#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx9 n SER 2 N 0.00 -7.73 -0.58 1.61 7.64 -1.26 -4.77 113.62 108.54 1wx9 n SER 2 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1wx9 n SER 2 Cb 0.00 -5.21 0.00 0.00 -1.01 0.00 0.00 64.21 57.99 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wx9 n SER 3 N -1.70 -3.20 0.00 6.43 2.88 -1.26 -5.12 113.62 111.65 1wx9 n SER 3 Ca -0.00 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1wx9 n SER 3 Cb 0.50 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1wx9 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx9 n GLY 4 N 0.05 2.74 2.41 0.46 0.00 -1.26 -5.08 105.19 104.51 1wx9 n GLY 4 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 1wx9 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wx9 n SER 5 N 0.00 -6.57 -2.99 1.61 2.88 -1.26 -4.68 113.62 102.60 1wx9 n SER 5 Ca 0.00 1.66 -0.04 0.00 -1.33 0.00 0.00 58.87 59.16 1wx9 n SER 5 Cb 0.00 -4.83 0.00 0.00 -0.75 0.00 0.00 64.21 58.63 1wx9 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wx9 n SER 6 N 1.86 -7.81 -4.62 -3.46 7.64 -1.26 -5.01 113.62 100.97 1wx9 n SER 6 Ca -0.10 0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.59 1wx9 n SER 6 Cb 0.16 -5.27 -0.10 0.00 -1.01 0.00 0.00 64.21 57.98 1wx9 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wx9 s GLY 7 N -2.83 1.79 -0.09 0.23 0.00 -1.26 -4.71 107.32 100.45 1wx9 s GLY 7 Ca 0.10 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 43.82 1wx9 s GLY 7 CO 0.76 -0.44 0.49 -2.27 0.00 0.00 0.00 173.10 171.64 1wx9 s LEU 8 N -0.52 4.31 0.25 0.66 0.20 -0.37 -4.90 118.68 118.32 1wx9 s LEU 8 Ca 0.09 0.88 -0.13 0.00 0.69 0.00 0.00 54.13 55.66 1wx9 s LEU 8 Cb -0.12 -2.73 -0.08 0.00 -0.43 0.00 0.00 46.19 42.84 1wx9 s LEU 8 CO 0.02 0.03 0.62 -0.70 -0.29 0.00 0.00 176.35 176.04 1wx9 s GLU 9 N 0.40 3.92 -0.14 1.98 2.12 -1.26 -0.77 118.70 124.95 1wx9 s GLU 9 Ca 0.27 0.47 -0.06 0.00 0.36 0.00 0.00 54.97 56.00 1wx9 s GLU 9 Cb -0.16 -2.62 0.06 0.00 0.26 0.00 0.00 34.13 31.67 1wx9 s GLU 9 CO 0.12 0.29 0.32 0.08 -0.54 0.00 0.00 175.26 175.52 1wx9 s VAL 10 N -1.81 -0.20 0.18 3.70 1.01 0.49 0.24 120.40 124.01 1wx9 s VAL 10 Ca 0.48 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.67 1wx9 s VAL 10 Cb -0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1wx9 s VAL 10 CO 0.20 0.07 0.25 -0.76 0.00 0.00 0.00 175.10 174.85 1wx9 s LEU 11 N 1.75 4.13 -0.08 3.92 1.02 -0.37 0.92 118.68 129.97 1wx9 s LEU 11 Ca -0.06 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1wx9 s LEU 11 Cb -0.10 -2.70 0.04 0.00 0.02 0.00 0.00 46.19 43.45 1wx9 s LEU 11 CO -0.10 0.02 0.07 -0.69 0.02 0.00 0.00 176.35 175.67 1wx9 s VAL 12 N -1.83 -0.06 -0.29 -1.59 1.01 -0.89 -1.48 120.40 115.26 1wx9 s VAL 12 Ca 0.33 