#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wx1 s GLN 2 N 0.00 3.58 0.27 2.12 0.74 -1.26 -0.03 119.66 125.08 2wx1 s GLN 2 Ca 0.00 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.00 2wx1 s GLN 2 Cb 0.00 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.08 2wx1 s GLN 2 CO 0.00 0.39 0.11 0.96 -0.55 0.00 0.00 175.29 176.21 2wx1 s ILE 3 N -0.01 0.47 0.20 -2.34 -4.36 -0.04 0.25 121.20 115.37 2wx1 s ILE 3 Ca 0.03 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.52 2wx1 s ILE 3 Cb -0.13 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 2wx1 s ILE 3 CO 0.02 0.00 -0.19 -0.36 0.24 0.00 0.00 174.94 174.64 2wx1 s PHE 4 N -3.74 2.02 -0.24 1.37 0.40 0.23 -1.35 117.98 116.68 2wx1 s PHE 4 Ca 0.37 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 2wx1 s PHE 4 Cb 0.07 -0.97 0.08 0.00 0.51 0.00 0.00 43.02 42.72 2wx1 s PHE 4 CO 0.14 0.46 0.11 0.08 0.70 0.00 0.00 175.22 176.71 2wx1 s VAL 5 N -2.18 -0.01 -0.46 -0.44 1.01 -0.91 -0.93 120.40 116.47 2wx1 s VAL 5 Ca 0.21 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2wx1 s VAL 5 Cb -0.05 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2wx1 s VAL 5 CO 0.09 -0.52 1.39 -1.59 0.00 0.00 0.00 175.10 174.47 2wx1 s LYS 6 N 2.09 3.51 0.00 2.72 0.00 0.06 -2.95 119.74 125.17 2wx1 s LYS 6 Ca 0.06 0.78 0.00 0.00 0.00 0.00 0.00 55.97 56.80 2wx1 s LYS 6 Cb -0.16 -4.04 0.00 0.00 0.00 0.00 0.00 37.83 33.63 2wx1 s LYS 6 CO -0.24 -1.65 0.07 2.41 0.00 0.00 0.00 175.35 175.94 2wx1 n THR 7 N 7.01 0.00 0.77 3.79 -1.04 -1.26 -0.95 114.28 122.60 2wx1 n THR 7 Ca 0.15 0.28 0.13 0.00 -2.04 0.00 0.00 64.05 62.56 2wx1 n THR 7 Cb 0.48 -0.70 0.35 0.00 -1.82 0.00 0.00 70.33 68.65 2wx1 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wx1 n GLY 10 N 1.58 -1.48 3.65 3.41 0.00 -1.26 -4.69 105.19 106.40 2wx1 n GLY 10 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2wx1 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wx1 s LYS 11 N -3.08 0.36 -0.02 1.61 0.00 -1.26 -5.07 119.74 112.29 2wx1 s LYS 11 Ca 0.10 0.71 0.02 0.00 0.00 0.00 0.00 55.97 56.81 2wx1 s LYS 11 Cb 0.15 -1.71 -0.00 0.00 0.00 0.00 0.00 37.83 36.27 2wx1 s LYS 11 CO 0.64 -2.83 -0.09 0.99 0.00 0.00 0.00 175.35 174.06 2wx1 s THR 12 N -2.83 0.73 0.03 3.79 2.01 -1.26 -4.67 115.64 113.43 2wx1 s THR 12 Ca 0.66 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.37 2wx1 s THR 12 Cb -0.20 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2wx1 s THR 12 CO 0.59 0.22 -0.18 0.27 -0.69 0.00 0.00 174.62 174.83 2wx1 s ILE 13 N 0.05 2.76 -0.22 1.82 -4.36 -1.15 -4.97 121.20 115.12 2wx1 s ILE 13 Ca -0.01 -1.13 -0.08 0.00 -0.26 0.00 0.00 60.65 59.17 2wx1 s ILE 13 Cb -0.06 -2.14 -0.04 0.00 1.25 0.00 0.00 42.46 41.47 2wx1 s ILE 13 CO 0.00 0.38 0.10 -0.89 0.24 0.00 0.00 174.94 174.77 2wx1 s THR 14 N -0.88 4.87 -0.04 8.37 2.01 -1.26 -2.14 115.64 126.58 2wx1 s THR 14 Ca 0.14 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.21 2wx1 s THR 14 Cb -0.10 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 2wx1 s THR 14 CO 0.04 0.38 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.38 