#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 -0.43 -0.24 1.61 0.15 -1.26 -5.16 113.70 108.37 1wj6 s SER 2 Ca 0.00 0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.60 1wj6 s SER 2 Cb 0.00 1.30 0.07 0.00 -1.71 0.00 0.00 66.02 65.67 1wj6 s SER 2 CO 0.00 -0.08 0.60 -0.55 1.20 0.00 0.00 173.24 174.41 1wj6 s SER 3 N 2.96 -0.75 0.34 5.45 0.15 -1.26 -5.18 113.70 115.41 1wj6 s SER 3 Ca 0.19 1.28 0.03 0.00 0.70 0.00 0.00 55.95 58.14 1wj6 s SER 3 Cb -0.04 1.20 0.03 0.00 -1.71 0.00 0.00 66.02 65.49 1wj6 s SER 3 CO -0.19 -0.22 0.22 0.61 1.20 0.00 0.00 173.24 174.86 1wj6 n GLY 4 N 3.81 2.97 3.85 9.45 0.00 -1.26 -5.14 105.19 118.86 1wj6 n GLY 4 Ca -0.19 -2.26 -0.27 0.00 0.00 0.00 0.00 46.02 43.31 1wj6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wj6 s SER 5 N -2.96 5.83 -0.19 1.61 1.04 -1.26 -5.05 113.70 112.71 1wj6 s SER 5 Ca 0.17 -0.00 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1wj6 s SER 5 Cb -0.01 -1.62 -0.07 0.00 0.10 0.00 0.00 66.02 64.42 1wj6 s SER 5 CO 0.11 0.08 -0.33 -1.20 0.98 0.00 0.00 173.24 172.88 1wj6 n SER 6 N -0.33 1.93 0.00 7.02 7.64 -1.26 -5.14 113.62 123.49 1wj6 n SER 6 Ca -0.08 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wj6 n SER 6 Cb 0.54 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1wj6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj6 n GLY 7 N 1.45 1.35 3.63 0.23 0.00 -1.26 -4.92 105.19 105.68 1wj6 n GLY 7 Ca -0.18 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1wj6 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj6 s PRO 8 N -2.71 3.93 -0.30 1.61 0.04 -1.26 -4.97 135.00 131.34 1wj6 s PRO 8 Ca 0.00 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 1wj6 s PRO 8 Cb 0.00 -3.89 0.10 0.00 0.04 0.00 0.00 34.50 30.75 1wj6 s PRO 8 CO 0.00 -1.11 0.12 -3.38 0.04 0.00 0.00 177.00 172.68 1wj6 s HIS 9 N 4.40 0.67 -0.09 0.56 -3.43 -1.26 -4.99 115.29 111.15 1wj6 s HIS 9 Ca 0.58 -1.10 -0.03 0.00 -0.80 0.00 0.00 55.06 53.72 1wj6 s HIS 9 Cb -0.18 -1.11 0.01 0.00 -1.43 0.00 0.00 32.58 29.87 1wj6 s HIS 9 CO 0.23 -0.84 0.05 -1.13 -2.00 0.00 0.00 174.74 171.05 1wj6 n SER 10 N 5.15 -5.88 -4.87 7.38 3.41 -1.26 -5.01 113.62 112.54 1wj6 n SER 10 Ca -0.05 0.97 -0.23 0.00 -0.26 0.00 0.00 58.87 59.30 1wj6 n SER 10 Cb 0.42 -2.99 -0.03 0.00 -0.26 0.00 0.00 64.21 61.35 1wj6 n SER 10 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1wj6 s MET 11 N -0.70 2.39 0.28 4.33 -1.94 -1.26 -5.14 119.30 117.26 1wj6 s MET 11 Ca -0.06 -1.73 0.06 0.00 -1.71 0.00 0.00 55.69 52.25 1wj6 s MET 11 Cb 0.00 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.57 1wj6 s MET 11 CO 0.30 -0.33 0.31 -1.21 -0.01 0.00 0.00 175.02 174.08 1wj6 s GLU 12 N -4.16 3.07 0.01 2.03 8.01 -1.26 -5.04 118.70 121.36 1wj6 s GLU 12 Ca 0.44 -1.01 -0.20 0.00 0.01 0.00 0.00 54.97 54.21 1wj6 s GLU 12 Cb -0.02 -2.69 -0.22 0.00 -4.31 0.00 0.00 34.13 26.90 1wj6 s GLU 12 CO 0.26 0.29 1.13 -1.00 0.01 0.00 0.00 175.26 175.95 1wj6 h PRO 13 N 1.25 0.41 -4.57 0.39 0.13 -1.89 -3.44 132.00 124.28 1wj6 h PRO 13 Ca -0.48 -0.40 -0.48 0.00 -0.87 0.00 0.00 66.00 63.77 1wj6 h PRO 13 Cb 1.24 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.40 1wj6 h PRO 13 CO 0.59 1.05 1.49 1.04 -0.23 0.00 0.00 178.00 181.95 1wj6 n GLN 14 N -4.27 0.00 -4.08 0.86 6.02 -1.18 -4.63 117.38 110.10 1wj6 n GLN 14 Ca -0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.57 