#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 -0.33 0.05 1.61 0.01 -1.26 -5.18 113.70 108.59 1wj6 s SER 2 Ca 0.00 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 1wj6 s SER 2 Cb 0.00 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 1wj6 s SER 2 CO 0.00 -1.10 0.03 -0.55 0.41 0.00 0.00 173.24 172.02 1wj6 s SER 3 N -2.86 0.33 -0.05 2.44 0.15 -1.26 -5.16 113.70 107.30 1wj6 s SER 3 Ca 0.08 -0.77 0.06 0.00 0.70 0.00 0.00 55.95 56.02 1wj6 s SER 3 Cb -0.02 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1wj6 s SER 3 CO -0.03 -0.55 -0.23 -0.83 1.20 0.00 0.00 173.24 172.80 1wj6 s GLY 4 N -2.51 1.33 0.09 9.45 0.00 -1.26 -5.13 107.32 109.29 1wj6 s GLY 4 Ca 0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 1wj6 s GLY 4 CO -0.08 -0.73 0.00 -0.56 0.00 0.00 0.00 173.10 171.74 1wj6 s SER 5 N -0.35 0.46 0.03 1.64 0.01 -1.26 -5.05 113.70 109.18 1wj6 s SER 5 Ca 0.02 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1wj6 s SER 5 Cb -0.12 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1wj6 s SER 5 CO 0.02 -0.65 0.00 -1.20 0.41 0.00 0.00 173.24 171.82 1wj6 n SER 6 N 0.01 -8.62 -4.88 2.44 7.64 -1.26 -4.97 113.62 103.99 1wj6 n SER 6 Ca -0.10 1.78 -0.30 0.00 1.01 0.00 0.00 58.87 61.25 1wj6 n SER 6 Cb 0.62 -4.86 -0.01 0.00 -1.01 0.00 0.00 64.21 58.94 1wj6 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wj6 s GLY 7 N -0.54 1.77 -0.07 0.23 0.00 -1.26 -5.02 107.32 102.42 1wj6 s GLY 7 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 44.72 44.34 1wj6 s GLY 7 CO 0.00 0.02 0.71 -0.56 0.00 0.00 0.00 173.10 173.27 1wj6 h PRO 8 N 0.51 -0.16 -1.75 2.90 0.13 -2.06 -3.45 132.00 128.12 1wj6 h PRO 8 Ca -0.46 0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1wj6 h PRO 8 Cb 1.19 0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.07 1wj6 h PRO 8 CO 0.62 0.28 -0.46 -1.01 -0.23 0.00 0.00 178.00 177.21 1wj6 s HIS 9 N -2.94 -0.95 0.39 1.56 3.76 -1.26 -5.16 115.29 110.70 1wj6 s HIS 9 Ca -0.11 0.90 0.08 0.00 -0.15 0.00 0.00 55.06 55.78 1wj6 s HIS 9 Cb -0.00 0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.72 1wj6 s HIS 9 CO 0.42 -0.77 0.20 0.45 -0.85 0.00 0.00 174.74 174.20 1wj6 s SER 10 N 2.59 4.59 -0.12 1.40 0.15 -1.26 -5.15 113.70 115.90 1wj6 s SER 10 Ca 0.14 -0.94 -0.15 0.00 0.70 0.00 0.00 55.95 55.69 1wj6 s SER 10 Cb -0.15 -0.56 0.04 0.00 -1.71 0.00 0.00 66.02 63.64 1wj6 s SER 10 CO -0.18 -0.50 0.40 -0.32 1.20 0.00 0.00 173.24 173.84 1wj6 s MET 11 N -3.93 0.55 0.00 5.44 1.75 -1.26 -5.05 119.30 116.80 1wj6 s MET 11 Ca 0.41 0.39 0.00 0.00 -1.25 0.00 0.00 55.69 55.24 1wj6 s MET 11 Cb 0.01 0.26 0.00 0.00 2.84 0.00 0.00 34.83 37.94 1wj6 s MET 11 CO 0.23 -0.10 0.00 0.39 -0.65 0.00 0.00 175.02 174.90 1wj6 n GLU 12 N 2.42 0.00 -0.02 4.11 1.02 -1.26 -5.05 120.64 121.87 1wj6 n GLU 12 Ca -0.15 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.83 1wj6 n GLU 12 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.88 1wj6 n GLU 12 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wj6 h PRO 13 N 0.00 0.32 -4.36 3.49 0.13 -1.89 -3.44 132.00 126.25 1wj6 h PRO 13 Ca 0.00 -0.31 -0.45 0.00 -0.87 0.00 0.00 66.00 64.37 1wj6 h PRO 13 Cb 0.00 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 31.14 1wj6 h PRO 13 CO 0.00 0.99 1.49 1.04 -0.23 0.00 0.00 178.00 181.29 1wj6 n GLN 14 N -4.37 0.00 -3.98 0.86 6.02 -1.19 -4.68 117.38 110.04 1wj6 n GLN 14 