2wx1 s LEU 15 N 0.95 2.31 -0.39 4.42 1.43 -0.45 -4.98 118.68 121.96 2wx1 s LEU 15 Ca 0.05 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2wx1 s LEU 15 Cb -0.14 -1.42 0.08 0.00 0.03 0.00 0.00 46.19 44.74 2wx1 s LEU 15 CO 0.03 0.32 0.20 -0.70 0.23 0.00 0.00 176.35 176.43 2wx1 s GLU 16 N -0.61 2.47 0.38 1.70 2.56 -1.26 -0.86 118.70 123.08 2wx1 s GLU 16 Ca 0.09 -1.47 0.04 0.00 0.00 0.00 0.00 54.97 53.63 2wx1 s GLU 16 Cb -0.11 -3.63 -0.03 0.00 2.00 0.00 0.00 34.13 32.36 2wx1 s GLU 16 CO -0.00 -0.90 0.12 0.14 -0.56 0.00 0.00 175.26 174.06 2wx1 s VAL 17 N 1.35 0.67 0.35 3.70 -7.23 0.96 -4.88 120.40 115.31 2wx1 s VAL 17 Ca 0.02 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.03 2wx1 s VAL 17 Cb -0.22 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 2wx1 s VAL 17 CO 0.01 0.00 0.79 -1.83 -0.31 0.00 0.00 175.10 173.75 2wx1 s GLU 18 N -3.76 4.05 0.29 4.82 1.03 -1.26 0.06 118.70 123.92 2wx1 s GLU 18 Ca 0.28 0.77 0.17 0.00 0.03 0.00 0.00 54.97 56.22 2wx1 s GLU 18 Cb 0.04 -2.37 0.92 0.00 -0.80 0.00 0.00 34.13 31.93 2wx1 s GLU 18 CO 0.15 0.10 1.48 -2.30 -1.33 0.00 0.00 175.26 173.37 2wx1 n PRO 19 N -0.47 0.11 -0.22 -4.83 -0.02 -1.26 -1.79 135.00 126.52 2wx1 n PRO 19 Ca 0.04 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 2wx1 n PRO 19 Cb 0.53 -1.96 0.05 0.00 -0.02 0.00 0.00 33.50 32.10 2wx1 n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wx1 n SER 20 N -2.12 1.10 -4.76 2.55 7.64 -1.26 -3.50 113.62 113.27 2wx1 n SER 20 Ca -0.01 -2.29 -0.41 0.00 1.01 0.00 0.00 58.87 57.17 2wx1 n SER 20 Cb 0.12 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2wx1 n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wx1 n ASP 21 N -0.59 3.90 -4.75 6.43 8.00 -0.74 -4.36 116.55 124.44 2wx1 n ASP 21 Ca 0.06 1.18 -0.31 0.00 0.71 0.00 0.00 54.79 56.44 2wx1 n ASP 21 Cb 0.60 -1.62 0.11 0.00 -0.02 0.00 0.00 41.12 40.20 2wx1 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2wx1 s THR 22 N -0.51 3.06 0.44 -3.53 -4.23 -1.26 -1.22 115.64 108.38 2wx1 s THR 22 Ca 0.59 0.34 0.11 0.00 -1.18 0.00 0.00 61.69 61.56 2wx1 s THR 22 Cb -0.48 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 70.77 2wx1 s THR 22 CO 0.55 -0.45 2.02 0.40 -0.54 0.00 0.00 174.62 176.60 2wx1 h ILE 23 N -1.30 1.11 -0.64 2.99 1.08 -1.50 -2.21 117.51 117.03 2wx1 h ILE 23 Ca -0.45 -0.44 -0.08 0.00 -0.39 0.00 0.00 64.86 63.49 2wx1 h ILE 23 Cb 1.25 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 2wx1 h ILE 23 CO 0.52 0.14 0.09 -0.33 -0.69 0.00 0.00 178.15 177.88 2wx1 h GLU 24 N 0.20 1.08 0.00 2.37 3.07 -1.81 -2.13 114.58 117.35 2wx1 h GLU 24 Ca 0.05 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.36 58.53 2wx1 h GLU 24 Cb 0.19 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2wx1 h GLU 24 CO 0.01 1.00 -0.36 -0.91 -1.40 0.00 0.00 179.01 177.35 2wx1 h ASN 25 N 0.99 0.00 -0.03 1.42 -0.26 -1.77 -2.46 115.58 113.47 2wx1 h ASN 25 Ca 0.19 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.91 2wx1 h ASN 25 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 2wx1 h ASN 25 CO 