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1wx9 s VAL 12 Cb -0.10 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1wx9 s VAL 12 CO 0.27 0.04 0.07 -0.75 0.00 0.00 0.00 175.10 174.73 1wx9 s LYS 13 N 2.14 3.05 0.00 2.72 2.20 0.28 -2.16 119.74 127.96 1wx9 s LYS 13 Ca 0.04 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1wx9 s LYS 13 Cb -0.13 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1wx9 s LYS 13 CO -0.05 -0.45 0.00 0.25 -0.36 0.00 0.00 175.35 174.74 1wx9 n THR 14 N 4.84 0.00 -1.59 3.43 -2.24 -1.23 -3.51 114.28 113.99 1wx9 n THR 14 Ca -0.15 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 1wx9 n THR 14 Cb 0.48 -1.93 -0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1wx9 n THR 14 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wx9 n LEU 15 N 0.00 6.97 -1.07 3.22 4.77 -1.26 -3.84 117.00 125.79 1wx9 n LEU 15 Ca 0.00 -4.31 -0.06 0.00 -0.03 0.00 0.00 56.01 51.61 1wx9 n LEU 15 Cb 0.00 -1.14 -0.05 0.00 -2.33 0.00 0.00 43.42 39.90 1wx9 n LEU 15 CO 0.00 1.68 0.34 -0.67 -1.33 0.00 0.00 177.39 177.41 1wx9 n ASP 16 N 0.16 -0.93 -3.82 -1.43 2.03 -1.26 -5.03 116.55 106.27 1wx9 n ASP 16 Ca 0.50 -1.83 -0.32 0.00 0.52 0.00 0.00 54.79 53.67 1wx9 n ASP 16 Cb 0.44 0.30 0.01 0.00 -0.72 0.00 0.00 41.12 41.16 1wx9 n ASP 16 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wx9 n SER 17 N -0.10 -4.91 -3.52 1.67 2.88 -1.25 -4.94 113.62 103.45 1wx9 n SER 17 Ca -0.25 -1.03 -0.29 0.00 -1.33 0.00 0.00 58.87 55.98 1wx9 n SER 17 Cb 0.67 -2.21 -0.12 0.00 -0.75 0.00 0.00 64.21 61.80 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wx9 s GLN 18 N -5.82 0.86 0.04 -1.46 -0.21 -1.26 -5.00 119.66 106.81 1wx9 s GLN 18 Ca 0.25 -1.73 -0.24 0.00 0.02 0.00 0.00 55.36 53.65 1wx9 s GLN 18 Cb -0.12 -1.63 -0.05 0.00 1.00 0.00 0.00 33.01 32.20 1wx9 s GLN 18 CO 0.91 -1.24 0.75 0.99 -2.12 0.00 0.00 175.29 174.57 1wx9 s THR 19 N 0.58 4.75 -0.10 -0.19 2.01 -1.26 -3.51 115.64 117.93 1wx9 s THR 19 Ca 0.22 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 63.80 1wx9 s THR 19 Cb -0.16 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.28 1wx9 s THR 19 CO -0.05 0.37 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.08 1wx9 s ARG 20 N -0.08 1.16 0.11 4.92 0.52 -0.92 -4.92 118.95 119.75 1wx9 s ARG 20 Ca 0.38 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.16 1wx9 s ARG 20 Cb -0.20 -1.37 -0.06 0.00 0.52 0.00 0.00 34.95 33.84 1wx9 s ARG 20 CO 0.22 -0.29 1.02 0.99 0.02 0.00 0.00 175.30 177.27 1wx9 s THR 21 N 1.81 4.32 -0.01 0.02 2.01 -1.26 -2.10 115.64 120.43 1wx9 s THR 21 Ca 0.05 1.89 0.03 0.00 0.31 0.00 0.00 61.69 63.97 1wx9 s THR 21 Cb -0.13 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1wx9 s THR 21 CO -0.07 0.27 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.66 1wx9 s