#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 4.15 0.43 3.17 1.03 -1.26 -1.88 119.66 125.30 2wx1 s GLN 2 Ca 0.00 1.04 0.03 0.00 0.04 0.00 0.00 55.36 56.46 2wx1 s GLN 2 Cb 0.00 -3.67 0.03 0.00 0.03 0.00 0.00 33.01 29.40 2wx1 s GLN 2 CO 0.00 -0.64 0.22 0.44 -2.54 0.00 0.00 175.29 172.77 2wx1 n ILE 3 N 5.42 0.00 -4.13 3.63 -5.35 0.18 -2.46 119.36 116.65 2wx1 n ILE 3 Ca 0.08 -1.79 -0.15 0.00 -0.27 0.00 0.00 62.75 60.62 2wx1 n ILE 3 Cb 0.47 0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.28 2wx1 n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2wx1 s PHE 4 N -2.26 0.80 -0.44 4.28 0.08 -0.25 -1.70 117.98 118.50 2wx1 s PHE 4 Ca 0.17 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2wx1 s PHE 4 Cb -0.01 -0.48 0.13 0.00 -0.57 0.00 0.00 43.02 42.09 2wx1 s PHE 4 CO 0.11 -0.03 0.23 0.08 -0.10 0.00 0.00 175.22 175.50 2wx1 s VAL 5 N -1.12 1.51 -0.51 -0.44 1.01 0.66 0.06 120.40 121.56 2wx1 s VAL 5 Ca -0.06 -2.54 -0.28 0.00 0.00 0.00 0.00 61.98 59.10 2wx1 s VAL 5 Cb -0.09 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 2wx1 s VAL 5 CO 0.01 -0.86 1.59 -1.59 0.00 0.00 0.00 175.10 174.25 2wx1 s LYS 6 N 0.39 3.18 1.19 2.72 0.00 0.04 -1.97 119.74 125.29 2wx1 s LYS 6 Ca 0.17 0.74 -0.14 0.00 0.00 0.00 0.00 55.97 56.73 2wx1 s LYS 6 Cb -0.24 -4.19 0.29 0.00 0.00 0.00 0.00 37.83 33.69 2wx1 s LYS 6 CO -0.01 -2.07 1.02 0.95 0.00 0.00 0.00 175.35 175.24 2wx1 s THR 7 N 6.86 1.88 -0.70 3.79 -4.23 0.65 -2.81 115.64 121.08 2wx1 s THR 7 Ca 0.62 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 2wx1 s THR 7 Cb -0.14 -2.14 0.21 0.00 1.34 0.00 0.00 72.50 71.77 2wx1 s THR 7 CO 0.27 0.00 0.89 -0.11 -0.54 0.00 0.00 174.62 175.12 2wx1 n LEU 8 N -4.96 2.50 -0.05 4.79 7.94 -1.22 -3.14 117.00 122.86 2wx1 n LEU 8 Ca 0.04 -1.27 0.02 0.00 -1.11 0.00 0.00 56.01 53.69 2wx1 n LEU 8 Cb 0.56 -0.55 0.02 0.00 0.53 0.00 0.00 43.42 43.97 2wx1 n LEU 8 CO 0.55 0.39 0.42 0.35 -1.11 0.00 0.00 177.39 178.00 2wx1 n THR 9 N 0.15 0.78 0.00 1.96 -2.24 -1.26 -4.99 114.28 108.68 2wx1 n THR 9 Ca 0.08 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2wx1 n THR 9 Cb 0.54 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2wx1 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wx1 n GLY 10 N -0.47 2.93 3.76 3.38 0.00 -1.19 -5.03 105.19 108.58 2wx1 n GLY 10 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.11 3.61 -0.12 1.61 0.00 -1.26 -4.78 119.74 118.68 2wx1 s LYS 11 Ca 0.00 2.40 0.03 0.00 0.00 0.00 0.00 55.97 58.40 2wx1 s LYS 11 Cb 0.00 -2.60 0.01 0.00 0.00 0.00 0.00 37.83 35.24 2wx1 s LYS 11 CO 0.00 -0.87 -0.21 0.99 0.00 0.00 0.00 175.35 175.25 2wx1 s THR 12 N -1.21 1.96 -0.14 3.79 2.01 -1.26 -0.25 115.64 120.54 2wx1 s THR 12 Ca 0.62 