0.02 0.36 -0.08 0.58 -1.06 0.00 0.00 177.43 177.24 2wx1 h VAL 26 N 0.00 1.47 0.00 2.81 2.07 -1.18 -2.90 116.25 118.53 2wx1 h VAL 26 Ca -0.00 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 2wx1 h VAL 26 Cb 0.64 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2wx1 h VAL 26 CO 0.05 0.41 -0.02 0.11 0.02 0.00 0.00 177.57 178.13 2wx1 h LYS 27 N -0.48 0.00 -0.18 1.57 1.57 -1.34 -0.63 116.57 117.09 2wx1 h LYS 27 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 2wx1 h LYS 27 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.03 2wx1 h LYS 27 CO 0.02 0.02 -0.73 0.00 -0.57 0.00 0.00 179.45 178.19 2wx1 h ALA 28 N 1.98 0.36 -0.18 3.86 0.00 -1.36 -2.54 119.26 121.38 2wx1 h ALA 28 Ca -0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 54.91 54.11 2wx1 h ALA 28 Cb 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wx1 h ALA 28 CO 0.00 0.69 -0.73 1.57 0.00 0.00 0.00 179.25 180.78 2wx1 h LYS 29 N 0.55 0.79 -0.67 0.00 -0.00 -1.03 -3.02 116.57 113.18 2wx1 h LYS 29 Ca -0.04 -0.61 0.00 0.00 -0.00 0.00 0.00 60.65 60.00 2wx1 h LYS 29 Cb 1.35 0.12 -0.03 0.00 -0.00 0.00 0.00 32.23 33.66 2wx1 h LYS 29 CO 0.15 1.22 0.43 0.82 -0.00 0.00 0.00 179.45 182.07 2wx1 h ILE 30 N 0.55 1.18 -0.21 0.07 2.04 -1.20 -1.90 117.51 118.04 2wx1 h ILE 30 Ca -0.04 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 2wx1 h ILE 30 Cb 1.35 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2wx1 h ILE 30 CO 0.15 0.18 -0.27 -0.61 0.00 0.00 0.00 178.15 177.60 2wx1 h GLN 31 N 0.92 0.41 -0.05 2.37 4.15 -1.41 0.19 115.11 121.68 2wx1 h GLN 31 Ca 0.25 -0.15 -0.14 0.00 0.77 0.00 0.00 58.65 59.37 2wx1 h GLN 31 Cb -0.07 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2wx1 h GLN 31 CO -0.05 0.65 -0.62 -0.44 -1.93 0.00 0.00 178.83 176.44 2wx1 h ASP 32 N 0.36 0.21 0.15 -0.69 5.19 -1.24 0.13 116.42 120.53 2wx1 h ASP 32 Ca 0.05 -0.12 -0.36 0.00 -0.62 0.00 0.00 57.03 55.98 2wx1 h ASP 32 Cb 0.67 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 2wx1 h ASP 32 CO 0.05 0.77 -2.05 1.17 -3.12 0.00 0.00 179.24 176.06 2wx1 n LYS 33 N -3.85 0.73 -0.09 3.56 4.81 -0.89 -4.57 118.16 117.85 2wx1 n LYS 33 Ca -0.02 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.56 2wx1 n LYS 33 Cb 0.62 -1.68 -0.15 0.00 0.02 0.00 0.00 35.03 33.84 2wx1 n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wx1 n GLU 34 N -3.37 0.92 -0.38 1.64 -0.58 0.64 -5.00 120.64 114.49 2wx1 n GLU 34 Ca -0.32 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 2wx1 n GLU 34 Cb 1.04 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 2wx1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wx1 n GLY 35 N 1.85 0.73 3.67 0.62 0.00 0.46 -5.02 105.19 107.49 2wx1 n GLY 35 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 2wx1 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wx1 s ILE 36 N -2.54 4.71 0.29 -0.61 1.01 -1.26 -4.97 121.20 117.83 2wx1 s ILE 36 Ca 0.00 2.03 -0.30 0.00 0.00 0.00 0.00 60.65 62.38 2wx1 s ILE 36 Cb 0.00 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.04 2wx1 s ILE 36 CO 0.00 -0.12 1.49 -2.65 0.00 