#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 3.41 0.43 3.17 -2.07 -1.26 -1.21 119.66 122.13 1wr6 s GLN 2 Ca 0.00 -0.39 0.07 0.00 -1.82 0.00 0.00 55.36 53.22 1wr6 s GLN 2 Cb 0.00 -2.96 -0.04 0.00 -1.09 0.00 0.00 33.01 28.92 1wr6 s GLN 2 CO 0.00 0.51 0.20 0.96 -1.32 0.00 0.00 175.29 175.64 1wr6 s ILE 3 N -0.34 2.22 0.07 3.63 -4.36 -0.60 -1.76 121.20 120.05 1wr6 s ILE 3 Ca 0.08 -1.68 0.10 0.00 -0.26 0.00 0.00 60.65 58.88 1wr6 s ILE 3 Cb -0.12 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 1wr6 s ILE 3 CO 0.02 0.00 -0.26 -0.36 0.24 0.00 0.00 174.94 174.58 1wr6 s PHE 4 N -2.62 2.25 -0.10 1.37 0.40 -0.19 -1.39 117.98 117.69 1wr6 s PHE 4 Ca 0.39 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.32 1wr6 s PHE 4 Cb 0.03 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1wr6 s PHE 4 CO 0.22 0.18 -0.07 0.08 0.70 0.00 0.00 175.22 176.33 1wr6 s VAL 5 N -0.88 0.96 -0.14 -0.44 1.01 0.56 0.68 120.40 122.15 1wr6 s VAL 5 Ca 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1wr6 s VAL 5 Cb -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1wr6 s VAL 5 CO 0.03 0.35 0.03 -0.75 0.00 0.00 0.00 175.10 174.76 1wr6 s LYS 6 N 1.61 3.56 0.55 2.72 2.47 0.04 0.87 119.74 131.56 1wr6 s LYS 6 Ca 0.03 -0.38 0.02 0.00 -1.56 0.00 0.00 55.97 54.08 1wr6 s LYS 6 Cb -0.13 -3.02 0.04 0.00 -1.46 0.00 0.00 37.83 33.27 1wr6 s LYS 6 CO -0.07 0.45 0.77 0.95 0.16 0.00 0.00 175.35 177.61 1wr6 s THR 7 N -0.16 2.63 0.33 3.43 -4.23 0.19 -0.93 115.64 116.91 1wr6 s THR 7 Ca 0.06 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1wr6 s THR 7 Cb -0.12 -2.91 0.09 0.00 1.34 0.00 0.00 72.50 70.89 1wr6 s THR 7 CO 0.02 0.00 1.79 -0.07 -0.54 0.00 0.00 174.62 175.81 1wr6 h LEU 8 N 0.09 0.24 0.00 4.79 3.38 -1.89 -1.51 115.31 120.41 1wr6 h LEU 8 Ca -0.40 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wr6 h LEU 8 Cb 1.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1wr6 h LEU 8 CO 0.49 0.54 0.00 0.35 0.09 0.00 0.00 178.44 179.91 1wr6 n THR 9 N -4.12 0.67 -0.27 0.22 -2.24 -1.26 -4.85 114.28 102.42 1wr6 n THR 9 Ca -0.01 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1wr6 n THR 9 Cb 0.39 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.02 0.67 3.82 3.38 0.00 -0.57 -5.06 105.19 107.45 1wr6 n GLY 10 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.73 4.19 -0.08 1.61 1.02 -1.26 -4.79 119.74 119.70 1wr6 s LYS 11 Ca 0.00 1.04 0.02 0.00 0.02 0.00 0.00 55.97 57.05 1wr6 s LYS 11 Cb 0.00 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1wr6 s LYS 11 CO 0.00 0.01 -0.14 0.99 -0.92 0.00 0.00 175.35 175.29 1wr6 s THR 12 N -2.13 3.03 -0.14 2.17 2.01 -1.26 -0.64 115.64 118.69 1wr6 s THR 12 Ca 0.60 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 1wr6 s THR 12 Cb -0.09 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1wr6 s THR 12 CO 0.14 0.57 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.92 1wr6 s ILE 13 N -0.33 3.43 -0.14 1.82 1.01 0.25 -4.94 121.20 122.29 1wr6 s ILE 13 Ca 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1wr6 s ILE 13 Cb -0.13 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1wr6 s ILE 13 CO 0.02 0.52 0.00 -0.89 0.00 0.00 0.00 174.94 174.59 1wr6 s THR 14 N 0.28 4.25 0.18 