1wj6 n GLN 14 Cb 0.62 -1.33 -0.07 0.00 1.02 0.00 0.00 30.24 30.49 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 7.52 4.68 -0.46 5.09 1.01 -0.74 -4.81 120.40 132.69 1wj6 s VAL 15 Ca 1.18 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1wj6 s VAL 15 Cb -1.15 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1wj6 s VAL 15 CO 0.46 0.28 0.45 -0.89 0.00 0.00 0.00 175.10 175.40 1wj6 s THR 16 N -1.26 5.11 -0.63 3.92 2.01 0.54 -0.77 115.64 124.56 1wj6 s THR 16 Ca 0.25 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 1wj6 s THR 16 Cb -0.12 -4.13 0.09 0.00 0.01 0.00 0.00 72.50 68.35 1wj6 s THR 16 CO 0.17 -0.57 0.83 -0.76 -0.69 0.00 0.00 174.62 173.60 1wj6 s LEU 17 N 2.02 4.92 -0.71 4.42 1.43 -0.16 0.97 118.68 131.56 1wj6 s LEU 17 Ca 0.09 -1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 51.73 1wj6 s LEU 17 Cb -0.21 -2.36 0.07 0.00 0.03 0.00 0.00 46.19 43.73 1wj6 s LEU 17 CO 0.10 -1.27 1.02 0.20 0.23 0.00 0.00 176.35 176.64 1wj6 s ASN 18 N 3.65 6.24 -0.04 2.29 0.01 0.17 -0.61 114.94 126.66 1wj6 s ASN 18 Ca 0.17 -1.11 -0.17 0.00 -0.71 0.00 0.00 52.86 51.03 1wj6 s ASN 18 Cb -0.21 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1wj6 s ASN 18 CO 0.08 -1.42 0.48 -0.69 -1.51 0.00 0.00 177.10 174.03 1wj6 s VAL 19 N 4.04 5.04 -0.32 1.60 1.01 0.56 0.16 120.40 132.48 1wj6 s VAL 19 Ca 0.25 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.24 1wj6 s VAL 19 Cb -0.14 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 32.52 1wj6 s VAL 19 CO 0.07 0.45 0.04 -0.89 0.00 0.00 0.00 175.10 174.77 1wj6 s THR 20 N -0.27 1.86 -0.41 3.92 2.01 0.19 0.13 115.64 123.06 1wj6 s THR 20 Ca 0.26 -1.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.14 1wj6 s THR 20 Cb -0.17 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.04 1wj6 s THR 20 CO 0.13 -0.53 0.38 0.12 -0.69 0.00 0.00 174.62 174.04 1wj6 s PHE 21 N 1.13 3.20 0.00 4.92 5.36 0.17 -1.38 117.98 131.38 1wj6 s PHE 21 Ca 0.08 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1wj6 s PHE 21 Cb -0.19 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1wj6 s PHE 21 CO -0.12 -0.65 0.00 1.63 -1.46 0.00 0.00 175.22 174.62 1wj6 n LYS 22 N 5.43 0.00 0.00 10.12 5.02 -1.26 0.71 118.16 138.18 1wj6 n LYS 22 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1wj6 n LYS 22 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 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 5.32 1.07 -4.88 4.39 2.85 -1.26 -5.03 115.26 117.71 1wj6 n ASN 23 Ca 0.00 -1.25 -0.34 0.00 -0.11 0.00 0.00 54.58 52.88 1wj6 n ASN 23 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1wj6 n ASN 23 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1wj6 s GLU 24 N -0.25 3.64 -0.06 1.20 2.12 0.22 -5.09 118.70 120.48 1wj6 s GLU 24 Ca 0.00 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.35 1wj6 s GLU 24 Cb 0.00 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.39 1wj6 s GLU 24 CO 0.00 0.58 -0.14 0.42 -0.54 0.00 0.00 175.26 175.58 1wj6 s ILE 25 N -1.41 1.27 0.27 -3.70 1.01 -1.26 0.41 121.20 117.79 1wj6 s ILE 25 Ca 0.32 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1wj6 s ILE 25 Cb -0.13 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 1wj6 s ILE 25 CO 0.19 0.38 0.08 -1.10 0.00 0.00 0.00 174.94 174.49 1wj6 s GLN 26 N 0.52 1.47 -0.02 2.79 -0.21 0.34 -4.98 119.66 119.57 1wj6 s GLN 26 Ca -0.13 -1.80 -0.01 0.00 0.02 0.00 0.00 55.36 53.45 1wj6 s GLN 26 Cb -0.15 -0.43 0.02 0.00 1.00 0.00 0.00 33.01 33.45 1wj6 s GLN 26 CO 0.04 -0.26 0.04 0.45 -2.12 0.00 0.00 175.29 173.44 1wj6 s SER 27 N -3.36 0.01 -0.14 5.90 0.15 -1.25 -0.32 113.70 114.68 1wj6 s SER 27 Ca 0.37 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 1wj6 s SER 27 Cb 0.08 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1wj6 s SER 27 CO 0.14 -0.07 -0.02 -0.36 1.20 0.00 0.00 173.24 174.13 1wj6 s PHE 28 N 0.57 1.21 0.22 3.44 0.08 0.23 -4.92 117.98 118.80 1wj6 s PHE 28 Ca -0.05 -0.73 -0.30 0.00 0.12 0.00 0.00 56.93 55.97 1wj6 s PHE 28 Cb -0.07 -1.08 -0.08 0.00 -0.57 0.00 0.00 43.02 41.22 1wj6 s PHE 28 CO -0.02 -0.52 1.01 -1.17 -0.10 0.00 0.00 175.22 174.42 1wj6 s LEU 29 N 1.80 4.57 -0.43 -0.37 2.96 -1.26 -0.99 118.68 124.96 1wj6 s LEU 29 Ca 0.02 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.99 1wj6 s LEU 29 Cb -0.15 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 43.06 1wj6 s LEU 29 CO -0.07 -0.02 0.20 -0.69 -1.32 0.00 0.00 176.35 174.45 1wj6 s VAL 30 N -0.81 1.76 -0.82 1.68 1.01 0.05 -4.90 120.40 118.37 1wj6 s VAL 30 Ca 0.44 -2.59 0.14 0.00 0.00 0.00 0.00 61.98 59.96 1wj6 s VAL 30 Cb -0.28 -2.25 0.13 0.00 0.00 0.00 0.00 36.38 33.98 1wj6 s VAL 30 CO 0.34 -0.81 1.42 -0.24 0.00 0.00 0.00 175.10 175.82 1wj6 n SER 31 N 3.67 0.19 -3.21 3.32 2.88 -1.26 -1.80 113.62 117.41 1wj6 n SER 31 Ca 0.06 0.56 -0.23 0.00 -1.33 0.00 0.00 58.87 57.92 1wj6 n SER 31 Cb 0.36 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 1wj6 n SER 31 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wj6 n ASP 32 N -1.72 -0.38 0.23 -3.46 5.75 -1.26 -4.19 116.55 111.51 1wj6 n ASP 32 Ca 0.02 -2.63 0.14 0.00 -0.01 0.00 0.00 54.79 52.31 1wj6 n ASP 32 Cb 0.13 -0.36 0.44 0.00 -1.03 0.00 0.00 41.12 40.29 1wj6 n ASP 32 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1wj6 h PRO 33 N 4.57 0.00 0.07 0.11 0.13 -1.81 -0.04 132.00 135.03 1wj6 h PRO 33 Ca 0.12 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.88 1wj6 h PRO 33 Cb 0.91 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 1wj6 h PRO 33 CO 0.41 0.00 -2.15 0.39 -0.23 0.00 0.00 178.00 176.41 1wj6 n GLU 34 N -2.96 0.71 0.07 0.86 -0.58 -1.26 -4.45 120.64 113.03 1wj6 n GLU 34 Ca 0.03 0.21 -0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1wj6 n GLU 34 Cb 0.40 -1.64 -0.08 0.00 -0.57 0.00 0.00 31.44 29.54 1wj6 n GLU 34 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1wj6 h ASN 35 N 0.04 -0.19 -3.61 1.62 -0.73 -1.94 -3.45 115.58 107.32 1wj6 h ASN 35 Ca -0.47 -0.34 -0.49 0.00 1.87 0.00 0.00 56.30 56.87 1wj6 h ASN 35 Cb 2.00 0.05 0.21 0.00 0.27 0.00 0.00 38.32 40.85 1wj6 h ASN 35 CO 0.03 0.31 -0.10 1.07 -0.37 0.00 0.00 177.43 178.37 1wj6 n THR 36 N -4.96 0.00 -4.33 -3.57 5.66 -0.03 -5.03 114.28 102.02 1wj6 n THR 36 Ca -0.08 -0.21 -0.27 0.00 -3.05 0.00 0.00 64.05 60.44 1wj6 n THR 36 Cb 0.26 -0.91 -0.10 0.00 -1.55 0.00 0.00 70.33 68.04 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 -2.49 2.99 0.30 1.09 -4.23 -1.26 -4.89 115.64 107.15 1wj6 s THR 37 Ca 0.65 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1wj6 s THR 37 Cb -0.23 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.41 1wj6 s THR 37 CO 0.63 -0.13 1.90 -0.25 -0.54 0.00 0.00 174.62 176.23 1wj6 h TRP 38 N 2.90 1.07 -0.72 3.99 -0.00 -1.90 0.24 115.95 121.54 1wj6 h