#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj6 n SER 2 N 0.00 -2.51 -2.79 1.61 3.41 -1.26 -5.12 113.62 106.96 1wj6 n SER 2 Ca 0.00 0.68 -0.03 0.00 -0.26 0.00 0.00 58.87 59.26 1wj6 n SER 2 Cb 0.00 2.51 -0.03 0.00 -0.26 0.00 0.00 64.21 66.43 1wj6 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wj6 n SER 3 N -3.18 -3.66 -3.37 4.04 2.88 -1.26 -4.99 113.62 104.07 1wj6 n SER 3 Ca 0.00 1.19 -0.26 0.00 -1.33 0.00 0.00 58.87 58.47 1wj6 n SER 3 Cb 0.00 -3.99 -0.09 0.00 -0.75 0.00 0.00 64.21 59.38 1wj6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj6 n GLY 4 N 1.82 2.51 3.16 0.46 0.00 -1.26 -4.80 105.19 107.08 1wj6 n GLY 4 Ca -0.23 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.44 -0.19 -0.33 1.61 0.01 -1.26 -5.06 113.70 108.05 1wj6 s SER 5 Ca 0.33 0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.62 1wj6 s SER 5 Cb 0.07 1.16 0.01 0.00 0.21 0.00 0.00 66.02 67.48 1wj6 s SER 5 CO -0.17 -0.04 0.29 -1.20 0.41 0.00 0.00 173.24 172.54 1wj6 n SER 6 N 5.41 -7.54 -1.01 2.44 7.64 -1.26 -4.80 113.62 114.50 1wj6 n SER 6 Ca -0.09 0.80 0.14 0.00 1.01 0.00 0.00 58.87 60.73 1wj6 n SER 6 Cb 0.55 -4.45 -0.04 0.00 -1.01 0.00 0.00 64.21 59.26 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 0.32 -1.89 0.13 0.23 0.00 -1.26 -4.55 105.19 98.17 1wj6 n GLY 7 Ca 0.03 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.94 0.35 -5.12 1.61 0.13 -1.87 -3.43 132.00 122.73 1wj6 h PRO 8 Ca -0.00 -0.34 0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1wj6 h PRO 8 Cb 0.93 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.06 1wj6 h PRO 8 CO 0.01 1.02 -1.20 0.72 -0.23 0.00 0.00 178.00 178.32 1wj6 n HIS 9 N -4.33 -3.68 -3.63 1.56 8.25 -1.26 -4.79 115.22 107.34 1wj6 n HIS 9 Ca -0.10 2.15 -0.14 0.00 -0.26 0.00 0.00 57.72 59.38 1wj6 n HIS 9 Cb 0.59 -3.34 -0.07 0.00 1.12 0.00 0.00 29.99 28.29 1wj6 n HIS 9 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wj6 s SER 10 N -0.52 -0.72 0.34 0.41 0.01 -1.26 -4.99 113.70 106.97 1wj6 s SER 10 Ca -0.19 1.33 -0.16 0.00 1.31 0.00 0.00 55.95 58.24 1wj6 s SER 10 Cb 0.01 1.33 0.03 0.00 0.21 0.00 0.00 66.02 67.61 1wj6 s SER 10 CO 0.52 -0.28 0.71 0.00 0.41 0.00 0.00 173.24 174.60 1wj6 s MET 11 N 0.20 2.01 -0.08 12.44 0.23 -1.26 -5.16 119.30 127.69 1wj6 s MET 11 Ca -0.01 -1.33 -0.30 0.00 -1.03 0.00 0.00 55.69 53.02 1wj6 s MET 11 Cb -0.04 0.59 0.11 0.00 -1.53 0.00 0.00 34.83 33.96 1wj6 s MET 11 CO 0.02 -0.92 0.93 -1.83 -2.03 0.00 0.00 175.02 171.19 1wj6 s GLU 12 N -3.00 0.72 -0.08 3.16 -1.05 -1.26 -5.07 118.70 112.12 1wj6 s GLU 12 Ca 0.16 -0.09 -0.24 0.00 -0.15 0.00 0.00 54.97 54.65 1wj6 s GLU 12 Cb -0.04 0.33 -0.20 0.00 -0.44 0.00 0.00 34.13 33.78 1wj6 s GLU 12 CO 0.11 -0.28 0.89 -1.00 0.95 0.00 0.00 175.26 175.93 1wj6 h PRO 13 N 2.26 -0.07 -4.39 -4.83 0.13 -1.90 -3.44 132.00 119.77 1wj6 h PRO 13 Ca -0.20 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.47 1wj6 h PRO 13 Cb 1.20 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1wj6 h PRO 13 CO 0.31 0.56 1.44 1.04 -0.23 0.00 0.00 178.00 181.11 1wj6 n GLN 14 N -4.79 0.00 -3.89 0.86 6.02 -1.21 -4.66 117.38 109.71 1wj6 n GLN 14 Ca -0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.57 1wj6 n GLN 14 Cb 0.32 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 