2.92 2.01 -1.26 -0.32 115.64 123.70 1wr6 s THR 14 Ca -0.07 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.78 1wr6 s THR 14 Cb -0.15 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1wr6 s THR 14 CO 0.04 0.51 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.54 1wr6 s LEU 15 N 0.04 2.46 -0.40 4.42 1.43 -0.49 -4.99 118.68 121.15 1wr6 s LEU 15 Ca 0.02 -0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 52.14 1wr6 s LEU 15 Cb -0.13 -0.87 0.06 0.00 0.03 0.00 0.00 46.19 45.28 1wr6 s LEU 15 CO 0.02 -0.03 0.23 -1.61 0.23 0.00 0.00 176.35 175.19 1wr6 s GLU 16 N -2.90 2.67 0.19 1.70 0.41 -1.26 -1.56 118.70 117.94 1wr6 s GLU 16 Ca 0.18 -1.32 0.01 0.00 -0.41 0.00 0.00 54.97 53.43 1wr6 s GLU 16 Cb -0.05 -3.73 -0.00 0.00 -1.78 0.00 0.00 34.13 28.56 1wr6 s GLU 16 CO 0.07 -0.85 0.04 1.33 -0.49 0.00 0.00 175.26 175.37 1wr6 n VAL 17 N 4.93 0.00 -3.83 2.63 0.24 -0.35 -5.01 118.33 116.95 1wr6 n VAL 17 Ca -0.11 -1.02 -0.12 0.00 -2.04 0.00 0.00 64.34 61.05 1wr6 n VAL 17 Cb 0.44 0.31 -0.10 0.00 -1.47 0.00 0.00 33.84 33.02 1wr6 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wr6 s GLU 18 N -2.71 0.42 0.50 7.34 0.41 -1.26 -2.34 118.70 121.07 1wr6 s GLU 18 Ca 0.06 -0.11 0.26 0.00 -0.41 0.00 0.00 54.97 54.77 1wr6 s GLU 18 Cb 0.00 0.19 1.35 0.00 -1.78 0.00 0.00 34.13 33.89 1wr6 s GLU 18 CO 0.04 -0.09 1.90 -1.35 -0.49 0.00 0.00 175.26 175.26 1wr6 h PRO 19 N 4.78 0.12 0.00 0.39 0.11 -1.95 0.70 132.00 136.14 1wr6 h PRO 19 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1wr6 h PRO 19 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wr6 h PRO 19 CO 0.39 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1wr6 n SER 20 N -4.36 0.00 -4.76 -2.05 3.41 -1.26 -0.23 113.62 104.38 1wr6 n SER 20 Ca 0.17 -0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 57.81 1wr6 n SER 20 Cb 0.83 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.63 1wr6 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wr6 s ASP 21 N -2.20 7.44 0.72 4.04 1.01 0.23 -4.82 116.67 123.10 1wr6 s ASP 21 Ca 0.35 2.10 -0.10 0.00 0.71 0.00 0.00 52.55 55.60 1wr6 s ASP 21 Cb 0.18 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.53 1wr6 s ASP 21 CO 0.34 -0.00 1.09 0.42 0.21 0.00 0.00 175.17 177.22 1wr6 s THR 22 N -1.19 2.89 0.27 -1.27 -4.23 -1.26 -0.29 115.64 110.56 1wr6 s THR 22 Ca 0.43 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1wr6 s THR 22 Cb -0.29 -3.27 0.09 0.00 1.34 0.00 0.00 72.50 70.37 1wr6 s THR 22 CO 0.36 -0.33 1.73 0.40 -0.54 0.00 0.00 174.62 176.24 1wr6 h ILE 23 N -0.71 1.25 -0.88 2.99 1.08 -0.86 -1.86 117.51 118.51 1wr6 h ILE 23 Ca -0.45 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1wr6 h ILE 23 Cb 1.29 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 1wr6 h ILE 23 CO 0.64 0.38 0.55 -0.08 -0.69 0.00 0.00 178.15 178.95 1wr6 h GLU 24 N 0.57 1.19 -0.14 2.37 4.81 -1.70 -1.20 114.58 120.49 1wr6 h GLU 24 Ca 0.10 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1wr6 h GLU 24 Cb 0.58 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1wr6 h GLU 24 CO 0.04 0.81 -0.58 -0.97 -0.73 0.00 0.00 179.01 177.58 1wr6 h ASN 25 N 1.21 0.49 -0.75 1.04 -1.24 -1.75 -0.70 115.58 113.88 1wr6 h ASN 25 Ca 0.32 -0.27 