#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr6 s GLN 2 N 0.00 3.12 0.36 3.17 0.74 -1.26 -1.21 119.66 124.58 1wr6 s GLN 2 Ca 0.00 -0.80 0.08 0.00 0.05 0.00 0.00 55.36 54.69 1wr6 s GLN 2 Cb 0.00 -2.54 -0.07 0.00 1.10 0.00 0.00 33.01 31.50 1wr6 s GLN 2 CO 0.00 -0.00 -0.05 0.96 -0.55 0.00 0.00 175.29 175.64 1wr6 s ILE 3 N 0.83 2.06 -0.14 -2.34 -4.36 -0.90 0.36 121.20 116.70 1wr6 s ILE 3 Ca -0.06 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.22 1wr6 s ILE 3 Cb -0.15 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.84 1wr6 s ILE 3 CO -0.01 -0.14 -0.18 -0.36 0.24 0.00 0.00 174.94 174.48 1wr6 s PHE 4 N -2.71 2.39 -0.42 1.37 0.40 0.11 -2.01 117.98 117.10 1wr6 s PHE 4 Ca 0.33 -1.25 -0.10 0.00 -0.60 0.00 0.00 56.93 55.31 1wr6 s PHE 4 Cb 0.05 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.97 1wr6 s PHE 4 CO 0.16 -0.62 0.27 0.08 0.70 0.00 0.00 175.22 175.81 1wr6 s VAL 5 N 1.07 4.40 -0.05 -0.44 1.01 -0.45 0.24 120.40 126.18 1wr6 s VAL 5 Ca -0.03 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.48 1wr6 s VAL 5 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1wr6 s VAL 5 CO -0.05 -0.47 0.57 -0.54 0.00 0.00 0.00 175.10 174.61 1wr6 s LYS 6 N 1.47 4.33 0.58 2.72 -0.14 0.18 -2.47 119.74 126.41 1wr6 s LYS 6 Ca 0.03 0.66 0.02 0.00 -1.36 0.00 0.00 55.97 55.32 1wr6 s LYS 6 Cb -0.23 -3.39 0.05 0.00 -1.68 0.00 0.00 37.83 32.59 1wr6 s LYS 6 CO 0.03 0.26 0.81 0.95 -0.76 0.00 0.00 175.35 176.64 1wr6 s THR 7 N 0.21 2.55 0.31 2.17 -4.23 -0.70 -0.30 115.64 115.65 1wr6 s THR 7 Ca 0.30 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1wr6 s THR 7 Cb -0.17 -2.86 0.09 0.00 1.34 0.00 0.00 72.50 70.89 1wr6 s THR 7 CO 0.15 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 175.93 1wr6 h LEU 8 N -0.01 0.40 0.00 4.79 3.38 -1.90 -2.38 115.31 119.60 1wr6 h LEU 8 Ca -0.40 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1wr6 h LEU 8 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1wr6 h LEU 8 CO 0.49 0.64 0.00 0.35 0.09 0.00 0.00 178.44 180.01 1wr6 n THR 9 N -4.15 1.00 -0.01 0.22 -2.24 -1.26 -4.83 114.28 103.01 1wr6 n THR 9 Ca -0.00 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1wr6 n THR 9 Cb 0.38 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1wr6 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wr6 n GLY 10 N -0.05 0.65 3.78 3.38 0.00 -0.90 -5.07 105.19 106.99 1wr6 n GLY 10 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1wr6 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wr6 s LYS 11 N -0.99 2.63 -0.01 1.61 -0.14 -1.26 -4.82 119.74 116.76 1wr6 s LYS 11 Ca 0.00 1.22 0.00 0.00 -1.36 0.00 0.00 55.97 55.83 1wr6 s LYS 11 Cb 0.00 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.22 1wr6 s LYS 11 CO 0.00 -1.36 0.01 0.99 -0.76 0.00 0.00 175.35 174.23 1wr6 s THR 12 N -2.69 -0.02 -0.09 2.17 2.01 -1.26 -1.73 115.64 114.04 1wr6 s THR 12 Ca 0.63 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.73 1wr6 s THR 12 Cb -0.18 -0.05 0.02 0.00 0.01 0.00 0.00 72.50 72.30 1wr6 s THR 12 CO 0.49 0.04 -0.08 0.27 -0.69 0.00 0.00 174.62 174.65 1wr6 s ILE 13 N 0.49 0.96 -0.18 1.82 -4.36 -1.03 -4.98 121.20 113.93 1wr6 s ILE 13 Ca -0.04 -0.31 -0.16 0.00 -0.26 0.00 0.00 60.65 59.88 1wr6 s ILE 13 Cb -0.06 -0.95 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 1wr6 s ILE 13 CO -0.01 0.34 0.42 0.42 0.24 0.00 0.00 174.94 176.35 1wr6 s THR 14 N 1.28 5.19 -0.09 8.37 -4.23 -1.26 -1.35 115.64 123.55 1wr6 s THR 14 Ca -0.03 0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 61.25 1wr6 s THR 14 Cb -0.14 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 1wr6 s THR 14 CO -0.03 0.27 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.49 1wr6 s LEU 15 N 1.14 3.14 -0.70 4.79 1.43 -0.85 -4.94 118.68 122.67 1wr6 s LEU 15 Ca 0.21 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 1wr6 s LEU 15 Cb -0.15 -1.70 0.13 0.00 0.03 0.00 0.00 46.19 44.50 1wr6 s LEU 15 CO 0.08 0.30 0.81 -1.83 0.23 0.00 0.00 176.35 175.94 1wr6 s GLU 16 N -0.45 3.26 0.49 1.70 1.03 -1.26 -2.13 118.70 121.35 1wr6 s GLU 16 Ca 0.07 -1.60 0.02 0.00 0.03 0.00 0.00 54.97 53.48 1wr6 s GLU 16 Cb -0.12 -4.43 -0.01 0.00 -0.80 0.00 0.00 34.13 28.77 1wr6 s GLU 16 CO 0.02 -1.55 0.03 0.14 -1.33 0.00 0.00 175.26 172.56 1wr6 s VAL 17 N 2.27 1.05 0.09 1.83 -7.23 -0.35 -4.86 120.40 113.19 1wr6 s VAL 17 Ca 0.17 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 1wr6 s VAL 17 Cb -0.18 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1wr6 s VAL 17 CO 0.00 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.96 1wr6 s GLU 18 N -3.85 1.27 0.15 4.82 0.41 -1.26 0.70 118.70 120.95 1wr6 s GLU 18 Ca 0.09 -1.13 0.05 0.00 -0.41 0.00 0.00 54.97 53.57 1wr6 s GLU 18 Cb 0.02 -1.53 0.30 0.00 -1.78 0.00 0.00 34.13 31.13 1wr6 s GLU 18 CO 0.05 0.37 0.98 -2.30 -0.49 0.00 0.00 175.26 173.87 1wr6 n PRO 19 N 1.29 0.04 0.03 0.39 -0.02 -1.26 0.17 135.00 135.64 1wr6 n PRO 19 Ca -0.19 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 1wr6 n PRO 19 Cb 0.53 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.95 1wr6 n PRO 19 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1wr6 h SER 20 N 0.00 0.28 -1.20 2.55 0.02 -1.97 -2.68 113.55 110.55 1wr6 h SER 20 Ca 0.00 -0.46 -0.73 0.00 -0.84 0.00 0.00 61.79 59.76 1wr6 h SER 20 Cb 0.59 -0.09 0.07 0.00 0.14 0.00 0.00 62.40 63.11 1wr6 h SER 20 CO 0.00 1.39 0.00 0.47 -1.14 0.00 0.00 176.83 177.55 1wr6 n ASP 21 N -3.36 0.07 -4.89 3.07 9.92 0.13 -4.65 116.55 116.84 1wr6 n ASP 21 Ca -0.18 1.15 -0.29 0.00 -0.53 0.00 0.00 54.79 54.94 1wr6 n ASP 21 Cb 1.04 -0.99 -0.01 0.00 -0.64 0.00 0.00 41.12 40.52 1wr6 