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 7.25 5.44 -0.45 5.09 1.01 -0.77 -4.79 120.40 133.18 1wj6 s VAL 15 Ca 1.14 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.89 1wj6 s VAL 15 Cb -1.10 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 31.80 1wj6 s VAL 15 CO 0.44 0.39 0.42 -0.89 0.00 0.00 0.00 175.10 175.45 1wj6 s THR 16 N -1.27 5.15 -0.64 3.92 2.01 0.48 -0.78 115.64 124.52 1wj6 s THR 16 Ca 0.25 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 1wj6 s THR 16 Cb -0.13 -4.08 0.09 0.00 0.01 0.00 0.00 72.50 68.40 1wj6 s THR 16 CO 0.16 -0.50 0.83 -0.76 -0.69 0.00 0.00 174.62 173.65 1wj6 s LEU 17 N 1.93 5.00 -0.57 4.42 1.43 -0.34 0.84 118.68 131.38 1wj6 s LEU 17 Ca 0.08 -1.31 -0.24 0.00 -1.03 0.00 0.00 54.13 51.63 1wj6 s LEU 17 Cb -0.20 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1wj6 s LEU 17 CO 0.10 -1.24 0.98 0.20 0.23 0.00 0.00 176.35 176.62 1wj6 s ASN 18 N 3.64 6.32 -0.32 2.29 0.01 0.11 -0.91 114.94 126.07 1wj6 s ASN 18 Ca 0.17 -0.39 -0.12 0.00 -0.71 0.00 0.00 52.86 51.80 1wj6 s ASN 18 Cb -0.20 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 1wj6 s ASN 18 CO 0.07 -1.30 0.23 -0.69 -1.51 0.00 0.00 177.10 173.90 1wj6 s VAL 19 N 4.12 5.29 -0.51 1.60 1.01 0.18 0.19 120.40 132.28 1wj6 s VAL 19 Ca 0.31 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 1wj6 s VAL 19 Cb -0.12 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.72 1wj6 s VAL 19 CO 0.18 0.06 0.35 -0.89 0.00 0.00 0.00 175.10 174.81 1wj6 s THR 20 N 1.74 3.91 -0.11 3.92 2.01 0.94 0.19 115.64 128.24 1wj6 s THR 20 Ca 0.06 -2.17 -0.13 0.00 0.31 0.00 0.00 61.69 59.76 1wj6 s THR 20 Cb -0.17 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1wj6 s THR 20 CO 0.11 -0.79 0.30 0.12 -0.69 0.00 0.00 174.62 173.67 1wj6 s PHE 21 N 0.90 3.56 0.00 4.92 5.36 -0.66 -3.31 117.98 128.75 1wj6 s PHE 21 Ca 0.10 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1wj6 s PHE 21 Cb -0.23 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1wj6 s PHE 21 CO -0.03 0.44 0.00 1.63 -1.46 0.00 0.00 175.22 175.80 1wj6 n LYS 22 N 2.81 0.00 0.00 10.12 4.76 -1.26 0.26 118.16 134.86 1wj6 n LYS 22 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1wj6 n LYS 22 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 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 2.86 0.65 -4.97 4.39 2.85 -1.26 -5.08 115.26 114.71 1wj6 n ASN 23 Ca 0.00 -1.30 -0.21 0.00 -0.11 0.00 0.00 54.58 52.96 1wj6 n ASN 23 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 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 -0.30 3.02 -0.04 1.20 0.41 0.74 -5.11 118.70 118.62 1wj6 s GLU 24 Ca 0.00 -0.71 -0.00 0.00 -0.41 0.00 0.00 54.97 53.84 1wj6 s GLU 24 Cb 0.00 -2.64 0.03 0.00 -1.78 0.00 0.00 34.13 29.73 1wj6 s GLU 24 CO 0.00 -0.21 0.01 0.42 -0.49 0.00 0.00 175.26 174.99 1wj6 s ILE 25 N -2.45 0.19 0.25 -1.63 1.01 -1.26 -1.66 121.20 115.66 1wj6 s ILE 25 Ca 0.48 0.14 0.07 0.00 0.00 0.00 0.00 60.65 61.35 1wj6 s ILE 25 Cb -0.10 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1wj6 s ILE 25 CO 0.36 0.18 -0.09 -1.58 0.00 0.00 0.00 174.94 173.81 1wj6 s GLN 26 N 1.44 1.48 -0.04 2.79 2.00 0.49 -4.96 119.66 122.86 1wj6 s GLN 26 Ca -0.04 -1.72 -0.02 0.00 -2.00 0.00 0.00 55.36 51.58 1wj6 s GLN 26 Cb -0.13 -1.16 0.03 0.00 0.80 0.00 0.00 33.01 32.55 1wj6 