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 1wr6 h ASN 25 Cb -0.09 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 1wr6 h ASN 25 CO -0.06 0.96 0.28 0.58 -1.29 0.00 0.00 177.43 177.90 1wr6 h VAL 26 N 0.33 1.26 -0.56 2.57 2.07 -0.75 -1.00 116.25 120.16 1wr6 h VAL 26 Ca 0.00 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1wr6 h VAL 26 Cb 1.11 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1wr6 h VAL 26 CO 0.10 0.34 0.07 0.11 0.02 0.00 0.00 177.57 178.21 1wr6 h LYS 27 N 1.11 0.91 -0.79 1.57 1.57 -0.91 -1.83 116.57 118.20 1wr6 h LYS 27 Ca 0.25 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1wr6 h LYS 27 Cb 0.24 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1wr6 h LYS 27 CO -0.02 0.86 0.41 0.00 -0.57 0.00 0.00 179.45 180.13 1wr6 h ALA 28 N 1.22 1.22 -0.42 3.86 0.00 -0.35 0.21 119.26 125.00 1wr6 h ALA 28 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1wr6 h ALA 28 Cb 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wr6 h ALA 28 CO 0.01 0.61 -0.05 0.87 0.00 0.00 0.00 179.25 180.70 1wr6 h LYS 29 N 1.12 0.77 -0.84 0.00 1.57 -0.81 0.92 116.57 119.30 1wr6 h LYS 29 Ca 0.28 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1wr6 h LYS 29 Cb 0.07 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1wr6 h LYS 29 CO -0.04 0.87 0.54 0.82 -0.57 0.00 0.00 179.45 181.07 1wr6 h ILE 30 N 0.60 1.11 -0.82 1.86 2.04 -0.68 0.16 117.51 121.77 1wr6 h ILE 30 Ca 0.11 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1wr6 h ILE 30 Cb 0.55 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1wr6 h ILE 30 CO 0.03 0.19 0.42 -0.61 0.00 0.00 0.00 178.15 178.18 1wr6 h GLN 31 N 1.03 1.16 -0.50 2.37 4.15 -0.09 0.11 115.11 123.34 1wr6 h GLN 31 Ca 0.34 -0.15 0.03 0.00 0.77 0.00 0.00 58.65 59.64 1wr6 h GLN 31 Cb 0.05 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.48 1wr6 h GLN 31 CO -0.13 0.87 0.29 -0.44 -1.93 0.00 0.00 178.83 177.49 1wr6 h ASP 32 N 1.16 0.45 0.43 -0.69 3.32 0.17 0.88 116.42 122.14 1wr6 h ASP 32 Ca 0.29 0.01 -0.31 0.00 0.02 0.00 0.00 57.03 57.04 1wr6 h ASP 32 Cb 0.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1wr6 h ASP 32 CO -0.04 0.32 -1.55 0.11 -1.72 0.00 0.00 179.24 176.36 1wr6 h LYS 33 N 0.57 0.26 0.00 3.56 1.57 -0.67 -3.40 116.57 118.46 1wr6 h LYS 33 Ca 0.21 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1wr6 h LYS 33 Cb 0.05 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1wr6 h LYS 33 CO -0.11 1.13 -1.33 0.39 -0.57 0.00 0.00 179.45 178.96 1wr6 n GLU 34 N -3.46 0.99 -0.64 3.15 -0.58 -0.01 -5.00 120.64 115.09 1wr6 n GLU 34 Ca -0.17 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1wr6 n GLU 34 Cb 1.05 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 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 1.68 0.76 3.68 0.62 0.00 0.30 -5.03 105.19 107.21 1wr6 n GLY 35 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.73 4.46 0.45 -0.61 1.01 -1.26 -4.97 121.20 117.56 1wr6 s ILE 36 Ca 0.00 1.76 -0.24 0.00 0.00 0.00 0.00 60.65 62.17 1wr6 s ILE 36 Cb 0.00 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1wr6 s ILE 36 CO 0.00 -0.02 1.27 -2.84 0.00 0.00 0.00 174.94 173.36 1wr6 s PRO 37 N 2.27 3.74 0.22 2.79 0.02 -1.26 -3.94 