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.57 1wj6 n GLN 14 Cb 0.57 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.48 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 7.57 5.13 -0.47 5.09 1.01 -0.57 -4.81 120.40 133.35 1wj6 s VAL 15 Ca 1.16 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 1wj6 s VAL 15 Cb -1.10 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 31.96 1wj6 s VAL 15 CO 0.43 0.30 0.39 -0.89 0.00 0.00 0.00 175.10 175.32 1wj6 s THR 16 N -1.31 5.15 -0.67 3.92 2.01 0.51 -0.75 115.64 124.50 1wj6 s THR 16 Ca 0.27 -1.10 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 1wj6 s THR 16 Cb -0.12 -4.08 0.08 0.00 0.01 0.00 0.00 72.50 68.38 1wj6 s THR 16 CO 0.18 -0.58 0.95 -0.76 -0.69 0.00 0.00 174.62 173.73 1wj6 s LEU 17 N 1.62 4.50 -0.57 4.42 1.43 0.24 0.38 118.68 130.70 1wj6 s LEU 17 Ca 0.04 -1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 51.83 1wj6 s LEU 17 Cb -0.24 -2.41 0.05 0.00 0.03 0.00 0.00 46.19 43.62 1wj6 s LEU 17 CO 0.06 -1.40 0.89 0.20 0.23 0.00 0.00 176.35 176.34 1wj6 s ASN 18 N 3.68 6.28 -0.20 2.29 0.01 0.92 -0.64 114.94 127.28 1wj6 s ASN 18 Ca 0.22 -0.62 -0.11 0.00 -0.71 0.00 0.00 52.86 51.64 1wj6 s ASN 18 Cb -0.17 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1wj6 s ASN 18 CO 0.09 -1.23 0.18 -0.69 -1.51 0.00 0.00 177.10 173.94 1wj6 s VAL 19 N 3.75 5.37 -0.40 1.60 1.01 0.17 0.17 120.40 132.07 1wj6 s VAL 19 Ca 0.26 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.54 1wj6 s VAL 19 Cb -0.15 -3.52 0.11 0.00 0.00 0.00 0.00 36.38 32.82 1wj6 s VAL 19 CO 0.16 0.40 0.14 -0.89 0.00 0.00 0.00 175.10 174.90 1wj6 s THR 20 N 0.56 2.63 -0.15 3.92 2.01 0.53 0.16 115.64 125.30 1wj6 s THR 20 Ca 0.10 -2.45 -0.14 0.00 0.31 0.00 0.00 61.69 59.51 1wj6 s THR 20 Cb -0.12 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1wj6 s THR 20 CO 0.01 -0.66 0.30 0.12 -0.69 0.00 0.00 174.62 173.69 1wj6 s PHE 21 N 0.74 3.48 0.00 4.92 5.36 -0.55 -3.10 117.98 128.83 1wj6 s PHE 21 Ca 0.12 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.70 1wj6 s PHE 21 Cb -0.21 -2.33 0.00 0.00 -0.34 0.00 0.00 43.02 40.14 1wj6 s PHE 21 CO -0.06 0.27 0.00 1.63 -1.46 0.00 0.00 175.22 175.60 1wj6 n LYS 22 N 3.45 0.00 0.00 10.12 4.76 -1.26 0.26 118.16 135.48 1wj6 n LYS 22 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1wj6 n LYS 22 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1wj6 n LYS 22 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1wj6 n ASN 23 N 2.87 0.71 -4.95 4.39 2.85 -1.26 -5.07 115.26 114.80 1wj6 n ASN 23 Ca 0.00 -1.32 -0.23 0.00 -0.11 0.00 0.00 54.58 52.92 1wj6 n ASN 23 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 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 -0.32 3.33 -0.05 1.20 0.41 0.73 -5.11 118.70 118.89 1wj6 s GLU 24 Ca 0.00 -0.48 -0.01 0.00 -0.41 0.00 0.00 54.97 54.07 1wj6 s GLU 24 Cb 0.00 -2.67 0.03 0.00 -1.78 0.00 0.00 34.13 29.71 1wj6 s GLU 24 CO 0.00 0.05 0.01 0.42 -0.49 0.00 0.00 175.26 175.25 1wj6 s ILE 25 N -2.34 0.25 0.26 -1.63 1.01 -1.26 -1.48 121.20 116.01 1wj6 s ILE 25 Ca 0.42 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.30 1wj6 s ILE 25 Cb -0.10 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 1wj6 s ILE 25 CO 0.35 0.22 -0.09 -1.10 0.00 0.00 0.00 174.94 174.33 1wj6 s GLN 26 N 1.76 1.50 -0.01 2.79 -0.21 0.42 -4.97 119.66 120.93 1wj6 s GLN 26 Ca 0.01 -1.74 -0.01 0.00 0.02 0.00 0.00 55.36 53.65 