n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1wr6 s THR 22 N -0.20 4.84 0.47 -3.53 -4.23 -1.26 -1.78 115.64 109.95 1wr6 s THR 22 Ca 0.82 0.44 0.19 0.00 -1.18 0.00 0.00 61.69 61.96 1wr6 s THR 22 Cb -1.11 -3.82 0.36 0.00 1.34 0.00 0.00 72.50 69.27 1wr6 s THR 22 CO 0.55 -0.78 1.98 0.40 -0.54 0.00 0.00 174.62 176.23 1wr6 h ILE 23 N 0.45 0.81 -0.04 2.99 1.08 -1.41 0.24 117.51 121.64 1wr6 h ILE 23 Ca -0.47 -0.09 -0.08 0.00 -0.39 0.00 0.00 64.86 63.84 1wr6 h ILE 23 Cb 1.20 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1wr6 h ILE 23 CO 0.62 0.05 -0.34 -0.08 -0.69 0.00 0.00 178.15 177.71 1wr6 h GLU 24 N 0.25 0.07 -0.00 2.37 4.81 -1.82 -2.56 114.58 117.69 1wr6 h GLU 24 Ca 0.28 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.30 1wr6 h GLU 24 Cb 0.77 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1wr6 h GLU 24 CO -0.06 0.40 -0.85 -0.97 -0.73 0.00 0.00 179.01 176.81 1wr6 h ASN 25 N 0.06 0.20 0.03 1.04 -0.00 -0.86 -2.44 115.58 113.62 1wr6 h ASN 25 Ca 0.01 -0.16 -0.18 0.00 -0.00 0.00 0.00 56.30 55.96 1wr6 h ASN 25 Cb 0.63 -0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1wr6 h ASN 25 CO 0.05 0.96 -0.63 0.58 -0.00 0.00 0.00 177.43 178.38 1wr6 h VAL 26 N 0.09 1.32 -0.25 2.57 2.07 -1.24 -1.74 116.25 119.07 1wr6 h VAL 26 Ca -0.03 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 65.47 1wr6 h VAL 26 Cb 1.47 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1wr6 h VAL 26 CO 0.13 0.59 -0.29 0.11 0.02 0.00 0.00 177.57 178.13 1wr6 h LYS 27 N 0.43 0.49 -0.01 1.57 1.57 -1.43 -2.28 116.57 116.92 1wr6 h LYS 27 Ca -0.01 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1wr6 h LYS 27 Cb 1.21 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1wr6 h LYS 27 CO 0.12 0.73 -0.66 0.00 -0.57 0.00 0.00 179.45 179.07 1wr6 h ALA 28 N 1.27 0.87 -0.35 3.86 0.00 -1.29 -2.24 119.26 121.38 1wr6 h ALA 28 Ca 0.06 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 1wr6 h ALA 28 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1wr6 h ALA 28 CO 0.06 0.81 -0.33 0.87 0.00 0.00 0.00 179.25 180.66 1wr6 h LYS 29 N 0.05 0.84 -0.52 0.00 1.57 -1.05 -2.30 116.57 115.15 1wr6 h LYS 29 Ca -0.01 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1wr6 h LYS 29 Cb 1.17 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1wr6 h LYS 29 CO 0.09 1.08 0.31 0.82 -0.57 0.00 0.00 179.45 181.18 1wr6 h ILE 30 N 0.64 1.16 -0.47 1.86 2.04 -1.32 -2.02 117.51 119.40 1wr6 h ILE 30 Ca 0.06 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1wr6 h ILE 30 Cb 0.91 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1wr6 h ILE 30 CO 0.08 0.17 0.31 -0.61 0.00 0.00 0.00 178.15 178.10 1wr6 h GLN 31 N 0.70 0.59 -0.11 2.37 4.15 -1.24 0.36 115.11 121.93 1wr6 h GLN 31 Ca 0.19 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.45 1wr6 h GLN 31 Cb -0.00 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1wr6 h GLN 31 CO -0.03 0.39 -0.46 -0.44 -1.93 0.00 0.00 178.83 176.36 1wr6 h ASP 32 N 0.61 0.29 0.00 -0.69 3.32 -0.79 0.20 116.42 119.36 1wr6 h ASP 32 Ca 0.17 -0.13 -0.26 0.00 0.02 0.00 0.00 57.03 56.83 1wr6 h ASP 32 Cb -0.04 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1wr6 h ASP 32 CO -0.04 0.71 -2.20 2.29 -1.72 0.00 0.00 179.24 178.28 1wr6 n LYS 33 N -3.99 0.87 -0.10 3.56 2.85 -0.98 -4.60 118.16 115.77 1wr6 n LYS 33 Ca -0.02 -0.05 -0.11 0.00 -1.05 0.00 0.00 58.31 57.09 1wr6 n LYS 33 Cb 0.52 -1.48 -0.14 0.00 -0.65 0.00 0.00 35.03 33.28 1wr6 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wr6 n GLU 34 N -2.58 0.91 -0.43 -1.58 -0.58 0.12 -5.01 120.64 111.50 1wr6 n GLU 34 Ca -0.24 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1wr6 n GLU 34 Cb 0.97 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1wr6 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wr6 n GLY 35 N 1.99 0.73 3.68 0.62 0.00 0.70 -4.99 105.19 107.92 1wr6 n GLY 35 Ca -0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1wr6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr6 s ILE 36 N -2.67 4.09 0.19 -0.61 1.01 -1.26 -4.92 121.20 117.02 1wr6 s ILE 36 Ca 0.00 1.42 -0.31 0.00 0.00 0.00 0.00 60.65 61.75 1wr6 s ILE 36 Cb 0.00 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 1wr6 s ILE 36 CO 0.00 -0.02 1.59 -2.84 0.00 0.00 0.00 174.94 173.67 1wr6 s PRO 37 N 2.47 4.19 0.55 2.79 0.02 -1.26 -3.83 135.00 139.94 1wr6 s PRO 37 Ca 0.58 2.43 0.33 0.00 0.02 0.00 0.00 61.00 64.36 1wr6 s PRO 37 Cb -0.26 -3.12 1.48 0.00 0.02 0.00 0.00 34.50 32.62 1wr6 s PRO 37 CO 0.22 -0.62 1.83 -1.35 -0.33 0.00 0.00 177.00 176.75 1wr6 h PRO 38 N 6.50 0.00 -0.85 5.54 0.11 -1.94 0.38 132.00 141.74 1wr6 h PRO 38 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1wr6 h PRO 38 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1wr6 h PRO 38 CO 0.90 0.00 0.46 -0.44 -0.21 0.00 0.00 178.00 178.71 1wr6 h ASP 39 N 0.00 1.07 0.14 -2.05 3.45 -1.97 -2.37 116.42 114.70 1wr6 h ASP 39 Ca 0.44 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.80 1wr6 h ASP 39 Cb 1.89 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 40.39 1wr6 h ASP 39 CO -0.00 0.87 -0.06 0.00 -1.57 0.00 0.00 179.24 178.47 1wr6 n GLN 40 N -4.36 1.10 -3.36 3.56 6.02 0.12 -4.88 117.38 115.57 1wr6 n GLN 40 Ca 0.09 -0.45 -0.35 0.00 -0.01 0.00 0.00 57.00 56.27 1wr6 n GLN 40 Cb 0.10 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 1wr6 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1wr6 s GLN 41 N -2.21 3.98 -0.21 -1.09 -0.21 -0.89 -2.83 119.66 116.20 1wr6 s GLN 41 Ca 0.36 0.49 -0.04 0.00 0.02 0.00 0.00 55.36 56.19 1wr6 s GLN 41 Cb 0.21 -2.95 0.10 0.00 1.00 0.00 0.00 33.01 31.37 1wr6 s GLN 41 CO 0.41 0.49 0.28 0.50 -2.12 0.00 0.00 175.29 174.84 1wr6 s ARG 42 N -1.92 0.24 0.02 2.91 6.06 -1.13 -4.98 118.95 120.15 1wr6 s ARG 42 Ca 0.37 0.37 -0.10 0.00 -2.50 0.00 0.00 55.73 53.87 1wr6 s ARG 42 Cb -0.15 -0.85 -0.05 0.00 0.06 0.00 0.00 34.95 33.95 1wr6 s ARG 42 CO 0.19 -0.61 0.35 -0.51 -2.50 0.00 0.00 175.30 172.22 1wr6 s LEU 43 N 2.41 4.39 -0.00 -0.88 1.43 -1.26 -1.13 118.68 123.64 1wr6 s LEU 43 Ca 0.08 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1wr6 s LEU 43 Cb -0.15 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1wr6 s LEU 43 CO -0.13 0.25 -0.11 -0.63 0.23 0.00 0.00 176.35 175.97 1wr6 s ILE 44 N -1.25 0.84 -0.16 -0.59 1.01 0.67 -1.87 121.20 119.84 1wr6 s ILE 44 Ca 0.28 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1wr6 s ILE 44 Cb -0.14 -0.72 0.07 0.00 0.01 0.00 0.00 42.46 41.69 1wr6 s ILE 44 CO 0.15 0.18 0.33 0.12 0.00 0.00 0.00 174.94 175.72 1wr6 s PHE 45 N -0.35 -0.58 -1.20 3.97 5.36 -0.44 -1.35 117.98 123.38 1wr6 s PHE 45 Ca 0.03 1.21 -0.08 0.00 -0.96 0.00 0.00 56.93 57.13 1wr6 s PHE 45 Cb -0.05 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.76 1wr6 s PHE 45 CO -0.00 -0.40 1.05 0.00 -1.46 0.00 0.00 175.22 174.40 1wr6 n ALA 46 N 5.32 -1.18 -1.16 11.12 0.00 -1.26 -2.66 120.51 130.69 1wr6 n ALA 46 Ca -0.08 0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 1wr6 n ALA 46 Cb 0.50 -4.88 -0.02 0.00 0.00 0.00 0.00 19.45 15.05 1wr6 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wr6 n GLY 47 N -1.82 0.78 3.20 0.00 0.00 -1.26 -5.01 105.19 101.07 1wr6 n GLY 47 Ca -0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1wr6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wr6 s LYS 48 N -2.05 0.94 0.87 1.61 -0.14 -1.09 -5.15 119.74 114.73 1wr6 s LYS 48 Ca 0.00 -0.99 -0.13 0.00 -1.36 0.00 0.00 55.97 53.49 1wr6 s LYS 48 Cb 0.00 -1.02 0.13 0.00 -1.68 0.00 0.00 37.83 35.26 1wr6 s LYS 48 CO 0.00 0.23 1.23 -1.14 -0.76 0.00 0.00 175.35 174.91 1wr6 s GLN 49 N -1.69 1.43 -0.13 1.68 0.74 -1.26 -1.33 119.66 119.10 1wr6 s GLN 49 Ca 0.01 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.30 1wr6 s GLN 49 Cb -0.10 -1.92 0.02 0.00 1.10 0.00 0.00 33.01 32.12 1wr6 s GLN 49 CO 0.03 -1.91 -0.11 -0.51 -0.55 0.00 0.00 175.29 172.23 1wr6 s LEU 50 N -5.69 1.47 0.09 3.68 1.43 -0.78 -4.80 118.68 114.08 1wr6 s LEU 50 Ca 0.67 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.14 1wr6 s LEU 50 Cb -0.08 -1.