LYS 79 N 0.23 0.75 -0.37 1.13 1.57 0.54 -3.08 116.57 117.35 1wj6 h LYS 79 Ca 0.03 -0.44 -0.17 0.00 -1.87 0.00 0.00 60.65 58.20 1wj6 h LYS 79 Cb 0.69 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1wj6 h LYS 79 CO 0.05 1.07 -0.42 1.98 -0.57 0.00 0.00 179.45 181.55 1wj6 h MET 80 N 0.59 0.93 -0.99 3.15 4.05 0.29 -2.97 114.93 119.97 1wj6 h MET 80 Ca 0.03 -0.51 0.19 0.00 -0.28 0.00 0.00 59.70 59.12 1wj6 h MET 80 Cb 1.06 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.79 1wj6 h MET 80 CO 0.10 1.17 0.61 0.00 0.23 0.00 0.00 176.91 179.02 1wj6 h ALA 81 N 0.76 1.74 -0.78 0.39 0.00 -0.89 0.40 119.26 120.87 1wj6 h ALA 81 Ca 0.05 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1wj6 h ALA 81 Cb 1.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1wj6 h ALA 81 CO 0.10 -0.09 0.48 0.28 0.00 0.00 0.00 179.25 180.02 1wj6 h VAL 82 N 0.73 1.05 -0.20 0.00 2.07 -1.44 0.25 116.25 118.72 1wj6 h VAL 82 Ca 0.56 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 1wj6 h VAL 82 Cb 0.92 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1wj6 h VAL 82 CO -0.35 0.16 0.12 0.11 0.02 0.00 0.00 177.57 177.64 1wj6 h LYS 83 N 0.90 0.27 0.66 1.57 1.57 -0.29 -3.15 116.57 118.10 1wj6 h LYS 83 Ca 0.33 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1wj6 h LYS 83 Cb 0.12 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1wj6 h LYS 83 CO -0.15 0.22 -0.42 1.96 -0.57 0.00 0.00 179.45 180.49 1wj6 h GLN 84 N 0.24 -0.97 0.00 3.15 4.20 -0.39 -3.46 115.11 117.88 1wj6 h GLN 84 Ca 0.07 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1wj6 h GLN 84 Cb 0.02 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1wj6 h GLN 84 CO -0.01 -0.65 0.00 0.41 -0.67 0.00 0.00 178.83 177.91 1wj6 n GLY 85 N -1.53 0.00 2.32 3.46 0.00 0.50 -4.92 105.19 105.04 1wj6 n GLY 85 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1wj6 n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wj6 n ASN 86 N 0.00 -3.93 -3.84 1.61 4.13 0.56 -4.90 115.26 108.89 1wj6 n ASN 86 Ca 0.00 -0.08 -0.10 0.00 1.68 0.00 0.00 54.58 56.08 1wj6 n ASN 86 Cb 0.00 -3.01 -0.08 0.00 -1.54 0.00 0.00 39.78 35.15 1wj6 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wj6 s GLN 87 N -4.84 0.74 -0.03 3.52 1.03 -1.08 0.18 119.66 119.19 1wj6 s GLN 87 Ca 0.07 -0.70 -0.02 0.00 0.04 0.00 0.00 55.36 54.75 1wj6 s GLN 87 Cb -0.03 0.31 0.01 0.00 0.03 0.00 0.00 33.01 33.33 1wj6 s GLN 87 CO 0.09 -0.22 0.07 -1.17 -2.54 0.00 0.00 175.29 171.52 1wj6 s LEU 88 N -2.27 1.55 -0.64 2.60 2.96 0.15 -4.17 118.68 118.85 1wj6 s LEU 88 Ca -0.03 0.15 -0.20 0.00 -0.22 0.00 0.00 54.13 53.83 1wj6 s LEU 88 Cb 0.00 0.22 0.10 0.00 0.50 0.00 0.00 46.19 47.01 1wj6 s LEU 88 CO -0.06 -0.05 0.81 -1.10 -1.32 0.00 0.00 176.35 174.64 1wj6 s GLN 89 N 0.28 3.11 0.08 1.98 1.11 -1.26 -0.03 119.66 124.93 1wj6 s GLN 89 Ca -0.02 -1.23 0.04 0.00 0.01 0.00 0.00 55.36 54.15 1wj6 s GLN 89 Cb -0.03 -4.30 -0.04 0.00 -1.01 0.00 0.00 33.01 27.63 1wj6 s GLN 89 CO -0.01 -1.64 0.04 -1.64 0.01 0.00 