#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx7 s SER 2 N 0.00 6.51 -0.64 1.61 1.04 -1.26 -4.94 113.70 116.01 1wx7 s SER 2 Ca 0.00 1.82 -0.27 0.00 0.48 0.00 0.00 55.95 57.97 1wx7 s SER 2 Cb 0.00 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.62 1wx7 s SER 2 CO 0.00 -1.12 1.21 -0.55 0.98 0.00 0.00 173.24 173.77 1wx7 s SER 3 N 3.79 6.33 0.00 7.02 0.15 -1.26 -4.98 113.70 124.75 1wx7 s SER 3 Ca 0.71 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1wx7 s SER 3 Cb -0.27 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1wx7 s SER 3 CO 0.28 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.72 1wx7 n GLY 4 N 5.19 -1.14 3.88 9.45 0.00 -1.26 -4.80 105.19 116.51 1wx7 n GLY 4 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1wx7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx7 s SER 5 N -2.46 6.43 -0.42 1.61 0.01 -1.26 -4.87 113.70 112.74 1wx7 s SER 5 Ca 0.00 1.21 -0.36 0.00 1.31 0.00 0.00 55.95 58.11 1wx7 s SER 5 Cb 0.00 -2.36 -0.16 0.00 0.21 0.00 0.00 66.02 63.71 1wx7 s SER 5 CO 0.00 -0.55 1.76 -1.20 0.41 0.00 0.00 173.24 173.66 1wx7 n SER 6 N -1.82 0.61 -1.47 2.44 7.64 -1.26 -0.70 113.62 119.06 1wx7 n SER 6 Ca 0.03 0.55 -0.02 0.00 1.01 0.00 0.00 58.87 60.44 1wx7 n SER 6 Cb 0.54 -0.74 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 1wx7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx7 n GLY 7 N 6.13 0.42 3.16 0.23 0.00 -1.26 -5.01 105.19 108.85 1wx7 n GLY 7 Ca 0.45 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1wx7 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wx7 s SER 8 N -3.15 6.24 0.83 1.61 0.15 0.12 -5.05 113.70 114.47 1wx7 s SER 8 Ca 0.02 -3.64 -0.11 0.00 0.70 0.00 0.00 55.95 52.92 1wx7 s SER 8 Cb -0.00 -1.97 0.09 0.00 -1.71 0.00 0.00 66.02 62.43 1wx7 s SER 8 CO 0.10 -0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.26 1wx7 s PRO 9 N -1.25 1.77 0.02 5.44 0.04 -1.26 -4.19 135.00 135.56 1wx7 s PRO 9 Ca 0.27 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.34 1wx7 s PRO 9 Cb -0.08 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1wx7 s PRO 9 CO -0.11 -1.94 -0.03 0.00 0.04 0.00 0.00 177.00 174.96 1wx7 s ALA 10 N -2.92 3.17 1.05 8.56 0.00 -1.26 -5.03 121.76 125.33 1wx7 s ALA 10 Ca 0.62 -1.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1wx7 s ALA 10 Cb -0.18 -1.21 0.22 0.00 0.00 0.00 0.00 23.12 21.95 1wx7 s ALA 10 CO 0.56 0.64 1.10 -1.25 0.00 0.00 0.00 175.76 176.81 1wx7 s PRO 11 N -1.66 -0.03 0.74 0.00 0.04 -1.26 -5.03 135.00 127.81 1wx7 s PRO 11 Ca 0.20 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 1wx7 s PRO 11 Cb -0.11 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.77 1wx7 s PRO 11 CO 0.11 -3.01 1.08 0.14 0.04 0.00 0.00 177.00 175.36 1wx7 s VAL 12 N -2.97 3.61 0.41 -0.36 -7.23 -1.26 -5.05 120.40 107.55 1wx7 s VAL 12 Ca 0.67 0.52 -0.01 0.00 -1.81 0.00 0.00 61.98 61.35 1wx7 s VAL 12 Cb -0.17 -3.18 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1wx7 s VAL 12 CO 0.57 -0.68 0.65 0.00 -0.31 0.00 0.00 175.10 175.33 1wx7 s GLN 13 N -5.02 3.37 0.01 4.82 -2.07 -1.26 -5.11 119.66 114.40 1wx7 s GLN 13 Ca 0.60 -0.24 -0.00 0.00 -1.82 0.00 0.00 55.36 53.90 1wx7 s GLN 13 Cb -0.15 -2.56 -0.01 0.00 -1.09 0.00 0.00 33.01 29.20 1wx7 s GLN 13 CO 0.55 -0.07 -0.01 -0.51 -1.32 0.00 0.00 175.29 173.93 1wx7 s ASP 14 N -4.11 0.09 0.00 12.60 1.01 -1.26 -5.12 116.67 119.88 1wx7 s ASP 14 Ca 0.44 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1wx7 s ASP 14 Cb -0.10 0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.87 1wx7 s ASP 14 CO 