135.00 138.83 1wr6 s PRO 37 Ca 0.53 2.06 -0.08 0.00 0.02 0.00 0.00 61.00 63.53 1wr6 s PRO 37 Cb -0.22 -2.55 0.32 0.00 0.02 0.00 0.00 34.50 32.07 1wr6 s PRO 37 CO 0.19 -0.65 1.77 -1.35 -0.33 0.00 0.00 177.00 176.63 1wr6 h PRO 38 N 2.25 0.53 0.00 5.54 0.11 -1.93 -1.73 132.00 136.76 1wr6 h PRO 38 Ca -0.50 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1wr6 h PRO 38 Cb 1.26 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1wr6 h PRO 38 CO 0.61 0.35 -0.01 0.38 -0.21 0.00 0.00 178.00 179.12 1wr6 h ASP 39 N 0.55 0.00 0.90 -2.05 3.04 -1.99 0.16 116.42 117.03 1wr6 h ASP 39 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 1wr6 h ASP 39 Cb 0.38 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.67 1wr6 h ASP 39 CO -0.28 0.01 -0.37 0.00 -2.04 0.00 0.00 179.24 176.56 1wr6 n GLN 40 N -3.74 0.16 -3.60 4.15 6.02 -0.67 -4.88 117.38 114.82 1wr6 n GLN 40 Ca -0.03 0.07 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 1wr6 n GLN 40 Cb 0.09 -1.62 -0.06 0.00 1.02 0.00 0.00 30.24 29.67 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 -3.08 3.76 -0.07 -1.09 -0.21 0.57 -1.94 119.66 117.60 1wr6 s GLN 41 Ca 0.10 0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.64 1wr6 s GLN 41 Cb 0.15 -3.10 0.04 0.00 1.00 0.00 0.00 33.01 31.10 1wr6 s GLN 41 CO 0.66 0.64 0.17 1.03 -2.12 0.00 0.00 175.29 175.66 1wr6 s ARG 42 N -1.53 0.12 -0.01 2.91 0.52 -0.52 -4.97 118.95 115.48 1wr6 s ARG 42 Ca 0.28 0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.94 1wr6 s ARG 42 Cb -0.15 -0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.15 1wr6 s ARG 42 CO 0.15 -0.15 -0.16 -0.51 0.02 0.00 0.00 175.30 174.65 1wr6 s LEU 43 N 1.11 2.67 -0.03 2.53 1.43 -1.26 -0.87 118.68 124.26 1wr6 s LEU 43 Ca -0.08 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1wr6 s LEU 43 Cb -0.10 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 1wr6 s LEU 43 CO -0.06 0.30 -0.15 -0.63 0.23 0.00 0.00 176.35 176.04 1wr6 s ILE 44 N -0.82 1.25 -0.05 -0.59 1.01 -0.17 -0.41 121.20 121.42 1wr6 s ILE 44 Ca 0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 1wr6 s ILE 44 Cb -0.11 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.33 1wr6 s ILE 44 CO 0.03 0.36 0.08 0.12 0.00 0.00 0.00 174.94 175.53 1wr6 s PHE 45 N -0.05 -0.02 -1.19 3.97 5.36 -0.17 -1.35 117.98 124.54 1wr6 s PHE 45 Ca -0.01 0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 56.25 1wr6 s PHE 45 Cb -0.09 -0.35 -0.02 0.00 -0.34 0.00 0.00 43.02 42.22 1wr6 s PHE 45 CO 0.01 -0.18 0.85 0.00 -1.46 0.00 0.00 175.22 174.43 1wr6 n ALA 46 N 4.97 -2.22 -0.58 11.12 0.00 -1.26 -2.07 120.51 130.48 1wr6 n ALA 46 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1wr6 n ALA 46 Cb 0.50 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.56 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 -1.38 0.36 3.54 0.00 0.00 -1.26 -4.97 105.19 101.49 1wr6 n GLY 47 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.62 2.11 0.09 1.61 -0.14 -0.88 -5.11 119.74 116.80 1wr6 s LYS 48 Ca 0.00 -1.00 -0.25 0.00 -1.36 0.00 0.00 55.97 53.36 1wr6 s LYS 48 Cb 0.00 -2.28 -0.07 0.00 -1.68 0.00 0.00 37.83 33.81 1wr6 s LYS 48 CO 0.00 0.52 0.75 -1.14 -0.76 0.00 0.00 175.35 174.73 1wr6 s GLN 49 N -1.95 4.50 -0.14 1.68 0.74 -1.26 -1.00 119.66 122.23 1wr6 s GLN 49 Ca 0.19 1.08 -0.20 0.00 0.05 0.00 0.00 55.36 56.48 1wr6 s GLN 49 Cb -0.11 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1wr6 s GLN 49 CO 0.11 0.42 0.55 -0.51 -0.55 0.00 0.00 175.29 175.31 1wr6 s LEU 50 N -0.56 4.23 0.22 3.68 1.43 0.46 -4.95 118.68 123.18 1wr6 s LEU 50 Ca 0.37 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.02 1wr6 s LEU 50 Cb -0.21 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 1wr6 s LEU 50 CO 0.24 -0.11 0.97 -1.61 0.23 0.00 0.00 176.35 176.07 1wr6 s GLU 51 N 1.11 4.79 0.24 1.70 0.41 -1.26 -4.68 118.70 121.01 1wr6 s GLU 51 Ca 0.28 1.53 -0.05 0.00 -0.41 0.00 0.00 54.97 56.32 1wr6 s GLU 51 Cb -0.16 -3.29 0.41 0.00 -1.78 0.00 0.00 34.13 29.31 1wr6 s GLU 51 CO 0.11 0.40 1.76 -0.44 -0.49 0.00 0.00 175.26 176.60 1wr6 h ASP 52 N 4.45 0.40 0.13 -0.19 3.45 -1.97 -3.04 116.42 119.65 1wr6 h ASP 52 Ca -0.45 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.09 1wr6 h ASP 52 Cb 1.20 0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1wr6 h ASP 52 CO 0.69 0.20 -0.09 1.23 -1.57 0.00 0.00 179.24 179.70 1wr6 h GLY 53 N 0.55 -0.21 -1.77 2.75 0.00 -1.96 -2.41 103.07 100.01 1wr6 h GLY 53 Ca 0.39 0.10 -0.54 0.00 0.00 0.00 0.00 47.33 47.28 1wr6 h GLY 53 CO -0.33 -0.09 0.15 0.54 0.00 0.00 0.00 176.54 176.81 1wr6 n ARG 54 N -5.20 0.14 -3.98 4.80 5.12 -1.15 -4.61 116.66 111.78 1wr6 n ARG 54 Ca -0.08 0.12 -0.21 0.00 -1.93 0.00 0.00 57.85 55.75 1wr6 n ARG 54 Cb 0.13 -2.30 -0.04 0.00 -1.16 0.00 0.00 32.46 29.08 1wr6 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wr6 s THR 55 N -2.13 4.19 0.45 0.55 -4.23 -1.26 -0.95 115.64 112.26 1wr6 s THR 55 Ca 0.71 -1.35 0.19 0.00 -1.18 0.00 0.00 61.69 60.06 1wr6 s THR 55 Cb -0.29 -3.36 0.37 0.00 1.34 0.00 0.00 72.50 70.56 1wr6 s THR 55 CO 0.53 -0.28 1.93 -0.07 -0.54 0.00 0.00 174.62 176.19 1wr6 h LEU 56 N 1.36 0.29 -1.17 4.79 3.38 -0.57 0.14 115.31 123.53 1wr6 h LEU 56 Ca -0.47 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1wr6 h LEU 56 Cb 1.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1wr6 h LEU 56 CO 0.60 0.15 0.14 -1.28 0.09 0.00 0.00 178.44 178.13 1wr6 h SER 57 N 0.31 0.67 0.91 -0.43 0.87 -0.85 -1.69 113.55 113.33 1wr6 h SER 57 Ca 0.36 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1wr6 h SER 57 Cb 0.97 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1wr6 h SER 57 CO -0.09 0.64 -0.06 0.44 -0.53 0.00 0.00 176.83 177.23 1wr6 h ASP 58 N 0.71 0.00 -0.53 6.23 3.32 -0.99 -2.65 116.42 122.50 1wr6 h ASP 58 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1wr6 h ASP 58 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1wr6 h ASP 58 CO -0.01 0.06 0.00 -1.22 -1.72 0.00 0.00 179.24 176.35 1wr6 n TYR 59 N -3.20 1.28 -4.10 4.55 4.02 -0.69 -4.94 117.16 114.07 1wr6 n TYR 59 Ca 0.00 -0.65 -0.32 0.00 -0.01 0.00 0.00 57.90 56.92 1wr6 n TYR 59 Cb 0.32 -0.24 -0.02 0.00 -0.02 0.00 0.00 39.34 39.38 1wr6 n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1wr6 n ASN 60 N 0.73 -2.63 -4.72 7.72 3.02 -1.00 -4.92 115.26 113.46 1wr6 n ASN 60 Ca 0.23 -0.98 -0.38 0.00 -0.03 0.00 0.00 54.58 53.43 1wr6 n ASN 60 Cb 0.84 -3.01 -0.06 0.00 -0.61 0.00 0.00 39.78 36.93 1wr6 