s GLN 26 CO -0.03 0.10 0.10 0.45 -0.50 0.00 0.00 175.29 175.41 1wj6 s SER 27 N -3.40 -0.06 -0.17 6.67 0.15 -1.25 0.47 113.70 116.11 1wj6 s SER 27 Ca 0.27 0.20 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 1wj6 s SER 27 Cb 0.02 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.49 1wj6 s SER 27 CO 0.10 -0.11 -0.02 -0.36 1.20 0.00 0.00 173.24 174.05 1wj6 s PHE 28 N 0.85 1.43 0.10 3.44 0.08 -0.09 -4.92 117.98 118.87 1wj6 s PHE 28 Ca -0.07 -0.95 -0.30 0.00 0.12 0.00 0.00 56.93 55.73 1wj6 s PHE 28 Cb -0.09 -1.19 -0.05 0.00 -0.57 0.00 0.00 43.02 41.12 1wj6 s PHE 28 CO -0.04 -0.59 0.99 -1.17 -0.10 0.00 0.00 175.22 174.32 1wj6 s LEU 29 N 1.72 4.47 -0.46 -0.37 2.96 -1.26 -1.20 118.68 124.54 1wj6 s LEU 29 Ca 0.00 1.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.76 1wj6 s LEU 29 Cb -0.16 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.07 1wj6 s LEU 29 CO -0.07 -0.13 0.20 -0.69 -1.32 0.00 0.00 176.35 174.34 1wj6 s VAL 30 N 0.19 2.28 -0.92 1.68 1.01 0.04 -4.90 120.40 119.78 1wj6 s VAL 30 Ca 0.49 -2.92 0.11 0.00 0.00 0.00 0.00 61.98 59.66 1wj6 s VAL 30 Cb -0.24 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.63 1wj6 s VAL 30 CO 0.30 -0.77 1.36 -1.54 0.00 0.00 0.00 175.10 174.46 1wj6 n SER 31 N 3.49 0.09 -3.23 3.32 3.41 -1.26 -1.86 113.62 117.57 1wj6 n SER 31 Ca 0.05 0.53 -0.25 0.00 -0.26 0.00 0.00 58.87 58.94 1wj6 n SER 31 Cb 0.35 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 1wj6 n SER 31 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wj6 n ASP 32 N -1.60 0.14 0.08 4.04 5.75 -1.26 -4.28 116.55 119.42 1wj6 n ASP 32 Ca 0.02 -2.65 0.12 0.00 -0.01 0.00 0.00 54.79 52.27 1wj6 n ASP 32 Cb 0.12 -0.63 0.46 0.00 -1.03 0.00 0.00 41.12 40.04 1wj6 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wj6 n PRO 33 N 1.64 0.15 -0.08 0.11 -0.04 -1.21 -0.28 135.00 135.29 1wj6 n PRO 33 Ca 0.23 0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.89 1wj6 n PRO 33 Cb 0.52 -1.73 -0.16 0.00 -0.04 0.00 0.00 33.50 32.09 1wj6 n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wj6 n GLU 34 N -2.00 0.68 -0.07 0.54 1.02 -1.26 -4.58 120.64 114.97 1wj6 n GLU 34 Ca 0.04 -0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1wj6 n GLU 34 Cb 0.31 -1.52 -0.05 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 -2.12 1.62 -0.73 -1.92 -3.47 115.58 108.96 1wj6 h ASN 35 Ca -0.43 -0.25 -0.46 0.00 1.87 0.00 0.00 56.30 57.03 1wj6 h ASN 35 Cb 1.98 0.00 0.24 0.00 0.27 0.00 0.00 38.32 40.81 1wj6 h ASN 35 CO 0.02 0.86 -1.34 1.07 -0.37 0.00 0.00 177.43 177.68 1wj6 n THR 36 N -4.63 0.00 -4.31 -3.57 5.66 0.61 -5.02 114.28 103.03 1wj6 n THR 36 Ca -0.10 -0.26 -0.24 0.00 -3.05 0.00 0.00 64.05 60.40 1wj6 n THR 36 Cb 0.30 -0.51 -0.12 0.00 -1.55 0.00 0.00 70.33 68.44 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 -2.20 1.82 0.29 1.09 -4.23 -1.26 -4.92 115.64 106.23 1wj6 s THR 37 Ca 0.53 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 1wj6 s THR 37 Cb -0.08 -1.67 0.29 0.00 1.34 0.00 0.00 72.50 72.37 1wj6 s THR 37 CO 0.66 -0.08 1.80 -0.25 -0.54 0.00 0.00 174.62 176.22 1wj6 h TRP 38 N 3.91 1.08 -0.93 3.99 -0.00 -1.90 0.53 115.95 122.63 1wj6 h TRP 38 Ca -0.46 0.03 0.08 0.00 -0.00 0.00 0.00 58.89 58.54 1wj6 h TRP 38 Cb 1.18 -0.33 -0.06 0.00 -0.00 0.00 0.00 29.16 29.95 1wj6 h TRP 