0.39 -0.12 0.00 -0.81 0.21 0.00 0.00 175.17 174.84 1wx7 n PRO 15 N 2.51 0.00 -0.25 8.23 -0.04 -1.26 -4.69 135.00 139.50 1wx7 n PRO 15 Ca -0.17 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1wx7 n PRO 15 Cb 0.58 -0.24 0.18 0.00 -0.04 0.00 0.00 33.50 33.99 1wx7 n PRO 15 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wx7 n HIS 16 N 0.00 0.51 -1.45 0.54 8.25 -1.26 -5.01 115.22 116.79 1wx7 n HIS 16 Ca 0.00 -0.81 -0.45 0.00 -0.26 0.00 0.00 57.72 56.19 1wx7 n HIS 16 Cb 0.00 -0.20 -0.11 0.00 1.12 0.00 0.00 29.99 30.81 1wx7 n HIS 16 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1wx7 n LEU 17 N -0.60 1.13 -4.98 2.41 -0.00 -1.26 -3.42 117.00 110.27 1wx7 n LEU 17 Ca 0.16 0.19 -0.21 0.00 -0.00 0.00 0.00 56.01 56.15 1wx7 n LEU 17 Cb 0.68 -1.11 0.02 0.00 -0.00 0.00 0.00 43.42 43.02 1wx7 n LEU 17 CO 0.09 -0.89 0.20 0.27 -0.00 0.00 0.00 177.39 177.05 1wx7 s ILE 18 N 8.74 2.29 -0.02 1.96 -4.36 0.17 -4.83 121.20 125.15 1wx7 s ILE 18 Ca 1.21 -1.15 0.01 0.00 -0.26 0.00 0.00 60.65 60.46 1wx7 s ILE 18 Cb -1.02 -2.44 -0.03 0.00 1.25 0.00 0.00 42.46 40.22 1wx7 s ILE 18 CO 0.48 0.00 -0.01 -0.75 0.24 0.00 0.00 174.94 174.89 1wx7 s LYS 19 N -4.45 2.79 -0.04 0.37 2.36 -1.26 -0.30 119.74 119.20 1wx7 s LYS 19 Ca 0.53 -0.58 -0.02 0.00 -2.55 0.00 0.00 55.97 53.35 1wx7 s LYS 19 Cb -0.06 -2.66 0.03 0.00 -1.05 0.00 0.00 37.83 34.10 1wx7 s LYS 19 CO 0.33 0.64 0.07 0.08 1.55 0.00 0.00 175.35 178.01 1wx7 s VAL 20 N -1.01 -0.11 -0.24 4.02 1.01 0.95 -2.64 120.40 122.37 1wx7 s VAL 20 Ca 0.17 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.37 1wx7 s VAL 20 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1wx7 s VAL 20 CO 0.08 0.16 0.41 -0.89 0.00 0.00 0.00 175.10 174.86 1wx7 s THR 21 N 1.96 5.16 -0.42 3.92 2.01 -0.92 0.61 115.64 127.96 1wx7 s THR 21 Ca 0.02 0.69 -0.20 0.00 0.31 0.00 0.00 61.69 62.50 1wx7 s THR 21 Cb -0.12 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1wx7 s THR 21 CO -0.03 0.18 0.63 -0.69 -0.69 0.00 0.00 174.62 174.01 1wx7 s VAL 22 N 1.85 4.85 -0.45 3.82 1.01 0.51 -0.15 120.40 131.83 1wx7 s VAL 22 Ca 0.18 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 1wx7 s VAL 22 Cb -0.15 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1wx7 s VAL 22 CO 0.09 -0.54 0.50 -0.54 0.00 0.00 0.00 175.10 174.61 1wx7 s LYS 23 N 2.77 3.10 0.20 2.72 1.02 0.73 -2.18 119.74 128.11 1wx7 s LYS 23 Ca 0.22 -0.85 0.08 0.00 0.02 0.00 0.00 55.97 55.45 1wx7 s LYS 23 Cb -0.14 -4.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 1wx7 s LYS 23 CO 0.18 -0.99 -0.03 0.95 -0.92 0.00 0.00 175.35 174.54 1wx7 s THR 24 N 2.26 3.48 -2.00 2.17 -4.23 0.74 0.19 115.64 118.25 1wx7 s THR 24 Ca 0.13 -1.64 0.09 0.00 -1.18 0.00 0.00 61.69 59.08 1wx7 s THR 24 Cb -0.18 -2.78 0.25 0.00 1.34 0.00 0.00 72.50 71.13 1wx7 s THR 24 CO 0.13 -0.19 0.97 -0.81 -0.54 0.00 0.00 174.62 174.17 1wx7 n PRO 25 N -0.30 0.48 0.00 3.99 -0.04 -1.26 -2.50 135.00 135.37 1wx7 n PRO 25 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1wx7 n PRO 25 Cb 0.56 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1wx7 n PRO 25 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wx7 n LYS 26 N -0.78 2.40 -3.81 0.54 4.76 -1.26 -5.12 118.16 114.88 1wx7 n LYS 26 Ca 0.07 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.52 1wx7 n LYS 26 Cb 0.03 -0.86 0.01 0.00 -1.84 0.00 0.00 35.03 32.37 1wx7 n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wx7 s ASP 27 N -2.04 -0.02 -0.06 4.39 1.01 -1.04 -5.17 116.67 113.73 1wx7 s ASP 27 Ca 0.00 -0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.02 