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wr6 s ILE 61 N -3.49 5.21 0.48 2.41 1.01 -0.85 -5.06 121.20 120.92 1wr6 s ILE 61 Ca 0.51 0.83 0.03 0.00 0.00 0.00 0.00 60.65 62.02 1wr6 s ILE 61 Cb -0.27 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1wr6 s ILE 61 CO 0.90 0.33 0.01 -1.10 0.00 0.00 0.00 174.94 175.08 1wr6 s GLN 62 N 0.70 2.11 0.51 2.79 -0.21 -1.26 -4.65 119.66 119.65 1wr6 s GLN 62 Ca 0.23 -2.31 -0.20 0.00 0.02 0.00 0.00 55.36 53.10 1wr6 s GLN 62 Cb -0.15 -1.48 -0.10 0.00 1.00 0.00 0.00 33.01 32.29 1wr6 s GLN 62 CO 0.08 -0.30 0.55 0.36 -2.12 0.00 0.00 175.29 173.87 1wr6 n LYS 63 N -1.16 0.58 -0.51 2.91 2.85 -1.26 -1.62 118.16 119.94 1wr6 n LYS 63 Ca -0.15 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 1wr6 n LYS 63 Cb 0.67 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1wr6 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1wr6 n GLU 64 N 0.19 0.00 -1.70 -1.58 4.07 -0.72 -4.96 120.64 115.93 1wr6 n GLU 64 Ca 0.11 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.86 1wr6 n GLU 64 Cb 0.45 -3.48 0.07 0.00 -0.06 0.00 0.00 31.44 28.41 1wr6 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1wr6 s SER 65 N -2.53 4.67 -0.17 4.31 0.01 -0.64 -4.70 113.70 114.65 1wr6 s SER 65 Ca 0.00 2.37 -0.00 0.00 1.31 0.00 0.00 55.95 59.63 1wr6 s SER 65 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wr6 s SER 65 CO 0.00 -1.94 -0.15 -0.89 0.41 0.00 0.00 173.24 170.67 1wr6 s THR 66 N -1.80 2.63 0.24 1.44 2.01 -1.26 -1.02 115.64 117.88 1wr6 s THR 66 Ca 0.76 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1wr6 s THR 66 Cb -0.30 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1wr6 s THR 66 CO 0.40 0.51 0.29 -0.76 -0.69 0.00 0.00 174.62 174.36 1wr6 s LEU 67 N 0.99 4.10 -0.10 4.42 1.43 0.21 -4.89 118.68 124.85 1wr6 s LEU 67 Ca -0.02 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1wr6 s LEU 67 Cb -0.15 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1wr6 s LEU 67 CO -0.03 -0.05 -0.16 -1.00 0.23 0.00 0.00 176.35 175.33 1wr6 s HIS 68 N -2.04 2.70 -0.17 0.29 3.76 -0.45 -0.78 115.29 118.61 1wr6 s HIS 68 Ca 0.33 -0.58 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1wr6 s HIS 68 Cb -0.09 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 1wr6 s HIS 68 CO 0.27 -0.14 0.07 -1.17 -0.85 0.00 0.00 174.74 172.92 1wr6 s LEU 69 N 0.02 3.87 -0.04 0.89 2.96 -0.10 -1.00 118.68 125.27 1wr6 s LEU 69 Ca -0.06 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1wr6 s LEU 69 Cb -0.15 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1wr6 s LEU 69 CO 0.05 0.22 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.49 1wr6 s VAL 70 N 0.10 1.02 -0.06 1.68 1.01 -0.05 -4.08 120.40 120.02 1wr6 s VAL 70 Ca 0.05 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1wr6 s VAL 70 Cb -0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1wr6 s VAL 70 CO 0.01 0.31 -0.11 -0.76 0.00 0.00 0.00 175.10 174.55 1wr6 s LEU 71 N 0.28 2.93 0.00 3.92 1.43 -1.26 -1.44 118.68 124.54 1wr6 s LEU 71 Ca -0.06 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1wr6 s LEU 71 Cb -0.11 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.57 1wr6 s LEU 71 CO 0.02 0.35 0.57 0.54 0.23 0.00 0.00 176.35 178.06