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 1wr6 s LEU 50 CO 0.50 -0.08 0.65 -1.61 0.23 0.00 0.00 176.35 176.05 1wr6 s GLU 51 N 1.57 4.36 0.41 1.70 0.41 -1.26 -4.72 118.70 121.16 1wr6 s GLU 51 Ca 0.05 0.89 0.17 0.00 -0.41 0.00 0.00 54.97 55.67 1wr6 s GLU 51 Cb -0.13 -3.27 1.07 0.00 -1.78 0.00 0.00 34.13 30.01 1wr6 s GLU 51 CO -0.09 0.54 1.83 -0.44 -0.49 0.00 0.00 175.26 176.60 1wr6 h ASP 52 N 4.76 0.44 0.34 -0.19 5.19 -1.97 -2.28 116.42 122.71 1wr6 h ASP 52 Ca -0.48 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 1wr6 h ASP 52 Cb 1.21 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1wr6 h ASP 52 CO 0.66 0.15 -0.18 1.23 -3.12 0.00 0.00 179.24 177.98 1wr6 h GLY 53 N 0.43 -0.50 -1.10 2.75 0.00 -1.96 -3.16 103.07 99.54 1wr6 h GLY 53 Ca 0.51 0.20 -0.44 0.00 0.00 0.00 0.00 47.33 47.60 1wr6 h GLY 53 CO -0.22 -0.19 0.01 0.50 0.00 0.00 0.00 176.54 176.65 1wr6 s ARG 54 N -6.12 -0.93 0.40 4.80 1.81 -0.86 -4.78 118.95 113.28 1wr6 s ARG 54 Ca -0.15 0.86 0.05 0.00 -1.72 0.00 0.00 55.73 54.76 1wr6 s ARG 54 Cb 0.05 -1.55 -0.06 0.00 -0.45 0.00 0.00 34.95 32.93 1wr6 s ARG 54 CO 0.64 -3.73 0.03 0.95 -0.68 0.00 0.00 175.30 172.51 1wr6 s THR 55 N -2.46 1.57 0.46 0.02 -4.23 -1.26 -2.19 115.64 107.55 1wr6 s THR 55 Ca 0.68 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.31 1wr6 s THR 55 Cb -0.25 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.06 1wr6 s THR 55 CO 0.64 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.75 1wr6 h LEU 56 N 1.83 0.26 -0.88 4.79 3.38 -1.53 -0.77 115.31 122.39 1wr6 h LEU 56 Ca -0.43 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1wr6 h LEU 56 Cb 1.25 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1wr6 h LEU 56 CO 0.75 0.19 -0.02 -1.28 0.09 0.00 0.00 178.44 178.17 1wr6 h SER 57 N 0.31 0.78 -0.31 -0.43 0.87 -1.73 -2.36 113.55 110.68 1wr6 h SER 57 Ca 0.10 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1wr6 h SER 57 Cb 0.02 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1wr6 h SER 57 CO -0.02 0.86 0.21 0.44 -0.53 0.00 0.00 176.83 177.78 1wr6 h ASP 58 N 0.75 0.36 -0.05 6.23 5.19 -1.44 -2.53 116.42 124.93 1wr6 h ASP 58 Ca 0.14 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1wr6 h ASP 58 Cb 0.48 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1wr6 h ASP 58 CO 0.02 0.26 0.00 -1.22 -3.12 0.00 0.00 179.24 175.18 1wr6 n TYR 59 N -4.87 0.06 -3.26 4.55 4.02 -1.14 -4.93 117.16 111.60 1wr6 n TYR 59 Ca -0.01 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.90 57.70 1wr6 n TYR 59 Cb 0.02 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.42 1wr6 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1wr6 n ASN 60 N -0.47 -4.24 -4.54 7.72 4.05 -0.95 -4.99 115.26 111.84 1wr6 n ASN 60 Ca 0.14 -0.63 -0.41 0.00 0.45 0.00 0.00 54.58 54.12 1wr6 n ASN 60 Cb 0.13 -4.93 -0.09 0.00 1.23 0.00 0.00 39.78 36.13 1wr6 n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1wr6 s ILE 61 N -3.36 5.12 0.77 -1.44 1.01 -0.92 -5.06 121.20 117.32 1wr6 s ILE 61 Ca 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1wr6 s ILE 61 Cb -0.03 -3.89 0.14 0.00 0.01 0.00 0.00 42.46 38.69 1wr6 s ILE 61 CO 0.70 -0.17 1.06 -1.10 0.00 0.00 0.00 174.94 175.43 1wr6 s GLN 62 N 2.14 1.50 