1wx7 s ASP 27 Cb 0.00 0.17 0.02 0.00 1.01 0.00 0.00 42.92 44.12 1wx7 s ASP 27 CO 0.00 -0.33 0.15 -1.59 0.21 0.00 0.00 175.17 173.60 1wx7 s LYS 28 N -2.21 0.14 0.01 8.23 0.00 -1.26 -0.19 119.74 124.47 1wx7 s LYS 28 Ca 0.22 0.26 -0.02 0.00 0.00 0.00 0.00 55.97 56.43 1wx7 s LYS 28 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 37.83 37.83 1wx7 s LYS 28 CO -0.02 -0.07 0.03 -2.00 0.00 0.00 0.00 175.35 173.29 1wx7 s GLU 29 N 0.45 0.36 0.09 1.78 2.56 -0.93 -4.98 118.70 118.04 1wx7 s GLU 29 Ca -0.03 -0.52 -0.14 0.00 0.00 0.00 0.00 54.97 54.28 1wx7 s GLU 29 Cb -0.05 0.14 -0.06 0.00 2.00 0.00 0.00 34.13 36.16 1wx7 s GLU 29 CO -0.02 -0.07 0.49 -0.51 -0.56 0.00 0.00 175.26 174.59 1wx7 s ASP 30 N -1.38 6.82 0.24 -1.70 1.01 -1.26 -0.36 116.67 120.03 1wx7 s ASP 30 Ca -0.15 1.02 0.05 0.00 0.71 0.00 0.00 52.55 54.18 1wx7 s ASP 30 Cb -0.09 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1wx7 s ASP 30 CO -0.00 0.19 -0.04 -0.36 0.21 0.00 0.00 175.17 175.17 1wx7 s PHE 31 N -1.32 1.68 -0.17 4.23 0.40 0.20 -4.95 117.98 118.05 1wx7 s PHE 31 Ca 0.33 -0.81 -0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1wx7 s PHE 31 Cb -0.16 -0.95 0.05 0.00 0.51 0.00 0.00 43.02 42.47 1wx7 s PHE 31 CO 0.18 0.11 0.00 -1.54 0.70 0.00 0.00 175.22 174.67 1wx7 s SER 32 N -3.34 2.69 0.08 1.36 1.04 -1.26 -0.04 113.70 114.23 1wx7 s SER 32 Ca 0.27 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 1wx7 s SER 32 Cb 0.04 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.50 1wx7 s SER 32 CO 0.09 -0.25 0.27 0.68 0.98 0.00 0.00 173.24 175.00 1wx7 s VAL 33 N 1.80 0.11 0.31 5.02 -7.23 0.59 -4.92 120.40 116.08 1wx7 s VAL 33 Ca 0.00 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 1wx7 s VAL 33 Cb -0.16 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 1wx7 s VAL 33 CO -0.07 -0.49 1.22 0.42 -0.31 0.00 0.00 175.10 175.87 1wx7 s THR 34 N -3.36 3.05 0.50 5.32 -4.23 -1.26 0.44 115.64 116.09 1wx7 s THR 34 Ca 0.01 1.05 0.25 0.00 -1.18 0.00 0.00 61.69 61.82 1wx7 s THR 34 Cb 0.02 -3.67 0.42 0.00 1.34 0.00 0.00 72.50 70.62 1wx7 s THR 34 CO -0.08 0.25 1.91 -2.24 -0.54 0.00 0.00 174.62 173.92 1wx7 h ASP 35 N 3.54 0.13 0.68 3.99 3.04 -1.91 0.50 116.42 126.39 1wx7 h ASP 35 Ca -0.48 0.01 -0.02 0.00 -3.24 0.00 0.00 57.03 53.30 1wx7 h ASP 35 Cb 1.22 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.49 1wx7 h ASP 35 CO 0.66 0.06 -0.11 0.00 -2.04 0.00 0.00 179.24 177.81 1wx7 h THR 36 N 0.13 0.36 -2.87 1.15 1.03 -1.90 -2.10 112.91 108.71 1wx7 h THR 36 Ca 0.38 -0.66 -0.59 0.00 -0.01 0.00 0.00 66.41 65.53 1wx7 h THR 36 Cb 1.31 1.49 0.15 0.00 -1.07 0.00 0.00 68.15 70.03 1wx7 h THR 36 CO -0.05 0.11 -0.20 0.00 -0.01 0.00 0.00 175.52 175.37 1wx7 s THR 38 N -1.51 5.13 0.17 0.00 -4.23 -1.26 -1.44 115.64 112.50 1wx7 s THR 38 Ca 0.67 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 1wx7 s THR 38 Cb -0.52 -3.85 0.05 0.00 1.34 0.00 0.00 72.50 69.52 1wx7 s THR 38 CO 0.55 -0.50 1.78 0.40 -0.54 0.00 0.00 174.62 176.31 1wx7 h ILE 39 N 0.86 0.98 -0.69 2.99 1.08 -1.67 -1.91 117.51 119.16 1wx7 h ILE 39 Ca -0.50 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.82 1wx7 h ILE 39 Cb 1.22 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1wx7 h ILE 39 CO 0.62 0.08 0.46 0.06 -0.69 0.00 0.00 178.15 178.68 1wx7 h GLN 40 N 0.46 0.90 -0.71 2.37 -0.00 -1.86 -2.17 115.11 114.10 1wx7 h GLN 40 Ca 0.19 -0.05 0.02 0.00 -0.00 0.00 0.00 58.65 58.81 1wx7 h GLN 40 Cb 0.09 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.48 27.33 1wx7 h GLN 40 CO -0.13 0.60 0.46 1.96 -0.00 0.00 0.00 178.83 181.71 1wx7 h GLN 41 N 0.93 0.88 -0.50 0.06 4.20 -1.72 -2.52 115.11 116.44 1wx7 h GLN 41 Ca 0.25 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 1wx7 h GLN 41 Cb -0.10 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 1wx7 h GLN 41 CO -0.06 0.58 0.00 1.25 -0.67 0.00 0.00 178.83 179.94 1wx7 h LEU 42 N 0.91 0.87 -0.75 1.46 5.85 -1.11 -3.05 115.31 119.48 1wx7 h LEU 42 Ca 0.28 -0.31 0.17 0.00 0.84 0.00 0.00 57.88 58.86 1wx7 h LEU 42 Cb -0.03 -0.23 -0.13 0.00 0.37 0.00 0.00 40.66 40.64 1wx7 h LEU 42 CO -0.09 0.96 0.02 0.11 -0.34 0.00 0.00 178.44 179.11 1wx7 h LYS 43 N 0.75 0.11 0.00 1.25 1.79 -0.98 0.88 116.57 120.37 1wx7 h LYS 43 Ca 0.14 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1wx7 h LYS 43 Cb 0.52 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1wx7 h LYS 43 CO 0.03 0.07 -0.11 0.93 -1.08 0.00 0.00 179.45 179.29 1wx7 h GLU 44 N 0.12 0.00 0.08 3.15 5.08 -1.42 -0.72 114.58 120.87 1wx7 h GLU 44 Ca 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1wx7 h GLU 44 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1wx7 h GLU 44 CO -0.64 0.11 -0.04 0.93 -1.00 0.00 0.00 179.01 178.37 1wx7 h GLU 45 N 0.00 -0.11 0.00 2.33 4.39 0.67 -3.29 114.58 118.57 1wx7 h GLU 45 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wx7 h GLU 45 Cb 0.24 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1wx7 h GLU 45 CO 0.01 -0.07 0.00 0.44 -1.16 0.00 0.00 179.01 178.23 1wx7 n ILE 46 N -4.46 1.53 -0.27 3.13 -5.35 0.26 -2.11 119.36 112.09 1wx7 n ILE 46 Ca -0.01 0.57 -0.05 0.00 -0.27 0.00 0.00 62.75 62.99 1wx7 n ILE 46 Cb 0.04 -1.56 0.06 0.00 -1.74 0.00 0.00 39.64 36.45 1wx7 n ILE 46 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1wx7 h SER 47 N 0.00 0.87 0.31 7.28 0.87 -1.19 0.17 113.55 121.86 1wx7 h SER 47 Ca 0.00 -0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 60.19 1wx7 h SER 47 Cb 0.03 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1wx7 h SER 47 CO 0.00 0.65 -1.56 0.06 -0.53 0.00 0.00 176.83 175.45 1wx7 h GLN 48 N 1.01 0.42 -0.70 2.24 3.07 -1.59 0.71 115.11 120.26 1wx7 h GLN 48 Ca 0.27 -0.71 -0.03 0.00 0.09 0.00 0.00 58.65 58.27 1wx7 h GLN 48 Cb -0.08 0.26 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 1wx7 h GLN 48 CO -0.05 1.32 0.31 -0.09 0.09 0.00 0.00 178.83 180.41 1wx7 h ARG 49 N 0.11 1.02 0.00 0.06 9.65 -1.51 -2.93 114.38 120.79 1wx7 h ARG 49 Ca -0.27 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 1wx7 h ARG 49 Cb 2.10 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.50 1wx7 h ARG 49 CO 0.22 0.81 -0.89 1.19 2.80 0.00 0.00 179.97 184.10 1wx7 n PHE 50 N -4.31 0.00 -3.19 2.20 3.72 0.58 -5.01 117.46 111.45 1wx7 n PHE 50 Ca 0.06 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.32 1wx7 n PHE 50 Cb 0.16 -0.04 0.07 0.00 -0.94 0.00 0.00 39.48 38.74 1wx7 n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wx7 n LYS 51 N -1.46 -5.35 -3.77 -1.08 4.76 0.21 -5.03 118.16 106.44 1wx7 n LYS 51 Ca 0.03 0.72 -0.14 0.00 -2.87 0.00 0.00 58.31 56.05 1wx7 n LYS 51 Cb 0.28 -5.34 -0.15 0.00 -1.84 0.00 0.00 35.03 27.99 1wx7 n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wx7 s ALA 52 N -3.31 -0.17 0.36 7.82 0.00 0.11 -4.99 121.76 121.58 1wx7 s ALA 52 Ca 0.03 0.