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 2wx1 s THR 12 Cb -0.43 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2wx1 s THR 12 CO 0.55 0.53 0.07 -0.63 -0.69 0.00 0.00 174.62 174.46 2wx1 s ILE 13 N 0.72 4.89 -0.29 1.82 1.01 -0.83 -4.91 121.20 123.60 2wx1 s ILE 13 Ca -0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 2wx1 s ILE 13 Cb -0.16 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2wx1 s ILE 13 CO 0.01 0.55 0.19 -0.89 0.00 0.00 0.00 174.94 174.80 2wx1 s THR 14 N -0.41 5.14 0.16 2.92 2.01 -1.26 -0.24 115.64 123.94 2wx1 s THR 14 Ca 0.10 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.18 2wx1 s THR 14 Cb -0.12 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2wx1 s THR 14 CO 0.02 0.18 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.21 2wx1 s LEU 15 N 1.72 2.74 -0.31 4.42 1.43 -0.69 -4.98 118.68 123.02 2wx1 s LEU 15 Ca 0.07 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2wx1 s LEU 15 Cb -0.16 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.62 2wx1 s LEU 15 CO 0.10 0.14 -0.00 -0.70 0.23 0.00 0.00 176.35 176.11 2wx1 s GLU 16 N -2.50 2.14 0.16 1.70 2.12 -1.26 -0.64 118.70 120.41 2wx1 s GLU 16 Ca 0.21 -1.47 0.03 0.00 0.36 0.00 0.00 54.97 54.09 2wx1 s GLU 16 Cb -0.09 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 2wx1 s GLU 16 CO 0.12 -0.72 -0.04 0.14 -0.54 0.00 0.00 175.26 174.22 2wx1 s VAL 17 N 1.12 0.87 0.06 3.70 -7.23 -0.79 -4.89 120.40 113.24 2wx1 s VAL 17 Ca -0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2wx1 s VAL 17 Cb -0.20 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2wx1 s VAL 17 CO -0.04 -0.60 0.17 -1.83 -0.31 0.00 0.00 175.10 172.49 2wx1 s GLU 18 N -3.85 3.30 0.11 4.82 1.03 -1.26 -0.44 118.70 122.41 2wx1 s GLU 18 Ca 0.20 -0.50 0.07 0.00 0.03 0.00 0.00 54.97 54.78 2wx1 s GLU 18 Cb 0.05 -2.96 0.37 0.00 -0.80 0.00 0.00 34.13 30.79 2wx1 s GLU 18 CO 0.02 0.60 1.18 -2.30 -1.33 0.00 0.00 175.26 173.43 2wx1 n PRO 19 N 0.37 0.04 -0.40 -4.83 -0.02 -1.26 -0.88 135.00 128.03 2wx1 n PRO 19 Ca -0.06 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 2wx1 n PRO 19 Cb 0.51 -1.69 0.31 0.00 -0.02 0.00 0.00 33.50 32.61 2wx1 n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wx1 n SER 20 N -1.72 3.99 -4.74 2.55 3.41 -1.26 -1.34 113.62 114.50 2wx1 n SER 20 Ca -0.00 -2.10 -0.40 0.00 -0.26 0.00 0.00 58.87 56.11 2wx1 n SER 20 Cb 0.06 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 2wx1 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2wx1 s ASP 21 N -1.00 7.15 0.91 4.04 1.01 -0.06 -4.85 116.67 123.87 2wx1 s ASP 21 Ca 0.46 1.37 -0.12 0.00 0.71 0.00 0.00 52.55 54.97 2wx1 s ASP 21 Cb 0.25 -2.45 0.14 0.00 1.01 0.00 0.00 42.92 41.88 2wx1 s ASP 21 CO 0.29 0.01 1.14 