0.00 0.00 174.94 173.66 2wx1 n PRO 37 N 5.91 2.42 -0.08 2.79 -0.02 -1.26 -4.03 135.00 140.74 2wx1 n PRO 37 Ca 0.11 0.86 0.08 0.00 -2.02 0.00 0.00 63.50 62.53 2wx1 n PRO 37 Cb 0.47 -2.57 0.44 0.00 -0.02 0.00 0.00 33.50 31.81 2wx1 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wx1 h PRO 38 N 4.12 0.53 0.00 0.52 0.11 -1.94 -0.50 132.00 134.85 2wx1 h PRO 38 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wx1 h PRO 38 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wx1 h PRO 38 CO 0.74 0.35 0.00 -0.25 -0.21 0.00 0.00 178.00 178.64 2wx1 n ASP 39 N -4.47 0.00 -1.57 -2.05 8.00 -1.26 -3.04 116.55 112.16 2wx1 n ASP 39 Ca 0.07 0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.87 2wx1 n ASP 39 Cb 0.22 -0.45 0.09 0.00 -0.02 0.00 0.00 41.12 40.96 2wx1 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wx1 n GLN 40 N -1.45 2.45 -3.76 -1.24 -0.00 -0.20 -5.01 117.38 108.17 2wx1 n GLN 40 Ca 0.06 -3.64 -0.13 0.00 -0.00 0.00 0.00 57.00 53.29 2wx1 n GLN 40 Cb 0.20 -1.81 -0.14 0.00 -0.00 0.00 0.00 30.24 28.49 2wx1 n GLN 40 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2wx1 s GLN 41 N -3.22 0.13 -0.13 2.61 -2.07 -1.17 -4.82 119.66 110.98 2wx1 s GLN 41 Ca 0.43 0.38 0.02 0.00 -1.82 0.00 0.00 55.36 54.36 2wx1 s GLN 41 Cb 0.39 -0.12 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 2wx1 s GLN 41 CO -0.02 -0.14 -0.19 1.03 -1.32 0.00 0.00 175.29 174.64 2wx1 s ARG 42 N 1.01 3.14 -0.24 9.60 3.00 -1.26 -4.96 118.95 129.24 2wx1 s ARG 42 Ca -0.08 -0.81 -0.09 0.00 0.00 0.00 0.00 55.73 54.76 2wx1 s ARG 42 Cb -0.10 -2.49 -0.04 0.00 0.00 0.00 0.00 34.95 32.33 2wx1 s ARG 42 CO -0.05 0.08 0.11 -0.51 0.00 0.00 0.00 175.30 174.93 2wx1 s LEU 43 N 0.63 3.78 -0.06 2.53 1.43 -1.26 -0.22 118.68 125.51 2wx1 s LEU 43 Ca -0.10 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2wx1 s LEU 43 Cb -0.16 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2wx1 s LEU 43 CO 0.03 0.02 -0.03 -0.63 0.23 0.00 0.00 176.35 175.97 2wx1 s ILE 44 N 1.28 3.98 -0.26 -0.59 -1.09 0.10 -1.26 121.20 123.35 2wx1 s ILE 44 Ca 0.06 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 57.85 2wx1 s ILE 44 Cb -0.14 -2.67 0.07 0.00 -1.58 0.00 0.00 42.46 38.14 2wx1 s ILE 44 CO 0.05 0.56 0.67 0.12 -1.23 0.00 0.00 174.94 175.10 2wx1 s PHE 45 N -0.89 -0.87 -2.13 3.97 5.36 -0.85 -2.23 117.98 120.35 2wx1 s PHE 45 Ca 0.14 1.92 0.00 0.00 -0.96 0.00 0.00 56.93 58.03 2wx1 s PHE 45 Cb -0.11 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 2wx1 s PHE 45 CO 0.03 -0.43 0.00 0.00 -1.46 0.00 0.00 175.22 173.36 2wx1 n ALA 46 N 3.48 -0.39 -0.03 11.12 0.00 -1.26 -1.32 120.51 132.11 2wx1 n ALA 46 Ca -0.17 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wx1 n ALA 46 Cb 0.57 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2wx1 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wx1 n GLY 47 N -0.54 1.98 3.46 0.00 0.00 -1.26 -5.01 105.19 103.82 2wx1 n GLY 47 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2wx1 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wx1 s LYS 48 N -0.32 2.72 0.23 1.61 0.00 -0.43 -5.11 119.74 118.44 2wx1 s LYS 48 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 55.97 54.99 2wx1 s LYS 48 Cb 0.00 -2.45 -0.09 0.00 0.00 0.00 0.00 37.83 35.29 2wx1 s LYS 48 CO 0.00 0.53 1.08 -1.14 0.00 0.00 0.00 175.35 175.82 2wx1 s GLN 49 N -0.49 4.65 -0.01 1.78 0.74 -1.26 -2.00 119.66 123.07 2wx1 s GLN 49 Ca 0.06 1.73 -0.28 0.00 0.05 0.00 0.00 55.36 56.93 2wx1 s GLN 49 Cb -0.12 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 2wx1 s GLN 49 CO 0.02 0.19 0.87 -0.51 -0.55 0.00 0.00 175.29 175.31 2wx1 s LEU 50 N -0.98 4.37 -0.05 3.68 1.43 -0.39 -4.96 118.68 121.78 2wx1 s LEU 50 Ca 0.46 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 2wx1 s LEU 50 Cb -0.30 -3.39 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2wx1 s LEU 50 CO 0.38 -0.18 0.34 -1.61 0.23 0.00 0.00 176.35 175.50 2wx1 s GLU 51 N 0.77 3.87 0.00 1.70 0.41 -1.26 -4.68 118.70 119.51 2wx1 s GLU 51 Ca 0.46 0.25 0.05 0.00 -0.41 0.00 0.00 54.97 55.32 2wx1 s GLU 51 Cb -0.20 -3.25 0.28 0.00 -1.78 0.00 0.00 34.13 29.18 2wx1 s GLU 51 CO 0.25 0.63 0.94 -0.40 -0.49 0.00 0.00 175.26 176.19 2wx1 n ASP 52 N 2.16 0.00 0.08 -0.19 5.75 -1.26 -1.76 116.55 121.32 2wx1 n ASP 52 Ca -0.15 0.09 0.07 0.00 -0.01 0.00 0.00 54.79 54.79 2wx1 n ASP 52 Cb 0.53 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 2wx1 n ASP 52 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2wx1 h GLY 53 N 0.85 0.00 -0.64 6.12 0.00 -1.97 -3.32 103.07 104.11 2wx1 h GLY 53 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2wx1 h GLY 53 CO 0.00 0.00 -0.00 -0.96 0.00 0.00 0.00 176.54 175.58 2wx1 n ARG 54 N -2.78 0.65 -3.62 4.80 -4.01 -0.72 -4.95 116.66 106.03 2wx1 n ARG 54 Ca -0.04 -1.25 -0.20 0.00 -1.04 0.00 0.00 57.85 55.32 2wx1 n ARG 54 Cb 0.67 -0.16 -0.04 0.00 -3.04 0.00 0.00 32.46 29.89 2wx1 n ARG 54 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 2wx1 n THR 55 N -1.70 0.00 0.11 8.89 -2.24 -1.26 -1.53 114.28 116.56 2wx1 n THR 55 Ca 0.07 -1.50 -0.21 0.00 -2.27 0.00 0.00 64.05 60.13 2wx1 n THR 55 Cb 0.25 0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 2wx1 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wx1 h LEU 56 N 0.00 0.74 -2.00 3.22 3.38 -1.36 -3.28 115.31 116.00 2wx1 h LEU 56 Ca -0.26 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 56.99 2wx1 h LEU 56 Cb 0.81 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wx1 h LEU 56 CO 0.43 1.56 0.06 0.77 0.09 0.00 0.00 178.44 181.36 2wx1 h SER 57 N 0.18 0.00 0.36 -0.43 4.64 -1.83 -1.59 113.55 114.88 2wx1 h SER 57 Ca -0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 2wx1 h SER 57 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 2wx1 h SER 57 CO 0.24 0.00 -0.17 0.44 -0.87 0.00 0.00 176.83 176.47 2wx1 h ASP 58 N 0.00 -0.41 0.00 4.97 3.45 -1.92 -2.47 116.42 120.04 2wx1 h ASP 58 Ca 0.04 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.44 2wx1 h ASP 58 Cb 0.16 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 2wx1 h ASP 58 CO -0.00 -0.20 0.00 -1.22 -1.57 0.00 0.00 179.24 176.25 2wx1 n TYR 59 N -5.25 0.00 -3.58 4.55 4.02 -1.01 -4.86 117.16 111.03 2wx1 n TYR 59 Ca -0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.57 2wx1 n TYR 59 Cb 0.24 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.63 2wx1 n TYR 59 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wx1 n ASN 60 N -0.52 -3.40 -4.56 7.72 0.23 -0.93 -4.88 115.26 108.91 2wx1 n ASN 60 Ca 0.01 -0.65 -0.35 0.00 -0.53 0.00 0.00 54.58 53.06 2wx1 n ASN 60 Cb 0.00 -4.76 -0.04 0.00 -2.08 0.00 0.00 39.78 32.91 2wx1 n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2wx1 s ILE 61 N -3.40 3.69 0.00 1.53 -1.09 -0.63 -4.97 121.20 116.32 2wx1 s ILE 61 Ca 0.24 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 2wx1 s ILE 61 Cb -0.11 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 2wx1 s ILE 61 CO 0.76 -1.48 0.00 0.00 -1.23 0.00 0.00 174.94 172.99 2wx1 n GLN 62 N 8.91 -0.55 -2.56 2.79 10.64 -1.26 -4.81 117.38 130.54 2wx1 n GLN 62 Ca 0.34 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 55.12 2wx1 n GLN 62 Cb 0.49 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.83 2wx1 n GLN 62 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2wx1 s LYS 63 N -2.47 4.57 -1.89 2.61 3.01 -1.26 -3.42 119.74 120.89 2wx1 s LYS 63 Ca 0.00 1.65 0.00 0.00 -1.01 0.00 0.00 55.97 56.61 2wx1 s LYS 63 Cb 0.00 -3.04 0.00 0.00 -1.01 0.00 0.00 37.83 33.78 2wx1 s LYS 63 CO 0.00 0.19 0.00 0.39 0.51 0.00 0.00 175.35 176.44 2wx1 n GLU 64 N 0.92 -1.62 -1.57 1.68 1.02 0.14 -4.96 120.64 116.25 2wx1 n GLU 64 Ca 0.00 1.06 -0.32 0.00 -0.02 0.00 0.00 57.16 57.88 2wx1 n GLU 64 Cb 0.47 -5.62 0.07 0.00 -0.02 0.00 0.00 31.44 26.33 2wx1 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wx1 s SER 65 N -2.30 4.82 -0.19 1.62 0.01 -1.22 -4.72 113.70 111.72 2wx1 s SER 65 Ca 0.00 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.24 2wx1 s SER 65 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2wx1 s SER 65 CO 0.00 -1.82 -0.17 -0.89 0.41 0.00 0.00 173.24 170.77 2wx1 s THR 66 N -2.49 2.33 0.56 1.44 2.01 -1.26 -0.60 115.64 117.63 2wx1 s THR 66 Ca 0.66 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.90 2wx1 s THR 66 Cb -0.20 -2.00 0.08 0.00 0.01 0.00 0.00 72.50 70.39 2wx1 s THR 66 CO 0.46 0.52 0.74 -0.76 -0.69 0.00 0.00 174.62 174.89 2wx1 s LEU 67 N 1.33 3.11 -0.02 4.42 1.02 -0.11 -4.92 118.68 123.51 2wx1 s LEU 67 Ca 0.05 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.35 2wx1 s LEU 67 Cb -0.13 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.43 2wx1 s LEU 67 CO -0.11 -1.27 0.01 -1.00 0.02 0.00 0.00 176.35 174.00 2wx1 s HIS 68 N -2.65 0.15 -0.17 0.29 3.76 -0.95 -0.76 115.29 114.97 2wx1 s HIS 68 Ca 0.59 0.06 -0.14 0.00 -0.15 0.00 0.00 55.06 55.42 2wx1 s HIS 68 Cb -0.06 -0.28 -0.05 0.00 1.11 0.00 0.00 32.58 33.31 2wx1 s HIS 68 CO 0.37 -0.09 0.30 -0.48 -0.85 0.00 0.00 174.74 173.98 2wx1 s LEU 69 N 0.91 4.23 0.00 0.89 -0.00 -0.12 -0.72 118.68 123.86 2wx1 s LEU 69 Ca -0.08 0.49 0.00 0.00 -0.00 0.00 0.00 54.13 54.54 2wx1 s LEU 69 Cb -0.12 -2.38 0.00 0.00 -0.00 0.00 0.00 46.19 43.69 2wx1 s LEU 69 CO -0.02 0.08 0.22 0.52 -0.00 0.00 0.00 176.35 177.15