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.21 1wx7 s ALA 52 Cb -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 23.12 22.66 1wx7 s ALA 52 CO 0.62 -0.12 1.20 1.58 0.00 0.00 0.00 175.76 179.03 1wx7 n HIS 53 N 3.95 1.92 0.94 0.00 -0.00 -1.26 -4.20 115.22 116.57 1wx7 n HIS 53 Ca -0.24 0.57 0.08 0.00 0.46 0.00 0.00 57.72 58.59 1wx7 n HIS 53 Cb 0.53 -2.35 0.45 0.00 -0.12 0.00 0.00 29.99 28.50 1wx7 n HIS 53 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1wx7 n PRO 54 N 0.44 0.45 0.00 1.57 -0.04 -1.26 -2.23 135.00 133.94 1wx7 n PRO 54 Ca 0.07 0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.69 1wx7 n PRO 54 Cb 0.36 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.90 1wx7 n PRO 54 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wx7 n ASP 55 N -1.04 1.04 0.00 3.54 2.03 -1.26 -4.13 116.55 116.74 1wx7 n ASP 55 Ca 0.11 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.23 1wx7 n ASP 55 Cb 0.06 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1wx7 n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wx7 n GLN 56 N -0.30 1.43 -1.69 -0.67 10.64 -0.95 -4.98 117.38 120.86 1wx7 n GLN 56 Ca 0.18 0.00 -0.56 0.00 -1.83 0.00 0.00 57.00 54.79 1wx7 n GLN 56 Cb 0.30 -0.86 -0.07 0.00 -0.86 0.00 0.00 30.24 28.76 1wx7 n GLN 56 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1wx7 n LEU 57 N -1.89 2.36 -4.14 2.61 4.77 -1.16 -3.12 117.00 116.43 1wx7 n LEU 57 Ca 0.00 1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 56.72 1wx7 n LEU 57 Cb 0.36 -1.16 -0.15 0.00 -2.33 0.00 0.00 43.42 40.13 1wx7 n LEU 57 CO 0.00 -0.49 -0.49 -0.69 -1.33 0.00 0.00 177.39 174.39 1wx7 s VAL 58 N 3.14 2.28 -0.19 4.08 1.01 -0.02 -4.96 120.40 125.74 1wx7 s VAL 58 Ca 0.96 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1wx7 s VAL 58 Cb -1.03 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1wx7 s VAL 58 CO 0.62 0.41 0.30 -0.76 0.00 0.00 0.00 175.10 175.66 1wx7 s LEU 59 N 1.28 4.19 -0.10 3.92 1.43 -1.26 0.28 118.68 128.43 1wx7 s LEU 59 Ca 0.02 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1wx7 s LEU 59 Cb -0.15 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1wx7 s LEU 59 CO -0.10 0.04 -0.23 -0.63 0.23 0.00 0.00 176.35 175.67 1wx7 s ILE 60 N 0.81 1.95 -0.11 -0.59 1.01 -0.91 -2.30 121.20 121.07 1wx7 s ILE 60 Ca 0.15 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 1wx7 s ILE 60 Cb -0.13 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.68 1wx7 s ILE 60 CO 0.05 0.54 0.41 0.12 0.00 0.00 0.00 174.94 176.06 1wx7 s PHE 61 N 0.39 -0.40 -1.48 3.97 2.19 -0.56 -2.69 117.98 119.41 1wx7 s PHE 61 Ca -0.18 0.88 0.00 0.00 0.33 0.00 0.00 56.93 57.96 1wx7 s PHE 61 Cb -0.18 0.16 0.00 0.00 -1.31 0.00 0.00 43.02 41.69 1wx7 s PHE 61 CO 0.08 -0.30 0.00 0.00 1.83 0.00 0.00 175.22 176.83 1wx7 n ALA 62 N 2.24 -0.64 -1.65 11.12 0.00 -1.26 -0.47 120.51 129.86 1wx7 n ALA 62 Ca -0.16 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1wx7 n ALA 62 Cb 0.57 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 1wx7 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wx7 n GLY 63 N -0.83 0.82 3.03 0.00 0.00 -1.26 -5.00 105.19 101.95 1wx7 n GLY 63 Ca -0.19 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1wx7 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wx7 s LYS 64 N -3.56 0.23 -0.28 1.61 -2.85 0.38 -5.12 119.74 110.15 1wx7 s LYS 64 Ca 0.00 0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 54.71 1wx7 s LYS 64 Cb 0.00 0.10 -0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1wx7 s LYS 64 CO 0.00 -0.04 1.35 0.42 0.10 0.00 0.00 175.35 177.18 1wx7 s ILE 65 N -0.30 4.07 0.25 3.79 -1.09 -1.26 -1.49 121.20 125.16 1wx7 s ILE 65 Ca -0.04 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.29 1wx7 s ILE 65 Cb -0.03 -4.08 -0.14 0.00 -1.58 0.00 0.00 42.46 36.63 1wx7 s ILE 65 CO 