38 CO 0.62 0.34 0.60 0.00 -0.00 0.00 0.00 178.44 180.00 1wj6 h ALA 39 N 1.59 1.51 -0.20 2.65 0.00 -1.93 0.79 119.26 123.68 1wj6 h ALA 39 Ca 0.53 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 1wj6 h ALA 39 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wj6 h ALA 39 CO -0.32 0.33 -0.26 -0.44 0.00 0.00 0.00 179.25 178.56 1wj6 h ASP 40 N 1.03 0.37 0.28 0.00 3.32 -0.40 -2.38 116.42 118.64 1wj6 h ASP 40 Ca 0.41 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1wj6 h ASP 40 Cb 0.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1wj6 h ASP 40 CO -0.17 0.63 -0.13 0.40 -1.72 0.00 0.00 179.24 178.25 1wj6 h ILE 41 N 0.33 0.00 -0.93 0.35 1.08 0.51 -2.10 117.51 116.75 1wj6 h ILE 41 Ca 0.05 -0.70 0.11 0.00 -0.39 0.00 0.00 64.86 63.94 1wj6 h ILE 41 Cb 0.63 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.25 1wj6 h ILE 41 CO 0.05 0.00 -0.46 1.21 -0.69 0.00 0.00 178.15 178.26 1wj6 n GLU 42 N -4.93 -0.32 0.23 2.37 2.13 0.25 -0.11 120.64 120.26 1wj6 n GLU 42 Ca -0.05 1.43 -0.16 0.00 0.66 0.00 0.00 57.16 59.04 1wj6 n GLU 42 Cb 0.15 -2.10 -0.08 0.00 0.27 0.00 0.00 31.44 29.67 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 0.88 -0.74 -0.41 4.31 0.00 -1.54 0.44 119.26 122.20 1wj6 h ALA 43 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1wj6 h ALA 43 Cb 0.47 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1wj6 h ALA 43 CO -0.90 -0.95 -0.27 1.98 0.00 0.00 0.00 179.25 179.11 1wj6 h MET 44 N -0.72 -0.04 -0.83 0.00 1.85 0.22 0.69 114.93 116.10 1wj6 h MET 44 Ca -0.03 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.14 1wj6 h MET 44 Cb 0.64 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.61 1wj6 h MET 44 CO -0.04 -0.03 0.50 0.28 -0.40 0.00 0.00 176.91 177.22 1wj6 h VAL 45 N -0.04 0.98 0.00 -5.77 2.07 -0.62 0.63 116.25 113.50 1wj6 h VAL 45 Ca 0.07 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1wj6 h VAL 45 Cb 0.21 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1wj6 h VAL 45 CO -0.41 0.16 0.00 0.29 0.02 0.00 0.00 177.57 177.63 1wj6 n LYS 46 N -4.68 0.00 -0.18 1.57 5.02 0.15 -1.15 118.16 118.89 1wj6 n LYS 46 Ca 0.12 0.67 -0.01 0.00 -2.02 0.00 0.00 58.31 57.08 1wj6 n LYS 46 Cb 0.22 -1.45 0.09 0.00 -0.02 0.00 0.00 35.03 33.87 1wj6 n LYS 46 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wj6 h VAL 47 N 0.00 0.71 -1.03 -0.18 -1.51 0.37 1.99 116.25 116.60 1wj6 h VAL 47 Ca 0.00 -0.10 0.40 0.00 -1.23 0.00 0.00 66.70 65.77 1wj6 h VAL 47 Cb 0.00 0.39 -0.17 0.00 -2.13 0.00 0.00 31.29 29.38 1wj6 h VAL 47 CO 0.00 0.05 0.58 -1.28 -1.23 0.00 0.00 177.57 175.69 1wj6 h SER 48 N 0.29 0.37 0.00 4.19 0.87 0.67 0.73 113.55 120.66 1wj6 h SER 48 Ca 0.29 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1wj6 h SER 48 Cb 0.40 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1wj6 h SER 48 CO -0.35 -0.34 -1.63 0.49 -0.53 0.00 0.00 176.83 174.47 1wj6 n PHE 49 N -5.16 0.00 -1.39 2.24 3.01 0.23 -5.01 117.46 111.38 1wj6 n PHE 49 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.82 1wj6 n PHE 49 Cb 1.23 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 40.36 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 -1.99 -1.60 -4.27 4.37 2.03 0.65 -5.08 116.55 110.66 1wj6 n ASP 50 Ca -0.02 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.03 1wj6 n ASP 