0.66 2.79 -1.52 -1.26 -4.84 119.66 119.14 1wr6 s GLN 62 Ca 0.14 -0.91 -0.16 0.00 -1.95 0.00 0.00 55.36 52.48 1wr6 s GLN 62 Cb -0.16 -2.22 0.00 0.00 -0.22 0.00 0.00 33.01 30.41 1wr6 s GLN 62 CO 0.12 -1.63 1.17 -1.59 -0.25 0.00 0.00 175.29 173.12 1wr6 s LYS 63 N -5.30 2.61 0.00 2.91 -2.85 -1.26 -2.29 119.74 113.56 1wr6 s LYS 63 Ca 0.67 1.65 0.00 0.00 -1.00 0.00 0.00 55.97 57.29 1wr6 s LYS 63 Cb -0.05 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 1wr6 s LYS 63 CO 0.46 -1.45 0.00 0.39 0.10 0.00 0.00 175.35 174.85 1wr6 n GLU 64 N -2.28 -1.56 -0.78 1.78 1.02 0.16 -4.95 120.64 114.03 1wr6 n GLU 64 Ca 0.12 0.39 -0.29 0.00 -0.02 0.00 0.00 57.16 57.37 1wr6 n GLU 64 Cb 0.51 -4.75 0.22 0.00 -0.02 0.00 0.00 31.44 27.39 1wr6 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wr6 s SER 65 N -2.01 1.68 -0.13 1.62 0.01 -0.97 -4.66 113.70 109.23 1wr6 s SER 65 Ca 0.00 1.44 -0.01 0.00 1.31 0.00 0.00 55.95 58.69 1wr6 s SER 65 Cb 0.00 -2.17 0.04 0.00 0.21 0.00 0.00 66.02 64.10 1wr6 s SER 65 CO 0.00 -3.76 -0.01 -0.89 0.41 0.00 0.00 173.24 168.99 1wr6 s THR 66 N -2.65 0.66 0.51 1.44 2.01 -1.26 -0.72 115.64 115.64 1wr6 s THR 66 Ca 0.67 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.40 1wr6 s THR 66 Cb -0.22 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1wr6 s THR 66 CO 0.62 0.10 0.72 -0.76 -0.69 0.00 0.00 174.62 174.61 1wr6 s LEU 67 N 1.83 3.40 -0.09 4.42 1.02 0.14 -4.91 118.68 124.48 1wr6 s LEU 67 Ca 0.02 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.13 1wr6 s LEU 67 Cb -0.14 -2.85 0.01 0.00 0.02 0.00 0.00 46.19 43.22 1wr6 s LEU 67 CO -0.07 -1.01 -0.19 -1.00 0.02 0.00 0.00 176.35 174.09 1wr6 s HIS 68 N -2.65 2.18 -0.11 0.29 3.76 -0.46 -0.65 115.29 117.65 1wr6 s HIS 68 Ca 0.56 -0.91 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1wr6 s HIS 68 Cb -0.10 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1wr6 s HIS 68 CO 0.37 -0.40 0.05 -1.17 -0.85 0.00 0.00 174.74 172.73 1wr6 s LEU 69 N 0.56 3.82 -0.16 0.89 2.96 0.59 -0.24 118.68 127.10 1wr6 s LEU 69 Ca -0.15 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1wr6 s LEU 69 Cb -0.17 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.67 1wr6 s LEU 69 CO 0.05 0.35 0.05 -0.69 -1.32 0.00 0.00 176.35 174.79 1wr6 s VAL 70 N -0.71 0.28 0.61 1.68 1.01 -0.28 -3.88 120.40 119.10 1wr6 s VAL 70 Ca 0.12 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 1wr6 s VAL 70 Cb -0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1wr6 s VAL 70 CO 0.02 -0.14 1.03 -0.76 0.00 0.00 0.00 175.10 175.26 1wr6 s LEU 71 N 1.98 3.34 0.00 3.92 2.01 -1.26 -2.84 118.68 125.82 1wr6 s LEU 71 Ca 0.01 1.56 0.27 0.00 0.01 0.00 0.00 54.13 55.98 1wr6 s LEU 71 Cb -0.16 -4.49 0.76 0.00 0.01 0.00 0.00 46.19 42.31 1wr6 s LEU 71 CO -0.08 -0.98 1.58 -2.11 1.01 0.00 0.00 176.35 175.78