0.00 -0.44 1.24 0.18 -1.23 0.00 0.00 174.94 174.69 1wx7 n LEU 66 N 7.74 2.45 -4.90 2.97 4.77 -0.97 -4.97 117.00 124.09 1wx7 n LEU 66 Ca 0.15 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 57.00 1wx7 n LEU 66 Cb 0.46 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 1wx7 n LEU 66 CO 0.63 -0.91 0.16 -0.54 -1.33 0.00 0.00 177.39 175.40 1wx7 s LYS 67 N -0.85 3.64 0.08 3.23 -0.14 -1.26 -4.88 119.74 119.56 1wx7 s LYS 67 Ca 0.66 -0.01 -0.31 0.00 -1.36 0.00 0.00 55.97 54.95 1wx7 s LYS 67 Cb -0.70 -2.70 -0.18 0.00 -1.68 0.00 0.00 37.83 32.57 1wx7 s LYS 67 CO 0.54 0.29 1.64 -0.44 -0.76 0.00 0.00 175.35 176.62 1wx7 h ASP 68 N 2.03 -0.70 0.00 2.83 5.19 -1.95 -2.04 116.42 121.78 1wx7 h ASP 68 Ca -0.47 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1wx7 h ASP 68 Cb 1.18 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1wx7 h ASP 68 CO 0.68 -0.48 0.00 -0.81 -3.12 0.00 0.00 179.24 175.51 1wx7 n PRO 69 N -5.43 0.49 -3.56 3.56 -0.04 -1.26 -3.41 135.00 125.34 1wx7 n PRO 69 Ca -0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 1wx7 n PRO 69 Cb 0.33 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 1wx7 n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wx7 s ASP 70 N -1.78 5.72 0.92 3.54 1.11 -0.77 -5.04 116.67 120.37 1wx7 s ASP 70 Ca 0.13 -1.62 -0.10 0.00 0.18 0.00 0.00 52.55 51.14 1wx7 s ASP 70 Cb 0.06 -2.02 0.15 0.00 1.07 0.00 0.00 42.92 42.18 1wx7 s ASP 70 CO 0.10 -0.60 1.14 -0.94 1.18 0.00 0.00 175.17 176.05 1wx7 s SER 71 N 2.36 2.84 0.36 0.27 1.04 -1.26 -3.89 113.70 115.42 1wx7 s SER 71 Ca 0.04 2.17 0.15 0.00 0.48 0.00 0.00 55.95 58.78 1wx7 s SER 71 Cb -0.24 -2.56 1.03 0.00 0.10 0.00 0.00 66.02 64.35 1wx7 s SER 71 CO 0.02 -3.15 1.73 -0.07 0.98 0.00 0.00 173.24 172.74 1wx7 h LEU 72 N -1.90 0.54 -0.80 2.42 3.38 -0.58 0.80 115.31 119.17 1wx7 h LEU 72 Ca -0.44 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 1wx7 h LEU 72 Cb 1.27 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1wx7 h LEU 72 CO 0.42 0.04 -0.59 0.00 0.09 0.00 0.00 178.44 178.40 1wx7 h ALA 73 N 1.70 1.00 -0.05 1.53 0.00 -1.58 0.76 119.26 122.62 1wx7 h ALA 73 Ca 0.65 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1wx7 h ALA 73 Cb 1.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1wx7 h ALA 73 CO -0.43 0.73 -0.68 1.96 0.00 0.00 0.00 179.25 180.83 1wx7 h GLN 74 N 0.00 0.22 0.00 0.00 4.20 0.27 -3.07 115.11 116.73 1wx7 h GLN 74 Ca -0.01 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 1wx7 h GLN 74 Cb 1.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1wx7 h GLN 74 CO 0.08 0.82 -0.40 0.00 -0.67 0.00 0.00 178.83 178.65 1wx7 n GLY 76 N 1.19 1.15 3.75 0.00 0.00 -0.86 -4.85 105.19 105.57 1wx7 n GLY 76 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1wx7 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wx7 s VAL 77 N -2.00 3.60 0.19 1.61 1.01 0.26 -4.97 120.40 120.11 1wx7 s VAL 77 Ca 0.00 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.59 1wx7 s VAL 77 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1wx7 s VAL 77 CO 0.00 0.36 0.12 0.54 0.00 0.00 0.00 175.10 176.12 1wx7 n ARG 78 N 1.42 0.44 -2.40 2.72 5.12 -1.26 -3.97 116.66 118.73 1wx7 n ARG 78 Ca -0.01 -1.78 -0.40 0.00 -1.93 0.00 0.00 57.85 53.73 1wx7 n ARG 78 Cb 0.45 1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 32.97 1wx7 n ARG 78 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1wx7 s ASP 79 N -2.27 5.92 0.00 0.55 -4.77 -1.26 -2.74 116.67 112.10 1wx7 s ASP 79 Ca 0.17 -0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.04 