TRP 38 Ca -0.46 0.03 0.13 0.00 -0.00 0.00 0.00 58.89 58.58 1wj6 h TRP 38 Cb 1.21 -0.35 -0.05 0.00 -0.00 0.00 0.00 29.16 29.97 1wj6 h TRP 38 CO 0.67 0.56 0.48 0.00 -0.00 0.00 0.00 178.44 180.14 1wj6 h ALA 39 N 1.50 2.04 -0.15 2.65 0.00 -1.92 0.80 119.26 124.18 1wj6 h ALA 39 Ca 0.40 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.09 1wj6 h ALA 39 Cb 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wj6 h ALA 39 CO -0.15 -0.22 -0.74 -0.44 0.00 0.00 0.00 179.25 177.70 1wj6 h ASP 40 N 0.46 0.91 0.66 0.00 5.19 -0.96 -2.95 116.42 119.72 1wj6 h ASP 40 Ca 0.34 -0.63 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 1wj6 h ASP 40 Cb 0.71 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.96 1wj6 h ASP 40 CO -0.11 1.39 -0.32 0.40 -3.12 0.00 0.00 179.24 177.49 1wj6 h ILE 41 N 0.49 0.09 -0.16 0.35 1.08 0.19 -1.58 117.51 117.97 1wj6 h ILE 41 Ca -0.05 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1wj6 h ILE 41 Cb 1.38 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1wj6 h ILE 41 CO 0.15 0.01 -0.10 1.21 -0.69 0.00 0.00 178.15 178.74 1wj6 n GLU 42 N -5.38 -0.07 -0.13 2.37 2.13 0.25 -0.62 120.64 119.20 1wj6 n GLU 42 Ca -0.12 1.04 -0.12 0.00 0.66 0.00 0.00 57.16 58.62 1wj6 n GLU 42 Cb 0.36 -1.55 -0.08 0.00 0.27 0.00 0.00 31.44 30.45 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 -0.71 -0.64 -0.80 4.31 0.00 -1.60 0.33 119.26 120.14 1wj6 h ALA 43 Ca 0.03 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1wj6 h ALA 43 Cb 0.07 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 1wj6 h ALA 43 CO -0.15 -0.98 -0.47 -0.12 0.00 0.00 0.00 179.25 177.53 1wj6 n MET 44 N -5.40 -0.35 -0.23 0.00 0.00 -0.07 0.13 117.12 111.20 1wj6 n MET 44 Ca -0.02 1.28 -0.04 0.00 -0.00 0.00 0.00 57.70 58.91 1wj6 n MET 44 Cb 0.35 -1.88 0.07 0.00 0.00 0.00 0.00 33.22 31.76 1wj6 n MET 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1wj6 h VAL 45 N 0.00 1.10 0.32 1.12 2.07 0.17 0.49 116.25 121.52 1wj6 h VAL 45 Ca 0.13 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1wj6 h VAL 45 Cb 0.33 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1wj6 h VAL 45 CO -0.76 0.15 -0.37 0.11 0.02 0.00 0.00 177.57 176.72 1wj6 h LYS 46 N 0.82 -0.68 -0.92 1.57 1.57 0.47 -1.37 116.57 118.03 1wj6 h LYS 46 Ca 0.26 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 1wj6 h LYS 46 Cb 0.00 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 1wj6 h LYS 46 CO -0.10 -0.45 0.55 -0.39 -0.57 0.00 0.00 179.45 178.49 1wj6 h VAL 47 N -0.70 0.89 -0.95 0.50 -1.51 0.13 1.55 116.25 116.17 1wj6 h VAL 47 Ca -0.04 -0.30 0.27 0.00 -1.23 0.00 0.00 66.70 65.40 1wj6 h VAL 47 Cb 0.62 -0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.68 1wj6 h VAL 47 CO -0.07 0.16 0.67 0.28 -1.23 0.00 0.00 177.57 177.38 1wj6 h SER 48 N 0.88 0.08 0.00 4.19 0.02 0.73 0.13 113.55 119.58 1wj6 h SER 48 Ca 0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1wj6 h SER 48 Cb 0.46 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1wj6 h SER 48 CO -0.27 0.03 -0.10 0.49 -1.14 0.00 0.00 176.83 175.84 1wj6 n PHE 49 N -4.31 0.00 -3.28 3.45 3.72 0.93 -5.04 117.46 112.93 1wj6 n PHE 49 Ca 0.20 -0.72 -0.35 0.00 -0.05 0.00 0.00 57.45 56.53 1wj6 n PHE 49 Cb 0.97 -0.11 0.04 0.00 -0.94 0.00 0.00 39.48 39.43 1wj6 n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wj6 n ASP 50 N -1.01 -4.99 -4.05 4.37 9.92 0.49 -4.97 116.55 116.32 1wj6 n ASP 50 Ca 0.11 -0.14 -0.19 0.00 -0.53 0.00 0.00 54.79 54.03 1wj6 n ASP 50 Cb 0.60 -1.45 -0.15 0.00 -0.64 0.00 0.00 41.12 39.49 1wj6 n ASP 50 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wj6 s LEU 51 N -2.20 2.03 -0.02 0.64 1.43 -0.71 -4.97 118.68 114.89 1wj6 s LEU 51 Ca 0.35 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1wj6 s LEU 51 Cb -0.04 -0.53 -0.33 0.00 0.03 0.00 0.00 46.19 45.33 1wj6 s LEU 51 CO 0.78 0.12 0.79 0.78 0.23 0.00 0.00 176.35 179.05 1wj6 h ASN 52 N 5.83 0.70 -3.39 2.29 2.35 -1.93 -3.43 115.58 118.01 1wj6 h ASN 52 Ca -0.32 -0.93 -0.38 0.00 -0.55 0.00 0.00 56.30 54.12 1wj6 h ASN 52 Cb 1.18 -0.23 -0.36 0.00 0.05 0.00 0.00 38.32 38.96 1wj6 h ASN 52 CO 0.49 1.75 -0.75 0.42 -1.65 0.00 0.00 177.43 177.69 1wj6 s THR 53 N -2.58 0.23 0.12 2.81 -4.23 -1.26 -5.04 115.64 105.69 1wj6 s THR 53 Ca -0.14 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1wj6 s THR 53 Cb 0.05 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1wj6 s THR 53 CO 0.89 0.19 -0.01 0.27 -0.54 0.00 0.00 174.62 175.42 1wj6 s ILE 54 N 1.47 0.47 -0.39 2.99 -4.36 -1.26 0.73 121.20 120.85 1wj6 s ILE 54 Ca -0.03 -1.92 0.11 0.00 -0.26 0.00 0.00 60.65 58.55 1wj6 s ILE 54 Cb -0.13 -1.85 0.33 0.00 1.25 0.00 0.00 42.46 42.06 1wj6 s ILE 54 CO -0.03 -0.70 0.71 1.67 0.24 0.00 0.00 174.94 176.83 1wj6 n GLN 55 N -0.08 1.12 -1.20 0.37 -0.06 0.50 -4.64 117.38 113.39 1wj6 n GLN 55 Ca -0.10 -3.48 -0.38 0.00 -2.00 0.00 0.00 57.00 51.04 1wj6 n GLN 55 Cb 0.62 -1.67 0.01 0.00 -4.06 0.00 0.00 30.24 25.14 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 0.45 0.00 -3.66 1.69 5.41 -1.26 -3.88 119.36 118.11 1wj6 n ILE 56 Ca 0.25 -0.49 -0.08 0.00 1.00 0.00 0.00 62.75 63.43 1wj6 n ILE 56 Cb 0.61 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.46 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 -1.11 0.36 -0.02 0.38 1.02 0.13 -3.74 119.74 116.76 1wj6 s LYS 57 Ca 0.54 1.09 0.01 0.00 0.02 0.00 0.00 55.97 57.62 1wj6 s LYS 57 Cb -0.45 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1wj6 s LYS 57 CO 0.67 -0.24 0.00 1.52 -0.92 0.00 0.00 175.35 176.38 1wj6 s TYR 58 N 2.61 3.09 0.14 3.18 -0.85 0.17 0.20 117.35 125.90 1wj6 s TYR 58 Ca -0.03 0.10 -0.30 0.00 -0.52 0.00 0.00 57.07 56.33 1wj6 s TYR 58 Cb -0.12 -1.69 -0.07 0.00 0.38 0.00 0.00 41.96 40.46 1wj6 s TYR 58 CO -0.14 0.46 1.08 -0.51 -1.52 0.00 0.00 175.55 174.92 1wj6 s LEU 59 N -1.44 4.47 0.00 -3.49 1.43 -0.71 0.19 118.68 119.14 1wj6 s LEU 59 Ca 0.18 2.00 -0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1wj6 s LEU 59 Cb -0.11 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.58 1wj6 s LEU 59 CO 0.09 -0.22 0.48 -0.90 0.23 0.00 0.00 176.35 176.03 1wj6 n ASP 60 N 2.71 0.56 0.04 2.29 5.68 -0.48 -4.75 116.55 122.60 1wj6 n ASP 60 Ca 0.03 -1.50 0.03 0.00 -0.50 0.00 0.00 54.79 52.86 1wj6 n ASP 60 Cb 0.47 -0.32 0.17 0.00 -1.14 0.00 0.00 41.12 40.30 1wj6 n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wj6 n GLU 61 N -1.91 0.03 -0.01 0.11 1.02 -1.26 0.50 120.64 119.12 1wj6 n GLU 61 Ca 0.08 0.49 0.10 0.00 -0.02 0.00 0.00 57.16 57.81 1wj6 n GLU 61 Cb 0.27 -1.60 0.09 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.67 1.85 -1.57 3.49 -0.58 -1.26 -4.94 120.64 115.95 1wj6 n GLU 62 Ca 0.00 -1.73 -0.08 0.00 -0.42 0.00 0.00 57.16 54.94 1wj6 n GLU 62 Cb 0.04 -1.39 