1wj6 s GLN 26 Cb -0.13 -1.17 0.01 0.00 1.00 0.00 0.00 33.01 32.73 1wj6 s GLN 26 CO -0.04 0.09 0.03 0.45 -2.12 0.00 0.00 175.29 173.70 1wj6 s SER 27 N -3.41 0.00 -0.10 5.90 0.15 -1.25 0.43 113.70 115.41 1wj6 s SER 27 Ca 0.28 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 1wj6 s SER 27 Cb 0.02 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1wj6 s SER 27 CO 0.11 -0.05 -0.02 -0.36 1.20 0.00 0.00 173.24 174.12 1wj6 s PHE 28 N 0.36 1.01 0.12 3.44 0.40 0.19 -4.92 117.98 118.58 1wj6 s PHE 28 Ca -0.03 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.55 1wj6 s PHE 28 Cb -0.04 -0.99 -0.07 0.00 0.51 0.00 0.00 43.02 42.44 1wj6 s PHE 28 CO -0.01 -0.43 0.87 -1.17 0.70 0.00 0.00 175.22 175.18 1wj6 s LEU 29 N 1.86 4.53 -0.38 -0.37 2.96 -1.26 -0.59 118.68 125.43 1wj6 s LEU 29 Ca 0.04 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1wj6 s LEU 29 Cb -0.13 -3.45 0.11 0.00 0.50 0.00 0.00 46.19 43.23 1wj6 s LEU 29 CO -0.07 0.04 0.14 -0.69 -1.32 0.00 0.00 176.35 174.46 1wj6 s VAL 30 N -0.40 1.60 -0.11 1.68 1.01 0.07 -4.91 120.40 119.34 1wj6 s VAL 30 Ca 0.42 -2.19 0.30 0.00 0.00 0.00 0.00 61.98 60.50 1wj6 s VAL 30 Cb -0.23 -2.16 0.33 0.00 0.00 0.00 0.00 36.38 34.32 1wj6 s VAL 30 CO 0.28 -0.73 1.88 -1.28 0.00 0.00 0.00 175.10 175.25 1wj6 h SER 31 N 7.41 0.00 -2.06 3.32 0.87 -1.86 -1.51 113.55 119.72 1wj6 h SER 31 Ca -0.07 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.92 1wj6 h SER 31 Cb 0.98 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.54 1wj6 h SER 31 CO 0.51 0.00 -1.01 0.47 -0.53 0.00 0.00 176.83 176.27 1wj6 n ASP 32 N -2.69 0.78 0.24 6.23 9.92 -1.26 -4.13 116.55 125.63 1wj6 n ASP 32 Ca 0.01 -2.81 0.14 0.00 -0.53 0.00 0.00 54.79 51.60 1wj6 n ASP 32 Cb 0.24 -0.64 0.41 0.00 -0.64 0.00 0.00 41.12 40.49 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 4.13 0.00 0.00 -0.24 0.13 -1.83 0.11 132.00 134.29 1wj6 h PRO 33 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1wj6 h PRO 33 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1wj6 h PRO 33 CO 0.52 0.05 -1.07 0.39 -0.23 0.00 0.00 178.00 177.67 1wj6 n GLU 34 N -3.13 0.58 -0.08 0.86 1.02 -1.26 -4.39 120.64 114.24 1wj6 n GLU 34 Ca 0.02 0.09 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1wj6 n GLU 34 Cb 0.43 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 1wj6 n GLU 34 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wj6 n ASN 35 N -2.57 1.83 -4.35 1.62 5.15 -1.09 -4.96 115.26 110.88 1wj6 n ASN 35 Ca -0.00 0.58 -0.33 0.00 -0.60 0.00 0.00 54.58 54.23 1wj6 n ASN 35 Cb 0.54 -0.86 0.12 0.00 -0.53 0.00 0.00 39.78 39.05 1wj6 n ASN 35 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1wj6 n THR 36 N -4.58 0.00 -4.12 -0.44 5.66 0.35 -5.00 114.28 106.16 1wj6 n THR 36 Ca -0.10 -0.23 -0.28 0.00 -3.05 0.00 0.00 64.05 60.39 1wj6 n THR 36 Cb 0.33 -0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 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 -2.33 4.22 0.28 1.09 -4.23 -1.26 -4.90 115.64 108.52 1wj6 s THR 37 Ca 0.55 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1wj6 s THR 37 Cb -0.19 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.82 1wj6 s THR 37 CO 0.68 -0.03 1.93 -0.25 -0.54 0.00 0.00 174.62 176.41 1wj6 h TRP 38 N 2.79 1.12 -0.95 3.99 -0.00 -1.91 0.31 115.95 121.31 1wj6 h TRP 38 Ca -0.47 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 58.56 1wj6 h TRP 38 Cb 1.19 -0.37 -0.07 0.00 -0.00 0.00 0.00 29.16 29.90 1wj6 h TRP 38 CO 0.60 0.65 0.61 0.00 -0.00 0.00 0.00 178.44 180.29 1wj6 h ALA 39 N 1.46 1.61 -0.55 2.65 0.00 -1.93 0.65 119.26 123.16 1wj6 h ALA 39 Ca 0.36 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1wj6 h ALA 39 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wj6 h ALA 39 CO -0.11 0.17 -0.01 -0.44 0.00 0.00 0.00 179.25 178.86 1wj6 h ASP 40 N 0.91 0.96 0.45 0.00 5.19 -1.36 -2.07 116.42 120.50 1wj6 h ASP 40 Ca 0.46 -0.31 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1wj6 h ASP 40 Cb 0.49 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1wj6 h ASP 40 CO -0.22 1.04 -0.21 0.40 -3.12 0.00 0.00 179.24 177.12 1wj6 h ILE 41 N 0.85 0.00 -0.94 0.35 1.08 -0.14 0.37 117.51 119.08 1wj6 h ILE 41 Ca 0.15 -0.22 0.24 0.00 -0.39 0.00 0.00 64.86 64.65 1wj6 h ILE 41 Cb 0.55 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.13 1wj6 h ILE 41 CO 0.03 0.00 -0.04 1.21 -0.69 0.00 0.00 178.15 178.66 1wj6 n GLU 42 N -4.21 -0.08 0.11 2.37 2.13 0.20 0.41 120.64 121.57 1wj6 n GLU 42 Ca -0.07 1.43 -0.13 0.00 0.66 0.00 0.00 57.16 59.05 1wj6 n GLU 42 Cb 0.24 -2.23 -0.08 0.00 0.27 0.00 0.00 31.44 29.63 1wj6 n GLU 42 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wj6 h ALA 43 N 1.89 -0.30 -0.88 4.31 0.00 -1.34 -1.24 119.26 121.69 1wj6 h ALA 43 Ca 0.54 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.43 1wj6 h ALA 43 Cb 1.06 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 1wj6 h ALA 43 CO -0.91 -0.46 -0.22 1.98 0.00 0.00 0.00 179.25 179.64 1wj6 h MET 44 N -0.71 -0.00 -0.47 0.00 1.85 0.43 0.77 114.93 116.80 1wj6 h MET 44 Ca -0.03 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.99 1wj6 h MET 44 Cb 0.49 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1wj6 h MET 44 CO 0.05 -0.00 0.02 0.28 -0.40 0.00 0.00 176.91 176.86 1wj6 h VAL 45 N -0.00 1.26 0.15 -5.77 2.07 -0.59 -0.24 116.25 113.13 1wj6 h VAL 45 Ca 0.42 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1wj6 h VAL 45 Cb 0.64 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1wj6 h VAL 45 CO -0.91 0.36 -0.30 0.11 0.02 0.00 0.00 177.57 176.85 1wj6 h LYS 46 N 0.66 -0.47 -0.92 1.57 1.57 0.16 -1.00 116.57 118.15 1wj6 h LYS 46 Ca 0.13 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.10 1wj6 h LYS 46 Cb 0.48 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 1wj6 h LYS 46 CO 0.02 -0.31 0.59 -0.39 -0.57 0.00 0.00 179.45 178.79 1wj6 h VAL 47 N -0.48 0.80 -0.88 0.50 -1.51 -0.43 1.73 116.25 115.98 1wj6 h VAL 47 Ca -0.02 -0.24 0.20 0.00 -1.23 0.00 0.00 66.70 65.42 1wj6 h VAL 47 Cb 0.46 0.06 -0.12 0.00 -2.13 0.00 0.00 31.29 29.56 1wj6 h VAL 47 CO -0.12 0.13 0.40 -1.28 -1.23 0.00 0.00 177.57 175.47 1wj6 h SER 48 N 0.69 0.37 -0.11 4.19 0.87 0.24 0.40 113.55 120.20 1wj6 h SER 48 Ca 0.47 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1wj6 h SER 48 Cb 0.79 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1wj6 h SER 48 CO -0.23 0.05 0.00 0.49 -0.53 0.00 0.00 176.83 176.61 1wj6 n PHE 49 N -5.00 0.12 -3.25 2.24 3.72 0.36 -4.99 117.46 110.66 1wj6 n PHE 49 Ca 0.21 -0.11 -0.15 0.00 -0.05 0.00 0.00 57.45 57.35 1wj6 n PHE 49 Cb 0.60 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.21 1wj6 n PHE 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wj6 n ASP 50 N 0.75 -2.87 -4.63 4.37 -0.08 0.56 -5.01 116.55 109.64 1wj6 n ASP 50 Ca 0.09 -0.58 -0.33 0.00 -1.51 0.00 0.00 54.79 52.47 1wj6 n ASP 50 Cb 0.36 -4.70 -0.10 0.00 2.34 0.00 0.00 41.12 39.03 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1wj6 s LEU 51 N -5.78 3.32 -0.04 -2.67 1.43 0.50 -4.95 118.68 110.49 1wj6 s LEU 51 Ca 0.08 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 1wj6 s LEU 51 Cb -0.01 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 1wj6 s LEU 51 CO 0.66 0.31 0.50 -1.13 0.23 0.00 0.00 176.35 176.93 1wj6 h ASN 52 N 4.71 -0.34 -3.46 2.29 -1.24 -1.95 -3.39 115.58 112.19 1wj6 h ASN 52 Ca -0.49 0.01 -0.46 0.00 0.71 0.00 0.00 56.30 56.08 1wj6 h ASN 52 Cb 1.17 0.09 -0.33 0.00 0.73 0.00 0.00 38.32 39.98 1wj6 h ASN 52 CO 0.55 0.04 -0.79 0.42 -1.29 0.00 0.00 177.43 176.36 1wj6 s THR 53 N -2.87 0.82 0.31 -3.57 -4.23 -1.26 -5.05 115.64 99.79 1wj6 s THR 53 Ca -0.06 -0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1wj6 s THR 53 Cb 0.01 -0.78 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 1wj6 s THR 53 CO 0.18 0.28 0.11 0.27 -0.54 0.00 0.00 174.62 174.92 1wj6 s ILE 54 N 0.75 0.65 -0.40 2.99 -4.36 -1.26 0.17 121.20 119.74 1wj6 s ILE 54 Ca -0.13 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.36 1wj6 s ILE 54 Cb -0.15 -2.60 0.30 0.00 1.25 0.00 0.00 42.46 41.27 1wj6 s ILE 54 CO 0.02 0.00 0.65 1.67 0.24 0.00 0.00 174.94 177.52 1wj6 n GLN 55 N -0.61 0.99 -1.06 0.37 -0.06 0.47 -4.45 117.38 113.03 1wj6 n GLN 55 Ca -0.01 -3.41 -0.36 0.00 -2.00 0.00 0.00 57.00 51.23 1wj6 n GLN 55 Cb 0.66 -1.53 0.03 0.00 -4.06 0.00 0.00 30.24 25.34 1wj6 n GLN 55 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1wj6 n ILE 56 N 0.77 0.00 -3.66 1.69 5.41 -1.25 -3.71 119.36 118.61 1wj6 n ILE 56 Ca 0.24 -0.48 -0.08 0.00 1.00 0.00 0.00 62.75 63.43 1wj6 n ILE 56 Cb 0.59 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.43 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 -1.52 0.38 -0.04 0.38 1.02 0.18 -3.81 119.74 116.33 1wj6 s LYS 57 Ca 0.45 1.05 0.02 0.00 0.02 0.00 0.00 55.97 57.51 1wj6 s LYS 57 Cb -0.30 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.31 1wj6 s LYS 57 CO 0.73 -0.23 -0.06 1.52 -0.92 0.00 0.00 175.35 176.39 1wj6 s TYR 58 N 2.41 2.94 -0.05 3.18 -0.85 0.75 0.19 117.35 125.92 1wj6 s TYR 58 Ca -0.04 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.23 1wj6 s TYR 58 Cb -0.11 -1.68 -0.03 0.00 0.38 0.00 0.00 41.96 40.53 1wj6 s TYR 58 CO -0.14 0.36 1.12 -0.51 -1.52 0.00 0.00 175.55 174.87 1wj6 s LEU 59 N -1.07 4.29 0.00 -3.49 1.43 -0.81 0.18 118.68 119.21 1wj6 s LEU 59 Ca 0.15 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1wj6 s LEU 59 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1wj6 s LEU 59 CO 0.04 -0.50 0.00 -0.67 0.23 0.00 0.00 176.35 175.45 1wj6 n ASP 60 N 4.91 0.00 -0.57 2.29 -0.08 -0.71 -4.77 116.55 117.62 1wj6 n ASP 60 Ca 0.10 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.41 1wj6 n ASP 60 Cb 0.47 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.04 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 1.71 0.00 -0.67 1.02 -1.26 -3.01 120.64 118.43 1wj6 n GLU 61 Ca 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 1wj6 n GLU 61 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.15 -0.04 -1.56 3.49 -0.58 -1.26 -4.98 120.64 115.87 1wj6 n GLU 62 Ca 0.08 -0.61 -0.08 0.00 -0.42 0.00 0.00 57.16 56.12 1wj6 n GLU 62 Cb 0.30 -0.90 -0.03 0.00 -0.57 0.00 0.00 31.44 30.24 1wj6 n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1wj6 