1wx7 s ASP 79 Cb 0.01 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1wx7 s ASP 79 CO 0.12 -1.99 0.00 0.61 0.70 0.00 0.00 175.17 174.61 1wx7 n GLY 80 N 5.71 1.46 3.96 2.12 0.00 -1.08 -4.83 105.19 112.53 1wx7 n GLY 80 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1wx7 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wx7 s LEU 81 N 0.00 3.40 0.17 0.99 1.43 -1.11 -4.98 118.68 118.59 1wx7 s LEU 81 Ca 0.00 0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1wx7 s LEU 81 Cb 0.00 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1wx7 s LEU 81 CO 0.00 -0.99 -0.21 -0.89 0.23 0.00 0.00 176.35 174.49 1wx7 s THR 82 N -2.70 2.04 -0.11 5.49 2.01 -1.26 -2.16 115.64 118.96 1wx7 s THR 82 Ca 0.54 -1.95 -0.03 0.00 0.31 0.00 0.00 61.69 60.56 1wx7 s THR 82 Cb -0.10 -1.95 0.05 0.00 0.01 0.00 0.00 72.50 70.51 1wx7 s THR 82 CO 0.38 -0.22 0.11 -0.69 -0.69 0.00 0.00 174.62 173.51 1wx7 s VAL 83 N -1.85 -0.16 -0.54 3.82 1.01 0.78 -4.91 120.40 118.56 1wx7 s VAL 83 Ca 0.17 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1wx7 s VAL 83 Cb -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1wx7 s VAL 83 CO 0.08 -0.01 1.71 -1.00 0.00 0.00 0.00 175.10 175.88 1wx7 s HIS 84 N 2.21 1.88 0.24 5.22 3.76 -1.09 -0.19 115.29 127.31 1wx7 s HIS 84 Ca 0.04 0.65 -0.15 0.00 -0.15 0.00 0.00 55.06 55.45 1wx7 s HIS 84 Cb -0.14 -4.19 -0.08 0.00 1.11 0.00 0.00 32.58 29.28 1wx7 s HIS 84 CO -0.06 -2.34 0.65 -1.17 -0.85 0.00 0.00 174.74 170.96 1wx7 s LEU 85 N 7.70 4.22 -0.18 0.89 2.96 0.51 -2.14 118.68 132.64 1wx7 s LEU 85 Ca 0.65 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 55.71 1wx7 s LEU 85 Cb -0.14 -3.69 0.06 0.00 0.50 0.00 0.00 46.19 42.92 1wx7 s LEU 85 CO 0.24 -0.05 0.06 -0.69 -1.32 0.00 0.00 176.35 174.59 1wx7 s VAL 86 N -1.72 0.27 -0.35 1.68 1.01 0.14 -4.08 120.40 117.36 1wx7 s VAL 86 Ca 0.46 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 1wx7 s VAL 86 Cb -0.13 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1wx7 s VAL 86 CO 0.19 -0.21 0.93 -0.63 0.00 0.00 0.00 175.10 175.38 1wx7 s ILE 87 N 1.97 4.60 0.43 2.22 1.09 -1.26 -0.84 121.20 129.42 1wx7 s ILE 87 Ca 0.00 1.29 0.21 0.00 -1.10 0.00 0.00 60.65 61.05 1wx7 s ILE 87 Cb -0.16 -4.32 0.24 0.00 -1.06 0.00 0.00 42.46 37.15 1wx7 s ILE 87 CO -0.08 -0.48 2.03 0.11 -0.10 0.00 0.00 174.94 176.42 1wx7 h LYS 88 N 8.35 0.00 -5.44 2.79 1.79 -1.92 -3.47 116.57 118.68 1wx7 h LYS 88 Ca -0.23 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.89 1wx7 h LYS 88 Cb 1.08 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.86 1wx7 h LYS 88 CO 0.98 0.16 -0.65 0.54 -1.08 0.00 0.00 179.45 179.40 1wx7 n ARG 89 N -3.95 -7.04 -2.87 3.15 5.12 -1.26 -4.95 116.66 104.86 1wx7 n ARG 89 Ca -0.02 0.77 -0.23 0.00 -1.93 0.00 0.00 57.85 56.44 1wx7 n ARG 89 Cb 0.25 -5.62 -0.02 0.00 -1.16 0.00 0.00 32.46 25.91 1wx7 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1wx7 n GLN 90 N -4.46 2.50 -3.44 5.56 1.13 -1.26 -5.01 117.38 112.40 1wx7 n GLN 90 Ca -0.06 -4.25 0.01 0.00 -1.94 0.00 0.00 57.00 50.76 1wx7 n GLN 90 Cb 0.58 -2.00 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 1wx7 n GLN 90 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1wx7 s HIS 91 N -3.20 -1.05 -0.32 1.08 2.46 -1.26 -4.88 115.29 108.12 1wx7 s HIS 91 Ca 0.44 1.65 0.02 0.00 0.47 0.00 0.00 55.06 57.64 1wx7 s HIS 91 Cb 0.34 0.57 0.08 0.00 -0.13 0.00 0.00 32.58 33.44 1wx7 s HIS 91 CO -0.12 -0.54 0.01 1.03 -2.47 0.00 0.00 174.74 172.66 1wx7 s ARG 92 N 2.72 1.87 0.12 2.88 1.81 -1.26 -4.71 118.95 122.38 1wx7 s ARG 92 Ca -0.01 -1.64 -0.04 0.00 -1.72 0.00 0.00 55.73 52.32 1wx7 s ARG 92 Cb -0.10 -3.14 -0.05 0.00 -0.45 0.00 0.00 34.95 31.21 1wx7 s ARG 92 CO -0.18 -0.80 0.34 0.00 -0.68 0.00 0.00 175.30 173.98 1wx7 s ALA 93 N 1.02 3.83 -0.08 2.13 0.00 -1.26 -5.10 121.76 122.30 1wx7 s ALA 93 Ca 0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1wx7 s ALA 93 Cb -0.20 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.88 1wx7 s ALA 93 CO -0.06 0.70 -0.03 -1.64 0.00 0.00 0.00 175.76 174.73 1wx7 s MET 94 N -2.54 0.96 0.00 0.00 -1.94 -1.26 -5.03 119.30 109.49 1wx7 s MET 94 Ca 0.39 -0.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 1wx7 s MET 94 Cb -0.12 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.53 1wx7 s MET 94 CO 0.24 -0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.39 1wx7 n GLY 95 N 4.99 0.48 3.60 -0.03 0.00 -1.26 -5.01 105.19 107.96 1wx7 n GLY 95 Ca -0.10 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1wx7 n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wx7 s ASN 96 N -4.00 -0.57 -1.11 1.61 2.47 -1.26 -5.07 114.94 107.01 1wx7 s ASN 96 Ca 0.00 0.91 -0.25 0.00 0.42 0.00 0.00 52.86 53.94 1wx7 s ASN 96 Cb 0.00 0.86 -0.16 0.00 -1.45 0.00 0.00 41.25 40.50 1wx7 s ASN 96 CO 0.00 -0.32 2.05 -1.61 -3.72 0.00 0.00 177.10 173.50 1wx7 s GLU 97 N -0.30 1.79 0.32 0.43 2.02 -1.26 -4.91 118.70 116.80 1wx7 s GLU 97 Ca -0.02 -0.71 -0.11 0.00 0.02 0.00 0.00 54.97 54.16 1wx7 s GLU 97 Cb -0.03 -5.09 -0.07 0.00 0.10 0.00 0.00 34.13 29.04 1wx7 s GLU 97 CO 0.01 -4.76 0.68 0.00 0.02 0.00 0.00 175.26 171.21 1wx7 s PRO 99 N -3.30 -0.24 -0.40 0.00 0.04 -1.26 -5.00 135.00 124.84 1wx7 s PRO 99 Ca 0.50 0.28 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 1wx7 s PRO 99 Cb -0.10 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.77 1wx7 s PRO 99 CO 0.24 -3.13 0.48 0.00 0.04 0.00 0.00 177.00 174.64 1wx7 s ALA 100 N -2.98 3.43 -0.45 8.56 0.00 -1.26 -5.03 121.76 124.03 1wx7 s ALA 100 Ca 0.67 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1wx7 s ALA 100 Cb -0.15 -3.06 0.11 0.00 0.00 0.00 0.00 23.12 20.02 1wx7 s ALA 100 CO 0.57 -1.48 0.30 -1.12 0.00 0.00 0.00 175.76 174.03 1wx7 s SER 101 N 1.83 5.57 0.00 0.00 0.01 -1.26 -4.67 113.70 115.17 1wx7 s SER 101 Ca 0.15 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.49 1wx7 s SER 101 Cb -0.16 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1wx7 s SER 101 CO 0.14 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1wx7 n GLY 102 N 4.82 3.78 0.26 3.44 0.00 -1.26 -5.05 105.19 111.17 1wx7 n GLY 102 Ca -0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1wx7 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx7 h PRO 103 N 0.00 0.90 -5.84 1.61 0.13 -2.03 -3.42 132.00 123.35 1wx7 h PRO 103 Ca 0.00 -0.48 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 1wx7 h PRO 103 Cb 0.00 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 1wx7 h PRO 103 CO 0.00 1.13 0.48 -1.54 -0.23 0.00 0.00 178.00 177.83 1wx7 s SER 104 N -6.79 6.74 -1.02 1.44 1.04 -1.26 -4.96 113.70 108.89 1wx7 s SER 104 Ca -0.11 0.82 -0.24 0.00 0.48 0.00 0.00 55.95 56.90 1wx7 s SER 104 Cb 0.11 -2.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.73 1wx7 s SER 104 CO 0.87 -0.62 1.94 -0.44 0.98 0.00 0.00 173.24 175.98 1wx7 s SER 105 N 1.54 5.08 0.00 7.02 0.01 -1.26 -4.96 113.70 121.13 1wx7 s SER 105 Ca 0.35 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1wx7 s SER 105 Cb -0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1wx7 s SER 105 CO 0.11 -2.90 0.00 0.61 0.41 0.00 0.00 173.24 171.47