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.15 -3.48 -4.65 1.62 4.13 0.18 -5.00 115.26 109.22 1wj6 n ASN 63 Ca 0.12 0.11 -0.36 0.00 1.68 0.00 0.00 54.58 56.13 1wj6 n ASN 63 Cb 0.51 -2.08 -0.10 0.00 -1.54 0.00 0.00 39.78 36.58 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 -3.30 4.05 0.09 3.52 2.02 -1.26 -4.70 118.70 119.12 1wj6 s GLU 64 Ca 0.00 -0.28 -0.32 0.00 0.02 0.00 0.00 54.97 54.38 1wj6 s GLU 64 Cb 0.00 -3.49 -0.11 0.00 0.10 0.00 0.00 34.13 30.62 1wj6 s GLU 64 CO 0.00 0.08 1.81 0.39 0.02 0.00 0.00 175.26 177.56 1wj6 n GLU 65 N 4.21 2.57 -4.21 1.61 1.02 -1.26 -1.39 120.64 123.20 1wj6 n GLU 65 Ca -0.15 0.94 -0.32 0.00 -0.02 0.00 0.00 57.16 57.60 1wj6 n GLU 65 Cb 0.52 -2.80 -0.16 0.00 -0.02 0.00 0.00 31.44 28.97 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 2.72 1.93 -0.09 2.62 1.01 0.51 -4.84 120.40 124.26 1wj6 s VAL 66 Ca 0.84 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1wj6 s VAL 66 Cb -0.55 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1wj6 s VAL 66 CO 0.40 0.52 0.53 -0.94 0.00 0.00 0.00 175.10 175.61 1wj6 s SER 67 N 1.23 6.77 0.03 3.32 1.04 -1.26 0.46 113.70 125.30 1wj6 s SER 67 Ca 0.02 0.92 -0.14 0.00 0.48 0.00 0.00 55.95 57.24 1wj6 s SER 67 Cb -0.13 -2.32 -0.06 0.00 0.10 0.00 0.00 66.02 63.61 1wj6 s SER 67 CO -0.10 0.00 0.43 -0.63 0.98 0.00 0.00 173.24 173.92 1wj6 s ILE 68 N 0.51 5.00 0.00 -1.02 1.01 -1.25 -4.96 121.20 120.50 1wj6 s ILE 68 Ca 0.28 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1wj6 s ILE 68 Cb -0.16 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1wj6 s ILE 68 CO 0.12 0.49 0.00 0.59 0.00 0.00 0.00 174.94 176.14 1wj6 n ASN 69 N 1.53 1.91 -3.86 3.58 3.02 -1.26 -4.83 115.26 115.35 1wj6 n ASN 69 Ca -0.12 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 1wj6 n ASN 69 Cb 0.52 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.64 1wj6 n ASN 69 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wj6 n SER 70 N -2.48 2.62 0.26 6.41 2.88 -1.26 -4.89 113.62 117.17 1wj6 n SER 70 Ca 0.00 -2.68 -0.15 0.00 -1.33 0.00 0.00 58.87 54.71 1wj6 n SER 70 Cb 0.38 0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 64.14 1wj6 n SER 70 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1wj6 h GLN 71 N 0.00 -0.65 -0.96 -1.46 5.75 -1.97 -2.84 115.11 112.97 1wj6 h GLN 71 Ca -0.30 0.04 0.26 0.00 -0.15 0.00 0.00 58.65 58.50 1wj6 h GLN 71 Cb 0.96 0.15 -0.18 0.00 1.07 0.00 0.00 27.48 29.47 1wj6 h GLN 71 CO 0.50 -0.35 -0.01 0.41 -2.65 0.00 0.00 178.83 176.72 1wj6 n GLY 72 N -0.73 -1.34 0.10 2.39 0.00 -1.26 0.12 105.19 104.46 1wj6 n GLY 72 Ca -0.11 0.95 -0.10 0.00 0.00 0.00 0.00 46.02 46.77 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 0.15 0.08 1.61 5.08 -1.95 -2.73 114.58 116.82 1wj6 h GLU 73 Ca 0.57 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1wj6 h GLU 73 Cb 1.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wj6 h GLU 73 CO -0.91 0.10 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.23 1wj6 h TYR 74 N 0.15 -0.10 -0.34 4.33 3.20 0.12 -2.86 116.97 121.47 1wj6 h TYR 74 Ca 0.07 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1wj6 h TYR 74 Cb 0.04 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1wj6 h TYR 74 CO -0.11 0.05 -0.20 0.39 -1.64 0.00 0.00 178.16 176.65 1wj6 n GLU 75 N -5.08 -0.15 -0.24 1.82 1.02 0.17 0.55 120.64 118.73 1wj6 n GLU 75 Ca -0.08 1.13 -0.00 