PHE 22 N 0.12 1.01 -0.37 4.92 0.08 0.26 -4.94 117.98 119.07 1wx9 s PHE 22 Ca 0.49 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.30 1wx9 s PHE 22 Cb -0.25 -0.66 0.08 0.00 -0.57 0.00 0.00 43.02 41.62 1wx9 s PHE 22 CO 0.31 -0.03 0.14 0.42 -0.10 0.00 0.00 175.22 175.96 1wx9 s ILE 23 N -0.20 3.40 0.25 0.64 -1.09 -1.26 0.19 121.20 123.13 1wx9 s ILE 23 Ca 0.03 -1.65 0.07 0.00 -2.23 0.00 0.00 60.65 56.87 1wx9 s ILE 23 Cb -0.05 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 1wx9 s ILE 23 CO -0.00 -0.43 -0.08 0.68 -1.23 0.00 0.00 174.94 173.87 1wx9 s VAL 24 N 1.25 1.65 -0.03 2.92 -7.23 0.05 -4.92 120.40 114.08 1wx9 s VAL 24 Ca 0.02 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 1wx9 s VAL 24 Cb -0.22 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 1wx9 s VAL 24 CO -0.02 -0.39 1.47 -0.83 -0.31 0.00 0.00 175.10 175.02 1wx9 s GLY 25 N -3.40 1.71 0.42 2.32 0.00 -1.26 -1.23 107.32 105.88 1wx9 s GLY 25 Ca 0.27 0.86 0.26 0.00 0.00 0.00 0.00 44.72 46.11 1wx9 s GLY 25 CO 0.10 2.68 1.67 0.00 0.00 0.00 0.00 173.10 177.55 1wx9 h ALA 26 N 8.38 2.55 -0.70 3.20 0.00 -1.86 1.47 119.26 132.31 1wx9 h ALA 26 Ca -0.37 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1wx9 h ALA 26 Cb 1.17 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1wx9 h ALA 26 CO 0.93 -1.11 0.39 1.96 0.00 0.00 0.00 179.25 181.41 1wx9 h GLN 27 N 0.18 0.97 -5.29 0.00 1.08 -1.97 -3.35 115.11 106.74 1wx9 h GLN 27 Ca 0.75 -0.11 -0.54 0.00 -1.45 0.00 0.00 58.65 57.29 1wx9 h GLN 27 Cb 2.21 -0.19 0.14 0.00 -0.05 0.00 0.00 27.48 29.59 1wx9 h GLN 27 CO -0.39 0.73 -0.88 -0.12 -0.95 0.00 0.00 178.83 177.21 1wx9 n MET 28 N -4.50 0.00 -3.04 1.46 1.56 0.50 -4.87 117.12 108.24 1wx9 n MET 28 Ca 0.06 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.30 1wx9 n MET 28 Cb 0.09 -0.88 0.01 0.00 2.15 0.00 0.00 33.22 34.59 1wx9 n MET 28 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1wx9 s ASN 29 N -0.88 5.67 0.13 6.12 4.22 -1.26 -3.72 114.94 125.21 1wx9 s ASN 29 Ca 0.52 -0.18 -0.20 0.00 -2.14 0.00 0.00 52.86 50.86 1wx9 s ASN 29 Cb -0.53 -0.96 -0.02 0.00 1.28 0.00 0.00 41.25 41.02 1wx9 s ASN 29 CO 0.56 -0.76 1.70 0.58 -2.04 0.00 0.00 177.10 177.14 1wx9 h VAL 30 N 0.54 0.79 0.02 3.54 2.07 -0.22 -0.60 116.25 122.39 1wx9 h VAL 30 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1wx9 h VAL 30 Cb 1.27 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1wx9 h VAL 30 CO 0.50 0.00 -0.17 0.50 0.02 0.00 0.00 177.57 178.42 1wx9 h LYS 31 N -0.01 -0.22 -0.93 1.57 3.64 -1.72 0.00 116.57 118.91 1wx9 h LYS 31 Ca 0.10 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 1wx9 h LYS 31 Cb 0.16 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 31.89 1wx9 h LYS 31 CO -0.21 -0.15 -0.48 0.93 -2.27 0.00 0.00 179.45 