0.42 0.21 0.00 0.00 175.17 177.25 2wx1 s THR 22 N 0.03 1.99 0.26 -1.27 -4.23 -1.26 -1.43 115.64 109.73 2wx1 s THR 22 Ca 0.37 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2wx1 s THR 22 Cb -0.20 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 70.91 2wx1 s THR 22 CO 0.22 0.00 1.65 0.40 -0.54 0.00 0.00 174.62 176.35 2wx1 h ILE 23 N -1.49 1.29 -0.07 2.99 1.08 -1.60 -2.32 117.51 117.39 2wx1 h ILE 23 Ca -0.50 -1.48 -0.02 0.00 -0.39 0.00 0.00 64.86 62.47 2wx1 h ILE 23 Cb 1.33 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.60 2wx1 h ILE 23 CO 0.61 0.46 -0.06 -0.33 -0.69 0.00 0.00 178.15 178.14 2wx1 h GLU 24 N 0.39 0.09 -0.14 2.37 3.07 -1.84 -0.15 114.58 118.37 2wx1 h GLU 24 Ca 0.04 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 2wx1 h GLU 24 Cb 0.82 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2wx1 h GLU 24 CO 0.07 0.17 -0.61 -0.91 -1.40 0.00 0.00 179.01 176.32 2wx1 h ASN 25 N 0.09 0.79 -0.21 1.42 4.21 -1.79 -2.53 115.58 117.57 2wx1 h ASN 25 Ca 0.02 -0.62 -0.02 0.00 1.21 0.00 0.00 56.30 56.89 2wx1 h ASN 25 Cb 0.18 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 2wx1 h ASN 25 CO 0.01 1.28 0.06 0.58 -1.29 0.00 0.00 177.43 178.07 2wx1 h VAL 26 N 0.35 1.20 -0.28 2.81 2.07 -0.90 -1.50 116.25 120.00 2wx1 h VAL 26 Ca -0.04 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wx1 h VAL 26 Cb 1.25 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2wx1 h VAL 26 CO 0.13 0.20 0.18 0.11 0.02 0.00 0.00 177.57 178.21 2wx1 h LYS 27 N 0.17 0.36 -0.51 1.57 1.57 -1.12 -0.94 116.57 117.67 2wx1 h LYS 27 Ca 0.07 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2wx1 h LYS 27 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2wx1 h LYS 27 CO -0.00 0.24 -0.13 0.00 -0.57 0.00 0.00 179.45 178.99 2wx1 h ALA 28 N 1.83 0.80 -0.12 3.86 0.00 -0.98 -2.22 119.26 122.42 2wx1 h ALA 28 Ca 0.10 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2wx1 h ALA 28 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2wx1 h ALA 28 CO -0.02 0.66 -0.48 0.87 0.00 0.00 0.00 179.25 180.28 2wx1 h LYS 29 N 0.86 0.31 -0.27 0.00 1.57 -0.25 -2.81 116.57 115.98 2wx1 h LYS 29 Ca 0.13 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2wx1 h LYS 29 Cb 0.69 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2wx1 h LYS 29 CO 0.05 0.73 -0.23 0.82 -0.57 0.00 0.00 179.45 180.25 2wx1 h ILE 30 N 0.25 1.26 -0.09 1.86 2.04 -1.05 -2.70 117.51 119.08 2wx1 h ILE 30 Ca 0.01 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 2wx1 h ILE 30 Cb 0.94 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2wx1 h ILE 30 CO 0.08 0.40 -0.18 -0.61 0.00 0.00 0.00 178.15 177.84 2wx1 h GLN 31 N 0.46 0.15 0.00 2.37 4.15 -1.15 -1.31 115.11 119.79 2wx1 h GLN 