0.00 -0.02 0.00 0.00 57.16 58.18 1wj6 n GLU 75 Cb 0.12 -1.68 0.07 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.03 -0.86 3.49 5.08 -1.51 0.73 114.58 121.48 1wj6 h GLU 76 Ca 0.05 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1wj6 h GLU 76 Cb 0.14 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 1wj6 h GLU 76 CO -0.32 -0.02 0.48 0.00 -1.00 0.00 0.00 179.01 178.15 1wj6 h ALA 77 N 1.58 1.28 -0.72 3.43 0.00 -0.22 0.21 119.26 124.83 1wj6 h ALA 77 Ca 0.32 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1wj6 h ALA 77 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1wj6 h ALA 77 CO -0.72 0.02 0.25 -0.07 0.00 0.00 0.00 179.25 178.72 1wj6 h LEU 78 N 0.73 1.03 -2.00 0.00 3.38 0.57 0.79 115.31 119.81 1wj6 h LEU 78 Ca 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1wj6 h LEU 78 Cb 0.54 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1wj6 h LEU 78 CO -0.31 0.94 -0.09 0.11 0.09 0.00 0.00 178.44 179.18 1wj6 h LYS 79 N 1.07 0.00 0.22 1.13 1.57 0.24 -2.13 116.57 118.67 1wj6 h LYS 79 Ca 0.24 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.68 1wj6 h LYS 79 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.60 1wj6 h LYS 79 CO -0.01 0.09 -1.59 1.98 -0.57 0.00 0.00 179.45 179.35 1wj6 h MET 80 N 0.00 0.46 -0.90 3.15 4.05 0.26 -3.29 114.93 118.66 1wj6 h MET 80 Ca -0.00 -0.79 0.14 0.00 -0.28 0.00 0.00 59.70 58.77 1wj6 h MET 80 Cb 0.20 0.30 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 1wj6 h MET 80 CO 0.01 1.37 0.58 0.00 0.23 0.00 0.00 176.91 179.11 1wj6 h ALA 81 N 0.17 1.79 -0.72 0.39 0.00 -0.26 0.21 119.26 120.84 1wj6 h ALA 81 Ca -0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1wj6 h ALA 81 Cb 2.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 1wj6 h ALA 81 CO 0.23 -0.04 0.40 0.28 0.00 0.00 0.00 179.25 180.12 1wj6 h VAL 82 N 0.73 1.22 -0.10 0.00 2.07 -1.54 0.29 116.25 118.92 1wj6 h VAL 82 Ca 0.45 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1wj6 h VAL 82 Cb 0.69 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1wj6 h VAL 82 CO -0.21 0.24 0.03 0.11 0.02 0.00 0.00 177.57 177.75 1wj6 h LYS 83 N 0.99 0.07 0.48 1.57 1.57 -0.71 -3.10 116.57 117.45 1wj6 h LYS 83 Ca 0.25 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1wj6 h LYS 83 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1wj6 h LYS 83 CO -0.04 0.05 -0.40 1.96 -0.57 0.00 0.00 179.45 180.45 1wj6 h GLN 84 N 0.08 -0.83 0.00 3.15 4.20 -0.83 -3.45 115.11 117.42 1wj6 h GLN 84 Ca 0.04 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1wj6 h GLN 84 Cb 0.03 0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1wj6 h GLN 84 CO -0.05 -0.55 0.00 0.41 -0.67 0.00 0.00 178.83 177.97 1wj6 n GLY 85 N -1.47 0.00 2.30 3.46 0.00 -0.17 -4.92 105.19 104.39 1wj6 n GLY 85 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.98 -3.88 1.61 4.13 0.84 -4.89 115.26 109.09 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 -3.10 -0.09 0.00 -1.54 0.00 0.00 39.78 35.05 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 -4.77 0.66 -0.03 3.52 1.03 -0.92 0.20 119.66 119.36 1wj6 s GLN 87 Ca 0.05 -0.70 -0.01 0.00 0.04 0.00 0.00 55.36 54.74 1wj6 s GLN 87 Cb -0.02 0.27 0.02 0.00 0.03 0.00 0.00 33.01 33.30 1wj6 s GLN 87 CO 0.06 -0.18 0.06 -1.17 -2.54 0.00 0.00 175.29 171.52 1wj6 s LEU 88 N -2.14 1.47 -0.57 2.60 2.96 0.27 -4.24 118.68 119.03 1wj6 s LEU 88 