n ASN 63 N -0.09 -3.68 -4.53 1.62 5.15 -1.16 -5.00 115.26 107.56 1wj6 n ASN 63 Ca 0.00 0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.77 1wj6 n ASN 63 Cb 0.11 -2.28 -0.11 0.00 -0.53 0.00 0.00 39.78 36.96 1wj6 n ASN 63 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wj6 s GLU 64 N -3.29 3.76 0.17 1.20 2.02 -1.26 -4.84 118.70 116.45 1wj6 s GLU 64 Ca 0.00 -0.46 -0.32 0.00 0.02 0.00 0.00 54.97 54.21 1wj6 s GLU 64 Cb 0.00 -3.09 -0.12 0.00 0.10 0.00 0.00 34.13 31.02 1wj6 s GLU 64 CO 0.00 0.16 1.71 0.39 0.02 0.00 0.00 175.26 177.55 1wj6 n GLU 65 N 3.81 2.58 -4.06 1.61 1.02 -1.26 -1.73 120.64 122.61 1wj6 n GLU 65 Ca -0.17 0.93 -0.33 0.00 -0.02 0.00 0.00 57.16 57.57 1wj6 n GLU 65 Cb 0.52 -2.77 -0.15 0.00 -0.02 0.00 0.00 31.44 29.02 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 1.53 2.39 -0.03 2.62 1.01 0.49 -4.84 120.40 123.56 1wj6 s VAL 66 Ca 0.78 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1wj6 s VAL 66 Cb -0.56 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1wj6 s VAL 66 CO 0.36 0.46 0.67 -0.94 0.00 0.00 0.00 175.10 175.64 1wj6 s SER 67 N 1.32 7.00 -0.22 3.32 1.04 -1.26 -0.17 113.70 124.73 1wj6 s SER 67 Ca 0.04 1.20 -0.09 0.00 0.48 0.00 0.00 55.95 57.58 1wj6 s SER 67 Cb -0.14 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1wj6 s SER 67 CO -0.10 -0.02 0.11 -0.63 0.98 0.00 0.00 173.24 173.58 1wj6 s ILE 68 N 0.36 5.02 -0.06 -1.02 1.01 -1.25 -4.93 121.20 120.33 1wj6 s ILE 68 Ca 0.35 0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.07 1wj6 s ILE 68 Cb -0.18 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1wj6 s ILE 68 CO 0.18 0.39 -0.04 0.59 0.00 0.00 0.00 174.94 176.06 1wj6 n ASN 69 N 4.07 3.58 -4.70 3.58 3.02 -1.26 -4.82 115.26 118.74 1wj6 n ASN 69 Ca -0.16 -0.03 -0.32 0.00 -0.03 0.00 0.00 54.58 54.04 1wj6 n ASN 69 Cb 0.52 0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.65 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 -4.40 4.01 0.03 6.41 0.01 -1.26 -4.90 113.70 113.59 1wj6 s SER 70 Ca -0.07 -1.66 -0.28 0.00 1.31 0.00 0.00 55.95 55.25 1wj6 s SER 70 Cb 0.02 0.52 -0.17 0.00 0.21 0.00 0.00 66.02 66.60 1wj6 s SER 70 CO 0.15 -0.86 1.35 -0.61 0.41 0.00 0.00 173.24 173.68 1wj6 h GLN 71 N 1.39 -0.67 -0.93 12.44 5.75 -1.97 -2.84 115.11 128.28 1wj6 h GLN 71 Ca -0.43 0.05 0.33 0.00 -0.15 0.00 0.00 58.65 58.45 1wj6 h GLN 71 Cb 1.31 0.15 -0.17 0.00 1.07 0.00 0.00 27.48 29.84 1wj6 h GLN 71 CO 0.73 -0.37 0.29 0.41 -2.65 0.00 0.00 178.83 177.23 1wj6 n GLY 72 N -0.81 -0.95 0.12 2.39 0.00 -1.26 0.17 105.19 104.86 1wj6 n GLY 72 Ca -0.11 0.82 -0.11 0.00 0.00 0.00 0.00 46.02 46.62 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 0.32 0.03 1.61 5.08 -1.93 -2.94 114.58 116.75 1wj6 h GLU 73 Ca 0.69 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1wj6 h GLU 73 Cb 1.68 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1wj6 h GLU 73 CO -0.79 0.38 -0.01 -0.92 -1.00 0.00 0.00 179.01 176.67 1wj6 h TYR 74 N 0.18 -0.04 -0.46 4.33 3.20 0.20 -2.87 116.97 121.52 1wj6 h TYR 74 Ca 0.07 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1wj6 h TYR 74 Cb 0.19 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 1wj6 h TYR 74 CO -0.01 0.15 -0.27 0.39 -1.64 0.00 0.00 178.16 176.79 1wj6 n GLU 75 N -5.02 -0.20 -0.15 1.82 1.02 0.15 0.56 120.64 118.83 1wj6 n GLU 75 Ca -0.08 1.20 -0.08 0.00 -0.02 0.00 0.00 57.16 