31 Ca 0.07 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2wx1 h GLN 31 Cb 0.65 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2wx1 h GLN 31 CO 0.05 0.34 -0.35 -0.44 -1.93 0.00 0.00 178.83 176.49 2wx1 h ASP 32 N 0.14 0.00 -0.20 -0.69 3.45 -1.33 0.31 116.42 118.10 2wx1 h ASP 32 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 2wx1 h ASP 32 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 2wx1 h ASP 32 CO 0.03 0.35 0.00 0.29 -1.57 0.00 0.00 179.24 178.34 2wx1 n LYS 33 N -3.70 2.69 0.00 3.56 5.02 -0.97 -4.66 118.16 120.10 2wx1 n LYS 33 Ca -0.01 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 2wx1 n LYS 33 Cb 0.45 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 2wx1 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wx1 n GLU 34 N 0.15 4.18 -1.17 1.97 -0.58 -0.53 -5.03 120.64 119.64 2wx1 n GLU 34 Ca 0.07 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.75 2wx1 n GLU 34 Cb 0.35 -0.35 -0.02 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.00 0.80 3.57 0.62 0.00 0.11 -4.99 105.19 105.30 2wx1 n GLY 35 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.11 4.97 0.23 -0.61 -1.09 -1.26 -5.01 121.20 116.33 2wx1 s ILE 36 Ca 0.00 0.54 -0.31 0.00 -2.23 0.00 0.00 60.65 58.64 2wx1 s ILE 36 Cb 0.00 -3.99 -0.14 0.00 -1.58 0.00 0.00 42.46 36.76 2wx1 s ILE 36 CO 0.00 -0.20 1.35 -2.65 -1.23 0.00 0.00 174.94 172.21 2wx1 n PRO 37 N 5.83 1.85 0.14 2.79 -0.02 -1.26 -4.14 135.00 140.18 2wx1 n PRO 37 Ca -0.03 0.66 0.18 0.00 -2.02 0.00 0.00 63.50 62.29 2wx1 n PRO 37 Cb 0.49 -2.28 0.77 0.00 -0.02 0.00 0.00 33.50 32.46 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 3.99 0.00 -0.00 0.52 0.11 -1.93 0.20 132.00 134.89 2wx1 h PRO 38 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wx1 h PRO 38 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wx1 h PRO 38 CO 0.74 0.00 -0.12 -0.40 -0.21 0.00 0.00 178.00 178.01 2wx1 n ASP 39 N -3.90 0.26 -0.67 -2.05 5.68 -1.26 -3.17 116.55 111.44 2wx1 n ASP 39 Ca 0.05 -0.14 0.11 0.00 -0.50 0.00 0.00 54.79 54.31 2wx1 n ASP 39 Cb 0.45 -0.18 0.03 0.00 -1.14 0.00 0.00 41.12 40.28 2wx1 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wx1 n GLN 40 N -1.25 1.63 -4.30 0.11 6.02 0.69 -4.92 117.38 115.36 2wx1 n GLN 40 Ca 0.11 -1.34 -0.22 0.00 -0.01 0.00 0.00 57.00 55.53 2wx1 n GLN 40 Cb 0.30 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 29.97 2wx1 n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2wx1 s GLN 41 N -2.28 1.17 0.01 -1.09 -2.07 -1.19 -0.23 119.66 113.98 2wx1 s GLN 41 Ca 0.22 -1.26 0.03 0.00 -1.82 0.00 0.00 55.36 52.53 2wx1 s GLN 41 Cb 0.19 -1.31 -0.01 0.00 -1.09 0.00 0.00 33.01 30.78 2wx1 s GLN 41 CO 0.47 0.29 -0.09 1.03 -1.32 0.00 0.00 175.29 175.66 