Ca -0.04 0.11 -0.20 0.00 -0.22 0.00 0.00 54.13 53.78 1wj6 s LEU 88 Cb -0.01 0.14 0.09 0.00 0.50 0.00 0.00 46.19 46.91 1wj6 s LEU 88 CO -0.04 -0.06 0.72 -1.10 -1.32 0.00 0.00 176.35 174.54 1wj6 s GLN 89 N 0.46 3.08 0.01 1.98 1.11 -1.26 0.44 119.66 125.48 1wj6 s GLN 89 Ca -0.04 -1.12 0.01 0.00 0.01 0.00 0.00 55.36 54.22 1wj6 s GLN 89 Cb -0.05 -4.21 -0.04 0.00 -1.01 0.00 0.00 33.01 27.70 1wj6 s GLN 89 CO -0.02 -1.48 0.06 -1.64 0.01 0.00 0.00 175.29 172.22 1wj6 s MET 90 N 2.86 2.95 -0.17 2.91 -1.94 0.41 -1.74 119.30 124.59 1wj6 s MET 90 Ca 0.14 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 1wj6 s MET 90 Cb -0.22 -2.78 0.03 0.00 2.01 0.00 0.00 34.83 33.88 1wj6 s MET 90 CO 0.09 0.63 -0.11 -0.65 -0.01 0.00 0.00 175.02 174.96 1wj6 s GLN 91 N -1.81 1.99 0.38 2.03 -0.21 0.53 0.55 119.66 123.12 1wj6 s GLN 91 Ca 0.23 -0.62 -0.25 0.00 0.02 0.00 0.00 55.36 54.73 1wj6 s GLN 91 Cb -0.12 -2.15 -0.09 0.00 1.00 0.00 0.00 33.01 31.65 1wj6 s GLN 91 CO 0.14 -0.34 1.12 0.08 -2.12 0.00 0.00 175.29 174.17 1wj6 s VAL 92 N 1.50 3.39 -0.30 1.09 1.01 -0.48 0.18 120.40 126.80 1wj6 s VAL 92 Ca 0.02 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 1wj6 s VAL 92 Cb -0.14 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.72 1wj6 s VAL 92 CO -0.09 0.10 0.27 -1.00 0.00 0.00 0.00 175.10 174.38 1wj6 s HIS 93 N -1.46 -0.30 0.45 5.22 3.76 -1.25 -4.34 115.29 117.36 1wj6 s HIS 93 Ca 0.56 -0.36 -0.22 0.00 -0.15 0.00 0.00 55.06 54.88 1wj6 s HIS 93 Cb -0.28 -0.54 -0.12 0.00 1.11 0.00 0.00 32.58 32.75 1wj6 s HIS 93 CO 0.35 -0.91 0.53 0.39 -0.85 0.00 0.00 174.74 174.25 1wj6 n GLU 94 N 5.20 0.56 0.00 1.40 1.02 -1.26 0.19 120.64 127.75 1wj6 n GLU 94 Ca -0.01 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1wj6 n GLU 94 Cb 0.45 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1wj6 n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wj6 n GLY 95 N 1.80 0.85 3.57 0.62 0.00 0.22 -4.63 105.19 107.63 1wj6 n GLY 95 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1wj6 n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj6 s SER 96 N -1.00 -0.69 -0.45 1.61 0.15 -1.26 -5.01 113.70 107.04 1wj6 s SER 96 Ca 0.00 1.27 -0.05 0.00 0.70 0.00 0.00 55.95 57.87 1wj6 s SER 96 Cb 0.00 1.27 0.12 0.00 -1.71 0.00 0.00 66.02 65.70 1wj6 s SER 96 CO 0.00 -0.28 0.28 -0.83 1.20 0.00 0.00 173.24 173.60 1wj6 s GLY 97 N 0.15 2.06 -1.19 9.45 0.00 -1.26 -4.70 107.32 111.84 1wj6 s GLY 97 Ca -0.01 -2.61 -0.10 0.00 0.00 0.00 0.00 44.72 41.99 1wj6 s GLY 97 CO 0.02 1.06 2.38 -1.55 0.00 0.00 0.00 173.10 175.01 1wj6 n PRO 98 N 4.59 2.62 -3.02 2.90 -0.04 -1.26 -4.65 135.00 136.14 1wj6 n PRO 98 Ca -0.03 -1.87 -0.01 0.00 -0.04 0.00 0.00 63.50 61.55 1wj6 n PRO 98 Cb 0.41 -2.72 -0.01 0.00 -0.04 0.00 0.00 33.50 31.15 1wj6 n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wj6 n SER 99 N 4.63 -6.46 -4.30 3.54 7.64 -1.26 -4.88 113.62 112.53 1wj6 n SER 99 Ca 0.57 0.83 -0.46 0.00 1.01 0.00 0.00 58.87 60.83 1wj6 n SER 99 Cb 0.23 -2.60 -0.05 0.00 -1.01 0.00 0.00 64.21 60.78 1wj6 n SER 99 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wj6 s SER 100 N -0.80 6.24 0.00 6.43 0.15 -1.26 -5.32 113.70 119.14 1wj6 s SER 100 Ca -0.03 -1.97 0.29 0.00 0.70 0.00 0.00 55.95 54.94 1wj6 s SER 100 Cb 0.00 -2.19 1.21 0.00 -1.71 0.00 0.00 66.02 63.33 1wj6 s SER 100 CO 0.22 -0.79 1.84 0.61 1.20 0.00 0.00 173.24 176.31