50 Cb 0.44 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.01 2.19 -0.18 -2.67 1.43 0.21 -4.94 118.68 112.71 1wj6 s LEU 51 Ca 0.00 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1wj6 s LEU 51 Cb 0.00 -1.00 -0.22 0.00 0.03 0.00 0.00 46.19 45.00 1wj6 s LEU 51 CO 0.00 0.16 0.10 0.59 0.23 0.00 0.00 176.35 177.43 1wj6 n ASN 52 N 1.68 1.91 -3.88 2.29 3.02 -1.26 -4.13 115.26 114.89 1wj6 n ASN 52 Ca -0.18 0.06 -0.21 0.00 -0.03 0.00 0.00 54.58 54.22 1wj6 n ASN 52 Cb 0.53 -0.55 -0.17 0.00 -0.61 0.00 0.00 39.78 38.99 1wj6 n ASN 52 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wj6 s THR 53 N -2.54 0.56 0.24 3.41 -4.23 -1.26 -5.09 115.64 106.72 1wj6 s THR 53 Ca -0.27 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 1wj6 s THR 53 Cb 0.08 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.29 1wj6 s THR 53 CO 0.70 0.24 0.24 0.27 -0.54 0.00 0.00 174.62 175.53 1wj6 s ILE 54 N 1.12 0.00 -0.39 2.99 -4.36 -1.26 -1.51 121.20 117.78 1wj6 s ILE 54 Ca -0.08 -1.87 0.12 0.00 -0.26 0.00 0.00 60.65 58.56 1wj6 s ILE 54 Cb -0.14 -2.46 0.36 0.00 1.25 0.00 0.00 42.46 41.47 1wj6 s ILE 54 CO -0.01 0.00 0.79 1.67 0.24 0.00 0.00 174.94 177.63 1wj6 n GLN 55 N -0.36 1.34 -1.05 0.37 -0.06 0.51 -4.62 117.38 113.51 1wj6 n GLN 55 Ca 0.02 -3.59 -0.33 0.00 -2.00 0.00 0.00 57.00 51.11 1wj6 n GLN 55 Cb 0.64 -1.74 0.01 0.00 -4.06 0.00 0.00 30.24 25.09 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 0.16 0.00 -3.66 1.69 5.41 -1.26 -3.89 119.36 117.81 1wj6 n ILE 56 Ca 0.24 -0.42 -0.08 0.00 1.00 0.00 0.00 62.75 63.50 1wj6 n ILE 56 Cb 0.64 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.48 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 -0.84 0.37 0.02 0.38 1.02 0.59 -3.65 119.74 117.63 1wj6 s LYS 57 Ca 0.48 1.08 0.04 0.00 0.02 0.00 0.00 55.97 57.59 1wj6 s LYS 57 Cb -0.42 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 1wj6 s LYS 57 CO 0.55 -0.23 -0.06 1.52 -0.92 0.00 0.00 175.35 176.21 1wj6 s TYR 58 N 2.53 2.89 -0.05 3.18 -0.85 0.21 0.14 117.35 125.40 1wj6 s TYR 58 Ca -0.03 -0.04 -0.30 0.00 -0.52 0.00 0.00 57.07 56.18 1wj6 s TYR 58 Cb -0.12 -1.59 -0.03 0.00 0.38 0.00 0.00 41.96 40.61 1wj6 s TYR 58 CO -0.14 0.39 1.09 -0.51 -1.52 0.00 0.00 175.55 174.87 1wj6 s LEU 59 N -1.58 4.29 0.00 -3.49 1.43 -0.76 0.19 118.68 118.76 1wj6 s LEU 59 Ca 0.18 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 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 0.09 -0.47 0.00 -0.67 0.23 0.00 0.00 176.35 175.53 1wj6 n ASP 60 N 4.78 0.00 -0.56 2.29 -0.08 -0.82 -4.75 116.55 117.41 1wj6 n ASP 60 Ca 0.09 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.40 1wj6 n ASP 60 Cb 0.48 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 -3.03 120.64 118.41 1wj6 n GLU 61 Ca 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 1wj6 n GLU 61 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.16 -0.23 -1.59 3.49 -0.58 -1.26 -4.98 120.64 115.65 1wj6 n GLU 62 Ca 0.08 -0.57 -0.09 0.00 -0.42 0.00 0.00 57.16 56.16 1wj6 n GLU 62 Cb 0.29 -0.91 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.07 -3.69 -4.51 1.62 5.15 -1.17 -5.00 115.26 107.59 1wj6 n ASN 63 Ca 0.00 0.13 -0.34 0.00 -0.60 0.00 0.00 54.58 53.77 1wj6 n ASN 63 Cb 0.09 -2.34 -0.12 0.00 -0.53 0.00 0.00 39.78 36.89 