2wx1 s ARG 42 N -2.32 0.71 -0.15 9.60 3.00 -1.00 -4.88 118.95 123.91 2wx1 s ARG 42 Ca 0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 55.73 55.38 2wx1 s ARG 42 Cb -0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 34.95 34.17 2wx1 s ARG 42 CO 0.05 0.18 -0.06 -0.51 0.00 0.00 0.00 175.30 174.95 2wx1 s LEU 43 N -0.50 3.10 -0.10 2.53 1.43 -1.26 -1.43 118.68 122.45 2wx1 s LEU 43 Ca 0.02 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2wx1 s LEU 43 Cb -0.05 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2wx1 s LEU 43 CO 0.00 0.17 -0.20 -0.63 0.23 0.00 0.00 176.35 175.92 2wx1 s ILE 44 N 0.36 2.43 -0.13 -0.59 -1.09 -0.64 -1.10 121.20 120.45 2wx1 s ILE 44 Ca -0.06 -0.90 -0.09 0.00 -2.23 0.00 0.00 60.65 57.38 2wx1 s ILE 44 Cb -0.15 -1.96 0.04 0.00 -1.58 0.00 0.00 42.46 38.82 2wx1 s ILE 44 CO 0.04 0.55 0.31 0.12 -1.23 0.00 0.00 174.94 174.73 2wx1 s PHE 45 N 0.20 -0.40 -2.05 3.97 5.36 -0.52 -1.95 117.98 122.59 2wx1 s PHE 45 Ca -0.12 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 2wx1 s PHE 45 Cb -0.16 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.65 2wx1 s PHE 45 CO 0.07 -0.23 0.00 0.00 -1.46 0.00 0.00 175.22 173.59 2wx1 n ALA 46 N 3.71 -0.33 -2.20 11.12 0.00 -1.26 -1.86 120.51 129.68 2wx1 n ALA 46 Ca -0.20 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2wx1 n ALA 46 Cb 0.55 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.42 0.84 3.45 0.00 0.00 -1.26 -5.07 105.19 102.72 2wx1 n GLY 47 Ca -0.20 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.42 0.62 0.08 1.61 0.00 -0.78 -5.14 119.74 111.71 2wx1 s LYS 48 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 55.97 56.47 2wx1 s LYS 48 Cb 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 37.83 38.04 2wx1 s LYS 48 CO 0.00 -0.09 1.12 -1.14 0.00 0.00 0.00 175.35 175.24 2wx1 s GLN 49 N 0.50 4.50 -0.04 1.78 0.74 -1.26 -1.43 119.66 124.45 2wx1 s GLN 49 Ca -0.02 1.68 -0.28 0.00 0.05 0.00 0.00 55.36 56.79 2wx1 s GLN 49 Cb -0.04 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.69 2wx1 s GLN 49 CO -0.02 -0.12 0.91 -0.51 -0.55 0.00 0.00 175.29 175.00 2wx1 s LEU 50 N 0.66 4.33 0.25 3.68 1.43 -0.26 -4.99 118.68 123.79 2wx1 s LEU 50 Ca 0.55 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 2wx1 s LEU 50 Cb -0.28 -3.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 2wx1 s LEU 50 CO 0.30 -0.26 0.97 -1.83 0.23 0.00 0.00 176.35 175.76 2wx1 s GLU 51 N 1.15 4.81 0.00 1.70 4.04 -1.26 -4.74 118.70 124.40 2wx1 s GLU 51 Ca 0.47 1.54 0.06 0.00 0.04 0.00 0.00 54.97 57.08 2wx1 s GLU 51 Cb -0.20 -3.25 0.27 0.00 0.02 0.00 0.00 34.13 30.97 2wx1 s GLU 51 CO 0.24 0.46 1.14 -0.25 -1.84 0.00 0.00 175.26 175.00 2wx1 n ASP 52 N 1.41 0.00 -0.04 0.83 9.92 -1.26 -2.75 116.55 124.66 2wx1 n ASP 52 Ca -0.02 0.40 -0.22 0.00 -0.53 0.00 0.00 54.79 54.42 2wx1 n ASP 52 Cb 0.47 -0.43 -0.13 0.00 -0.64 0.00 0.00 41.12 40.39 2wx1 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wx1 n GLY 53 N -0.85 -0.68 3.50 0.44 0.00 -1.26 -3.54 105.19 102.79 2wx1 n GLY 53 Ca 0.02 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2wx1 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wx1 s ARG 54 N -2.47 -1.65 0.02 1.61 1.81 -1.11 -4.75 118.95 112.40 2wx1 s ARG 54 Ca -0.25 0.11 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 2wx1 s ARG 54 Cb 0.06 -1.53 0.00 0.00 -0.45 0.00 0.00 34.95 33.03 2wx1 s ARG 54 CO 0.69 -4.03 0.01 0.25 -0.68 0.00 0.00 175.30 171.53 2wx1 n THR 55 N -5.02 0.00 0.10 0.02 -2.24 -1.26 -2.07 114.28 103.80 2wx1 n THR 55 Ca 0.11 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.64 2wx1 n THR 55 Cb 0.59 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.64 -1.24 3.22 3.38 -1.33 -3.17 115.31 116.81 2wx1 h LEU 56 Ca -0.01 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 2wx1 h LEU 56 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wx1 h LEU 56 CO 0.02 1.45 -0.05 0.77 0.09 0.00 0.00 178.44 180.72 2wx1 h SER 57 N 0.18 0.43 -0.38 -0.43 4.64 -1.50 0.18 113.55 116.67 2wx1 h SER 57 Ca -0.15 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 2wx1 h SER 57 Cb 1.89 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.85 2wx1 h SER 57 CO 0.21 0.54 0.13 0.44 -0.87 0.00 0.00 176.83 177.28 2wx1 h ASP 58 N 0.44 0.55 -0.06 4.97 3.45 -1.85 -2.24 116.42 121.69 2wx1 h ASP 58 Ca 0.09 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.36 2wx1 h ASP 58 Cb 0.37 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2wx1 h ASP 58 CO 0.02 0.60 0.00 -1.22 -1.57 0.00 0.00 179.24 177.07 2wx1 n TYR 59 N -4.63 0.07 -3.30 4.55 4.02 -1.06 -4.93 117.16 111.87 2wx1 n TYR 59 Ca -0.01 -0.03 -0.17 0.00 -0.01 0.00 0.00 57.90 57.69 2wx1 n TYR 59 Cb 0.17 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.56 2wx1 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wx1 n ASN 60 N -0.27 -3.29 -4.62 7.72 5.15 0.09 -4.96 115.26 115.08 2wx1 n ASN 60 Ca 0.18 -0.51 -0.43 0.00 -0.60 0.00 0.00 54.58 53.22 2wx1 n ASN 60 Cb 0.22 -4.46 -0.03 0.00 -0.53 0.00 0.00 39.78 34.98 2wx1 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2wx1 s ILE 61 N -3.30 4.57 0.62 -1.44 1.09 0.39 -5.00 121.20 118.13 2wx1 s ILE 61 Ca 0.17 1.42 0.03 0.00 -1.10 0.00 0.00 60.65 61.17 2wx1 s ILE 61 Cb -0.07 -4.35 0.12 0.00 -1.06 0.00 0.00 42.46 37.09 2wx1 s ILE 61 CO 0.63 -0.49 0.86 0.00 -0.10 0.00 0.00 174.94 175.83 2wx1 n GLN 62 N 6.78 0.20 -2.12 2.79 10.64 -1.26 -4.72 117.38 129.69 2wx1 n GLN 62 Ca 0.09 -2.67 -0.37 0.00 -1.83 0.00 0.00 57.00 52.22 2wx1 n GLN 62 Cb 0.48 -0.47 0.01 0.00 -0.86 0.00 0.00 30.24 29.40 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 -4.73 3.55 -0.45 2.61 1.02 -1.26 -2.91 119.74 117.57 2wx1 s LYS 63 Ca 0.60 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.48 2wx1 s LYS 63 Cb -0.04 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2wx1 s LYS 63 CO 0.39 -0.76 0.00 -0.85 -0.92 0.00 0.00 175.35 173.21 2wx1 n GLU 64 N -0.70 -0.95 -1.58 1.68 0.28 -1.03 -4.99 120.64 113.35 2wx1 n GLU 64 Ca 0.08 0.50 -0.31 0.00 -0.16 0.00 0.00 57.16 57.28 2wx1 n GLU 64 Cb 0.47 -4.36 0.06 0.00 1.43 0.00 0.00 31.44 29.05 2wx1 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2wx1 s SER 65 N -2.34 5.07 -0.07 -1.84 0.01 -1.15 -4.84 113.70 108.55 2wx1 s SER 65 Ca 0.00 1.48 -0.01 0.00 1.31 0.00 0.00 55.95 58.72 2wx1 s SER 65 Cb 0.00 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.95 2wx1 s SER 65 CO 0.00 -1.62 -0.00 0.28 0.41 0.00 0.00 173.24 172.30 2wx1 s THR 66 N -3.10 0.42 0.26 1.44 -1.32 -1.26 -1.10 115.64 110.99 2wx1 s THR 66 Ca 0.59 0.09 0.01 0.00 -1.21 0.00 0.00 61.69 61.17 2wx1 s THR 66 Cb -0.14 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 2wx1 s THR 66 CO 0.55 0.27 0.43 -0.76 -2.21 0.00 0.00 174.62 172.89 2wx1 s LEU 67 N 1.92 4.18 -0.14 9.08 1.43 0.11 -4.93 118.68 130.34 2wx1 s LEU 67 Ca 0.05 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2wx1 s LEU 67 Cb -0.12 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2wx1 s LEU 67 CO -0.05 -0.13 -0.11 -1.00 0.23 0.00 0.00 176.35 175.29 2wx1 s HIS 68 N -2.05 2.87 -0.24 0.29 3.76 -0.82 -0.78 115.29 118.32 2wx1 s HIS 68 Ca 0.38 -0.57 -0.14 0.00 -0.15 0.00 0.00 55.06 54.58 2wx1 s HIS 68 Cb -0.10 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 2wx1 s HIS 68 CO 0.31 -0.18 0.32 -1.17 -0.85 0.00 0.00 174.74 173.17 2wx1 s LEU 69 N 0.38 4.09 -0.30 0.89 2.96 -1.12 -1.61 118.68 123.97 2wx1 s LEU 69 Ca -0.09 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2wx1 s LEU 69 Cb -0.15 -2.35 0.09 0.00 0.50 0.00 0.00 46.19 44.27 2wx1 s LEU 69 CO 0.05 -0.08 0.02 -0.69 -1.32 0.00 0.00 176.35 174.33 2wx1 s VAL 70 N 1.56 1.72 0.56 1.68 1.01 -0.51 -3.42 120.40 123.01 2wx1 s VAL 70 Ca 0.14 -1.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.14 2wx1 s VAL 70 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2wx1 s VAL 70 CO 0.08 -0.45 1.32 -0.76 0.00 0.00 0.00 175.10 175.30 2wx1 s LEU 71 N 1.22 3.80 0.00 3.92 1.43 -1.26 -2.38 118.68 125.41 2wx1 s LEU 71 Ca 0.05 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2wx1 s LEU 71 Cb -0.19 -4.36 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2wx1 s LEU 71 CO -0.12 -1.61 0.41 -2.11 0.23 0.00 0.00 176.35 173.15