0.00 175.29 172.06 1wj6 s MET 90 N 3.04 2.75 -0.10 2.91 -1.94 0.53 -1.83 119.30 124.66 1wj6 s MET 90 Ca 0.16 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 1wj6 s MET 90 Cb -0.20 -2.66 0.02 0.00 2.01 0.00 0.00 34.83 34.00 1wj6 s MET 90 CO 0.06 0.56 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.89 1wj6 s GLN 91 N -2.29 1.60 0.23 2.03 -0.21 0.49 0.99 119.66 122.50 1wj6 s GLN 91 Ca 0.27 -0.30 -0.30 0.00 0.02 0.00 0.00 55.36 55.05 1wj6 s GLN 91 Cb -0.12 -1.56 -0.09 0.00 1.00 0.00 0.00 33.01 32.24 1wj6 s GLN 91 CO 0.20 -0.20 1.19 0.08 -2.12 0.00 0.00 175.29 174.44 1wj6 s VAL 92 N 1.45 3.40 -0.40 1.09 1.01 -1.11 0.29 120.40 126.13 1wj6 s VAL 92 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1wj6 s VAL 92 Cb -0.13 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.58 1wj6 s VAL 92 CO -0.06 0.24 0.23 -1.00 0.00 0.00 0.00 175.10 174.52 1wj6 s HIS 93 N -0.51 1.39 0.27 5.22 3.76 -1.22 -4.36 115.29 119.84 1wj6 s HIS 93 Ca 0.50 -2.06 -0.26 0.00 -0.15 0.00 0.00 55.06 53.09 1wj6 s HIS 93 Cb -0.34 -1.43 -0.16 0.00 1.11 0.00 0.00 32.58 31.77 1wj6 s HIS 93 CO 0.40 -0.80 0.52 -1.91 -0.85 0.00 0.00 174.74 172.10 1wj6 n GLU 94 N 3.76 0.26 0.00 1.40 0.00 -1.26 0.16 120.64 124.96 1wj6 n GLU 94 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.36 1wj6 n GLU 94 Cb 0.36 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.62 1wj6 n GLU 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wj6 n GLY 95 N 1.92 1.03 3.27 8.31 0.00 0.25 -4.65 105.19 115.32 1wj6 n GLY 95 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1wj6 n GLY 95 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj6 n SER 96 N 0.00 -6.37 0.00 1.61 2.88 -1.26 -4.89 113.62 105.60 1wj6 n SER 96 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1wj6 n SER 96 Cb 0.00 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.65 1wj6 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj6 n GLY 97 N -0.04 -1.95 3.71 0.46 0.00 -1.26 -5.12 105.19 100.99 1wj6 n GLY 97 Ca -0.02 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 1wj6 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj6 s PRO 98 N -0.93 4.45 0.62 1.61 0.04 -1.26 -4.80 135.00 134.73 1wj6 s PRO 98 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wj6 s PRO 98 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1wj6 s PRO 98 CO 0.00 -0.23 0.00 0.43 0.04 0.00 0.00 177.00 177.24 1wj6 n SER 99 N 3.91 -8.09 -1.52 6.66 7.64 -1.26 -5.01 113.62 115.96 1wj6 n SER 99 Ca 0.08 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.40 1wj6 n SER 99 Cb 0.47 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.62 1wj6 n SER 99 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wj6 n SER 100 N -4.40 -8.17 0.00 6.43 2.88 -1.26 -5.00 113.62 104.10 1wj6 n SER 100 Ca -0.09 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1wj6 n SER 100 Cb 0.70 -4.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.88 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42