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 -3.37 3.73 0.13 1.20 2.02 -1.26 -4.84 118.70 116.31 1wj6 s GLU 64 Ca 0.00 -0.47 -0.32 0.00 0.02 0.00 0.00 54.97 54.20 1wj6 s GLU 64 Cb 0.00 -3.07 -0.12 0.00 0.10 0.00 0.00 34.13 31.04 1wj6 s GLU 64 CO 0.00 0.15 1.78 0.39 0.02 0.00 0.00 175.26 177.60 1wj6 n GLU 65 N 3.86 2.63 -4.18 1.61 1.02 -1.26 -1.94 120.64 122.38 1wj6 n GLU 65 Ca -0.17 0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 57.61 1wj6 n GLU 65 Cb 0.52 -2.82 -0.16 0.00 -0.02 0.00 0.00 31.44 28.96 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 2.26 1.90 0.11 2.62 1.01 0.50 -4.83 120.40 123.97 1wj6 s VAL 66 Ca 0.81 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1wj6 s VAL 66 Cb -0.54 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 1wj6 s VAL 66 CO 0.38 0.51 0.60 -0.94 0.00 0.00 0.00 175.10 175.65 1wj6 s SER 67 N 1.27 7.05 -0.15 3.32 1.04 -1.26 0.66 113.70 125.63 1wj6 s SER 67 Ca 0.03 1.28 -0.05 0.00 0.48 0.00 0.00 55.95 57.69 1wj6 s SER 67 Cb -0.13 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 1wj6 s SER 67 CO -0.10 0.22 0.00 -0.63 0.98 0.00 0.00 173.24 173.71 1wj6 s ILE 68 N -1.21 4.28 -0.06 -1.02 1.01 -1.24 -4.96 121.20 118.00 1wj6 s ILE 68 Ca 0.32 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1wj6 s ILE 68 Cb -0.19 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1wj6 s ILE 68 CO 0.20 0.50 -0.05 0.59 0.00 0.00 0.00 174.94 176.18 1wj6 n ASN 69 N 3.29 3.57 -4.49 3.58 3.02 -1.26 -4.82 115.26 118.15 1wj6 n ASN 69 Ca -0.17 -0.03 -0.31 0.00 -0.03 0.00 0.00 54.58 54.04 1wj6 n ASN 69 Cb 0.53 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.57 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 -4.51 3.70 0.06 6.41 0.01 -1.26 -4.89 113.70 113.22 1wj6 s SER 70 Ca -0.08 -1.72 -0.29 0.00 1.31 0.00 0.00 55.95 55.17 1wj6 s SER 70 Cb 0.02 0.67 -0.17 0.00 0.21 0.00 0.00 66.02 66.74 1wj6 s SER 70 CO 0.14 -0.96 1.57 -0.61 0.41 0.00 0.00 173.24 173.78 1wj6 h GLN 71 N 1.44 -0.57 -0.96 12.44 5.75 -1.97 -2.66 115.11 128.58 1wj6 h GLN 71 Ca -0.40 0.04 0.31 0.00 -0.15 0.00 0.00 58.65 58.45 1wj6 h GLN 71 Cb 1.31 0.13 -0.18 0.00 1.07 0.00 0.00 27.48 29.81 1wj6 h GLN 71 CO 0.65 -0.34 0.17 0.41 -2.65 0.00 0.00 178.83 177.08 1wj6 n GLY 72 N -1.13 -1.13 0.22 2.39 0.00 -1.26 0.19 105.19 104.46 1wj6 n GLY 72 Ca -0.11 0.89 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 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 0.70 -0.07 1.61 5.08 -1.90 -2.93 114.58 117.08 1wj6 h GLU 73 Ca 0.65 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1wj6 h GLU 73 Cb 1.49 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1wj6 h GLU 73 CO -0.85 0.67 -0.01 -0.92 -1.00 0.00 0.00 179.01 176.89 1wj6 h TYR 74 N 0.59 0.15 -0.38 4.33 3.20 0.24 -3.03 116.97 122.07 1wj6 h TYR 74 Ca 0.15 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1wj6 h TYR 74 Cb 0.26 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1wj6 h TYR 74 CO 0.01 0.45 -0.25 0.93 -1.64 0.00 0.00 178.16 177.66 1wj6 h GLU 75 N -0.19 -0.03 -0.59 1.82 5.08 0.70 0.36 114.58 121.73 1wj6 h GLU 75 Ca 0.02 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1wj6 h GLU 75 Cb 0.40 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 1wj6 h GLU 75 CO 0.01 -0.02 -0.42 0.93 -1.00 0.00 0.00 179.01 178.51 1wj6 h GLU 