58.18 1wj6 n GLU 75 Cb 0.13 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 29.75 1wj6 n GLU 75 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wj6 h GLU 76 N 0.00 -0.25 -0.94 3.49 4.39 -1.54 0.50 114.58 120.23 1wj6 h GLU 76 Ca 0.07 0.02 0.21 0.00 0.34 0.00 0.00 59.36 60.00 1wj6 h GLU 76 Cb 0.19 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 28.78 1wj6 h GLU 76 CO -0.43 -0.17 0.50 0.00 -1.16 0.00 0.00 179.01 177.76 1wj6 h ALA 77 N 0.67 1.57 -0.25 3.43 0.00 -0.60 1.06 119.26 125.14 1wj6 h ALA 77 Ca 0.17 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1wj6 h ALA 77 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1wj6 h ALA 77 CO -0.60 -0.23 -0.22 -0.07 0.00 0.00 0.00 179.25 178.13 1wj6 h LEU 78 N 0.55 0.46 -0.50 0.00 3.38 0.46 -0.26 115.31 119.40 1wj6 h LEU 78 Ca 0.58 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.29 1wj6 h LEU 78 Cb 1.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1wj6 h LEU 78 CO -0.46 0.68 -0.11 0.11 0.09 0.00 0.00 178.44 178.75 1wj6 h LYS 79 N 0.41 0.96 -0.42 1.13 1.57 0.47 -2.99 116.57 117.70 1wj6 h LYS 79 Ca 0.07 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.40 1wj6 h LYS 79 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1wj6 h LYS 79 CO 0.04 1.03 -0.07 1.98 -0.57 0.00 0.00 179.45 181.86 1wj6 h MET 80 N 0.82 0.79 -0.95 3.15 4.05 -0.04 -2.85 114.93 119.90 1wj6 h MET 80 Ca 0.13 -0.29 0.22 0.00 -0.28 0.00 0.00 59.70 59.48 1wj6 h MET 80 Cb 0.67 -0.05 -0.12 0.00 -0.80 0.00 0.00 31.60 31.30 1wj6 h MET 80 CO 0.05 0.90 0.51 0.00 0.23 0.00 0.00 176.91 178.60 1wj6 h ALA 81 N 0.87 1.59 -0.78 0.39 0.00 -0.93 0.62 119.26 121.01 1wj6 h ALA 81 Ca 0.11 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1wj6 h ALA 81 Cb 0.59 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1wj6 h ALA 81 CO 0.04 -0.25 0.45 0.28 0.00 0.00 0.00 179.25 179.77 1wj6 h VAL 82 N 0.55 0.93 -0.20 0.00 2.07 -1.36 0.66 116.25 118.89 1wj6 h VAL 82 Ca 0.58 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.86 1wj6 h VAL 82 Cb 1.06 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1wj6 h VAL 82 CO -0.47 0.14 0.07 0.11 0.02 0.00 0.00 177.57 177.44 1wj6 h LYS 83 N 0.77 0.17 0.31 1.57 1.57 0.21 -3.14 116.57 118.02 1wj6 h LYS 83 Ca 0.37 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1wj6 h LYS 83 Cb 0.31 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wj6 h LYS 83 CO -0.23 0.11 -0.22 1.96 -0.57 0.00 0.00 179.45 180.50 1wj6 h GLN 84 N 0.17 -0.49 0.00 3.15 4.20 -0.45 -3.46 115.11 118.23 1wj6 h GLN 84 Ca 0.08 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1wj6 h GLN 84 Cb 0.05 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1wj6 h GLN 84 CO -0.08 -0.33 0.00 0.41 -0.67 0.00 0.00 178.83 178.16 1wj6 n GLY 85 N -1.27 0.00 2.28 3.46 0.00 0.06 -4.93 105.19 104.80 1wj6 n GLY 85 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.81 -3.85 1.61 4.13 -0.27 -4.90 115.26 108.16 1wj6 n ASN 86 Ca 0.00 -0.05 -0.10 0.00 1.68 0.00 0.00 54.58 56.11 1wj6 n ASN 86 Cb 0.00 -2.95 -0.08 0.00 -1.54 0.00 0.00 39.78 35.22 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 -4.73 0.77 -0.05 3.52 1.03 -1.13 0.19 119.66 119.26 1wj6 s GLN 87 Ca 0.04 -0.80 -0.04 0.00 0.04 0.00 0.00 55.36 54.61 1wj6 s GLN 87 Cb -0.02 0.31 0.02 0.00 0.03 0.00 0.00 33.01 33.35 1wj6 s GLN 87 CO 0.06 -0.23 0.12 -1.17 -2.54 0.00 0.00 175.29 171.52 1wj6 s LEU 88 N -2.47 