76 N -0.03 -0.21 -0.86 2.33 4.39 -1.58 0.59 114.58 119.20 1wj6 h GLU 76 Ca 0.06 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.99 1wj6 h GLU 76 Cb 0.19 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 28.76 1wj6 h GLU 76 CO -0.38 -0.14 0.32 0.00 -1.16 0.00 0.00 179.01 177.66 1wj6 h ALA 77 N 0.68 1.32 -0.47 3.43 0.00 -0.90 1.16 119.26 124.48 1wj6 h ALA 77 Ca 0.19 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1wj6 h ALA 77 Cb 0.56 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1wj6 h ALA 77 CO -0.69 -0.37 0.03 -0.07 0.00 0.00 0.00 179.25 178.16 1wj6 h LEU 78 N 0.34 0.72 -0.71 0.00 3.38 0.39 0.15 115.31 119.58 1wj6 h LEU 78 Ca 0.53 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 1wj6 h LEU 78 Cb 1.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1wj6 h LEU 78 CO -0.55 0.77 0.02 0.11 0.09 0.00 0.00 178.44 178.87 1wj6 h LYS 79 N 0.72 1.01 -0.30 1.13 1.57 0.47 -2.78 116.57 118.39 1wj6 h LYS 79 Ca 0.15 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.45 1wj6 h LYS 79 Cb 0.39 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1wj6 h LYS 79 CO 0.01 0.98 -0.50 1.98 -0.57 0.00 0.00 179.45 181.36 1wj6 h MET 80 N 0.93 0.82 -0.83 3.15 4.05 0.33 -3.06 114.93 120.33 1wj6 h MET 80 Ca 0.17 -0.49 0.14 0.00 -0.28 0.00 0.00 59.70 59.24 1wj6 h MET 80 Cb 0.51 0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 31.27 1wj6 h MET 80 CO 0.02 1.13 0.41 0.00 0.23 0.00 0.00 176.91 178.70 1wj6 h ALA 81 N 0.78 1.23 -0.68 0.39 0.00 -0.47 0.19 119.26 120.70 1wj6 h ALA 81 Ca 0.03 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1wj6 h ALA 81 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1wj6 h ALA 81 CO 0.11 -0.11 0.32 0.28 0.00 0.00 0.00 179.25 179.85 1wj6 h VAL 82 N 0.59 0.82 -0.14 0.00 2.07 -1.39 0.23 116.25 118.43 1wj6 h VAL 82 Ca 0.45 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.81 1wj6 h VAL 82 Cb 0.64 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1wj6 h VAL 82 CO -0.36 0.10 0.00 0.11 0.02 0.00 0.00 177.57 177.44 1wj6 h LYS 83 N 0.54 0.05 0.42 1.57 1.57 -0.69 -3.11 116.57 116.92 1wj6 h LYS 83 Ca 0.34 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1wj6 h LYS 83 Cb 0.38 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wj6 h LYS 83 CO -0.28 0.03 -0.28 1.96 -0.57 0.00 0.00 179.45 180.31 1wj6 h GLN 84 N 0.05 -0.64 0.00 3.15 4.20 -0.27 -3.46 115.11 118.15 1wj6 h GLN 84 Ca 0.07 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1wj6 h GLN 84 Cb 0.08 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wj6 h GLN 84 CO -0.11 -0.43 0.00 0.41 -0.67 0.00 0.00 178.83 178.03 1wj6 n GLY 85 N -1.35 0.00 2.37 3.46 0.00 0.59 -4.93 105.19 105.34 1wj6 n GLY 85 Ca -0.08 0.00 -0.15 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 -4.57 -3.88 1.61 4.13 0.08 -4.89 115.26 107.75 1wj6 n ASN 86 Ca 0.00 -0.06 -0.10 0.00 1.68 0.00 0.00 54.58 56.10 1wj6 n ASN 86 Cb 0.00 -3.64 -0.08 0.00 -1.54 0.00 0.00 39.78 34.51 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 -4.89 0.70 -0.03 3.52 1.03 -1.12 0.18 119.66 119.05 1wj6 s GLN 87 Ca 0.05 -0.76 -0.01 0.00 0.04 0.00 0.00 55.36 54.69 1wj6 s GLN 87 Cb -0.02 0.28 0.02 0.00 0.03 0.00 0.00 33.01 33.32 1wj6 s GLN 87 CO 0.07 -0.20 0.05 -1.17 -2.54 0.00 0.00 175.29 171.50 1wj6 s LEU 88 N -2.30 1.35 -0.63 2.60 2.96 0.25 -4.19 118.68 118.71 1wj6 s LEU 88 Ca -0.02 0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.78 1wj6 s LEU 88 Cb 0.01 0.10 0.08 0.00 0.50 0.00 0.00 46.19 46.87 1wj6 s LEU 88 CO -0.06 -0.08 0.88 -1.10 -1.32 0.00 0.00 176.35 174.67 1wj6 s GLN 89 N 0.63 3.10 0.11 1.98 1.11 -1.26 0.04 119.66 125.36 1wj6 s GLN 89 Ca -0.05 -0.95 0.04 0.00 0.01 0.00 0.00 55.36 54.41 1wj6 s GLN 89 Cb -0.07 -4.23 -0.04 0.00 -1.01 0.00 0.00 33.01 27.66 1wj6 s GLN 89 CO -0.02 -1.72 0.08 -1.64 0.01 0.00 0.00 175.29 171.99 1wj6 s MET 90 N 3.65 2.81 -0.12 2.91 -1.94 0.52 -1.82 119.30 125.31 1wj6 s MET 90 Ca 0.19 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1wj6 s MET 90 Cb -0.19 -2.66 0.03 0.00 2.01 0.00 0.00 34.83 34.02 1wj6 s MET 90 CO 0.09 0.54 -0.04 -0.65 -0.01 0.00 0.00 175.02 174.95 1wj6 s GLN 91 N -2.57 1.21 0.23 2.03 -0.21 0.37 -0.04 119.66 120.68 1wj6 s GLN 91 Ca 0.29 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.15 1wj6 s GLN 91 Cb -0.11 -1.54 -0.09 0.00 1.00 0.00 0.00 33.01 32.26 1wj6 s GLN 91 CO 0.22 -0.33 1.21 0.08 -2.12 0.00 0.00 175.29 174.34 1wj6 s VAL 92 N 1.77 3.37 -0.34 1.09 1.01 -1.21 -0.30 120.40 125.79 1wj6 s VAL 92 Ca 0.04 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1wj6 s VAL 92 Cb -0.13 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.59 1wj6 s VAL 92 CO -0.07 0.23 0.17 -1.00 0.00 0.00 0.00 175.10 174.43 1wj6 s HIS 93 N -0.44 1.03 0.30 5.22 3.76 -1.25 -4.47 115.29 119.43 1wj6 s HIS 93 Ca 0.51 -1.60 -0.26 0.00 -0.15 0.00 0.00 55.06 53.56 1wj6 s HIS 93 Cb -0.34 -1.24 -0.15 0.00 1.11 0.00 0.00 32.58 31.97 1wj6 s HIS 93 CO 0.40 -0.83 0.71 0.39 -0.85 0.00 0.00 174.74 174.56 1wj6 n GLU 94 N 4.42 0.68 -0.04 1.40 -0.58 -1.26 0.19 120.64 125.44 1wj6 n GLU 94 Ca 0.04 0.24 -0.22 0.00 -0.42 0.00 0.00 57.16 56.80 1wj6 n GLU 94 Cb 0.39 -1.46 -0.13 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.65 -0.66 0.51 0.62 0.00 -0.57 -4.44 105.19 102.29 1wj6 n GLY 95 Ca 0.13 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.38 -1.25 -5.00 1.61 0.87 -1.91 -3.50 113.55 103.99 1wj6 h SER 96 Ca -0.41 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1wj6 h SER 96 Cb 1.74 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 64.07 1wj6 h SER 96 CO -0.05 -0.73 0.00 0.61 -0.53 0.00 0.00 176.83 176.14 1wj6 n GLY 97 N -1.60 2.72 3.58 5.77 0.00 -1.26 -4.88 105.19 109.51 1wj6 n GLY 97 Ca -0.14 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.82 3.22 -0.35 1.61 0.04 -1.26 -4.70 135.00 130.74 1wj6 s PRO 98 Ca 0.00 -1.43 -0.01 0.00 0.04 0.00 0.00 61.00 59.60 1wj6 s PRO 98 Cb 0.00 -5.36 0.19 0.00 0.04 0.00 0.00 34.50 29.36 1wj6 s PRO 98 CO 0.00 -3.06 0.81 -1.54 0.04 0.00 0.00 177.00 173.26 1wj6 s SER 99 N 5.55 -1.02 -0.10 6.66 1.04 -1.26 -5.06 113.70 119.51 1wj6 s SER 99 Ca 0.60 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.70 1wj6 s SER 99 Cb 0.01 1.40 0.01 0.00 0.10 0.00 0.00 66.02 67.54 1wj6 s SER 99 CO 0.08 -0.14 0.06 -1.20 0.98 0.00 0.00 173.24 173.02 1wj6 n SER 100 N 4.46 -5.74 0.00 7.02 7.64 -1.26 -5.15 113.62 120.59 1wj6 n SER 100 Ca 0.08 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1wj6 n SER 100 Cb 0.59 -3.11 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1wj6 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64