1.38 -0.67 2.60 2.96 0.16 -4.23 118.68 118.41 1wj6 s LEU 88 Ca -0.00 0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.96 1wj6 s LEU 88 Cb 0.02 0.38 0.11 0.00 0.50 0.00 0.00 46.19 47.20 1wj6 s LEU 88 CO -0.07 -0.06 0.82 -1.10 -1.32 0.00 0.00 176.35 174.61 1wj6 s GLN 89 N 0.30 3.17 0.15 1.98 1.11 -1.26 -0.06 119.66 125.06 1wj6 s GLN 89 Ca -0.02 -1.37 0.04 0.00 0.01 0.00 0.00 55.36 54.02 1wj6 s GLN 89 Cb -0.03 -4.36 -0.04 0.00 -1.01 0.00 0.00 33.01 27.57 1wj6 s GLN 89 CO -0.01 -1.61 0.16 -1.64 0.01 0.00 0.00 175.29 172.20 1wj6 s MET 90 N 2.77 3.02 -0.08 2.91 -1.94 0.45 -1.92 119.30 124.51 1wj6 s MET 90 Ca 0.17 -0.79 -0.00 0.00 -1.71 0.00 0.00 55.69 53.35 1wj6 s MET 90 Cb -0.19 -2.72 0.02 0.00 2.01 0.00 0.00 34.83 33.95 1wj6 s MET 90 CO 0.04 0.50 -0.05 -0.65 -0.01 0.00 0.00 175.02 174.85 1wj6 s GLN 91 N -3.07 1.08 0.28 2.03 1.11 0.51 -0.34 119.66 121.25 1wj6 s GLN 91 Ca 0.32 -0.11 -0.29 0.00 0.01 0.00 0.00 55.36 55.28 1wj6 s GLN 91 Cb -0.10 -1.20 -0.09 0.00 -1.01 0.00 0.00 33.01 30.61 1wj6 s GLN 91 CO 0.24 -0.21 1.16 0.08 0.01 0.00 0.00 175.29 176.57 1wj6 s VAL 92 N 1.52 3.34 -0.37 1.09 1.01 -1.18 0.49 120.40 126.29 1wj6 s VAL 92 Ca -0.01 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.29 1wj6 s VAL 92 Cb -0.13 -3.83 0.14 0.00 0.00 0.00 0.00 36.38 32.55 1wj6 s VAL 92 CO -0.04 0.30 0.22 -1.00 0.00 0.00 0.00 175.10 174.58 1wj6 s HIS 93 N -0.98 1.04 0.41 5.22 3.76 -1.24 -4.55 115.29 118.93 1wj6 s HIS 93 Ca 0.47 -1.83 -0.22 0.00 -0.15 0.00 0.00 55.06 53.32 1wj6 s HIS 93 Cb -0.34 -1.15 -0.14 0.00 1.11 0.00 0.00 32.58 32.06 1wj6 s HIS 93 CO 0.43 -0.82 0.33 0.39 -0.85 0.00 0.00 174.74 174.22 1wj6 n GLU 94 N 3.89 0.28 -0.01 1.40 -0.58 -1.26 0.18 120.64 124.54 1wj6 n GLU 94 Ca 0.12 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1wj6 n GLU 94 Cb 0.37 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1wj6 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wj6 n GLY 95 N 2.05 -1.70 0.13 0.62 0.00 0.45 -4.63 105.19 102.11 1wj6 n GLY 95 Ca 0.12 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1wj6 n GLY 95 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wj6 h SER 96 N 0.00 -0.18 0.00 1.61 0.87 -1.78 -3.31 113.55 110.77 1wj6 h SER 96 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1wj6 h SER 96 Cb 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1wj6 h SER 96 CO 0.00 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 1wj6 n GLY 97 N 0.85 -1.61 3.79 5.77 0.00 -1.26 -4.88 105.19 107.85 1wj6 n GLY 97 Ca -0.07 0.77 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.99 -0.21 1.61 0.04 -1.26 -5.09 135.00 131.08 1wj6 s PRO 98 Ca 0.00 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.15 1wj6 s PRO 98 Cb 0.00 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.78 1wj6 s PRO 98 CO 0.00 -2.29 0.51 -1.12 0.04 0.00 0.00 177.00 174.15 1wj6 s SER 99 N -4.08 -0.67 0.12 6.66 0.01 -1.26 -5.13 113.70 109.35 1wj6 s SER 99 Ca 0.65 1.12 -0.33 0.00 1.31 0.00 0.00 55.95 58.70 1wj6 s SER 99 Cb -0.14 1.00 -0.18 0.00 0.21 0.00 0.00 66.02 66.91 1wj6 s SER 99 CO 0.53 -0.21 0.79 -0.24 0.41 0.00 0.00 173.24 174.53 1wj6 n SER 100 N 4.24 -0.54 -0.20 2.44 2.88 -1.26 -5.33 113.62 115.85 1wj6 n SER 100 Ca -0.22 1.14 0.03 0.00 -1.33 0.00 0.00 58.87 58.49 1wj6 n SER 100 Cb 0.57 -0.96 0.02 0.00 -0.75 0.00 0.00 64.21 63.09 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42