177.27 1wx9 h GLU 32 N -0.23 -0.04 -0.72 1.90 5.08 -1.83 0.48 114.58 119.23 1wx9 h GLU 32 Ca -0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1wx9 h GLU 32 Cb 0.24 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.36 1wx9 h GLU 32 CO -0.10 -0.03 -0.07 0.35 -1.00 0.00 0.00 179.01 178.16 1wx9 h PHE 33 N -0.04 -0.19 -0.63 4.33 3.57 -0.63 0.46 116.94 123.81 1wx9 h PHE 33 Ca 0.24 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.91 1wx9 h PHE 33 Cb 0.52 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.37 1wx9 h PHE 33 CO -0.91 -0.26 0.22 0.87 -2.23 0.00 0.00 178.31 175.99 1wx9 h LYS 34 N 0.06 0.37 -0.13 1.11 1.57 0.19 0.59 116.57 120.32 1wx9 h LYS 34 Ca 0.37 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1wx9 h LYS 34 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1wx9 h LYS 34 CO -0.68 0.24 -0.27 0.93 -0.57 0.00 0.00 179.45 179.11 1wx9 h GLU 35 N 0.38 0.24 0.39 3.15 5.08 0.71 1.40 114.58 125.93 1wx9 h GLU 35 Ca 0.33 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1wx9 h GLU 35 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wx9 h GLU 35 CO -0.35 0.49 -0.19 1.25 -1.00 0.00 0.00 179.01 179.22 1wx9 h HIS 36 N 0.21 -0.48 0.00 4.33 2.76 0.28 -3.15 115.15 119.10 1wx9 h HIS 36 Ca 0.03 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 1wx9 h HIS 36 Cb 0.59 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1wx9 h HIS 36 CO 0.01 -0.16 -0.32 -0.84 -1.30 0.00 0.00 177.93 175.31 1wx9 h ILE 37 N -0.96 0.88 -1.09 6.26 3.07 0.05 -2.72 117.51 122.99 1wx9 h ILE 37 Ca -0.05 -1.29 0.32 0.00 1.55 0.00 0.00 64.86 65.38 1wx9 h ILE 37 Cb 0.54 1.78 -0.04 0.00 -0.27 0.00 0.00 36.82 38.82 1wx9 h ILE 37 CO 0.09 0.32 0.87 0.00 -1.05 0.00 0.00 178.15 178.38 1wx9 h ALA 38 N 1.68 2.99 -0.09 0.16 0.00 0.20 1.11 119.26 125.30 1wx9 h ALA 38 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1wx9 h ALA 38 Cb 0.75 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wx9 h ALA 38 CO 0.04 -1.43 -0.23 0.00 0.00 0.00 0.00 179.25 177.63 1wx9 h ALA 39 N 1.29 0.15 0.50 0.00 0.00 -1.54 0.28 119.26 119.93 1wx9 h ALA 39 Ca 0.52 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wx9 h ALA 39 Cb 2.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1wx9 h ALA 39 CO -0.01 0.12 -0.24 0.77 0.00 0.00 0.00 179.25 179.89 1wx9 h SER 40 N -0.16 -0.57 0.03 0.00 0.02 0.76 -3.04 113.55 110.60 1wx9 h SER 40 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1wx9 h SER 40 Cb 0.84 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1wx9 h SER 40 CO 0.05 -0.15 0.00 -0.37 -1.14 0.00 0.00 176.83 175.21 1wx9 h VAL 41 N -1.17 0.00 -1.68 2.27 -1.51 0.11 -3.45 116.25 110.82 1wx9 h VAL 41 Ca -0.07 -0.02 -0.30 0.00 -1.23 0.00 0.00 66.70 65.09 1wx9 h VAL 41 Cb 0.51 1.00 -0.05 0.00 -2.13 0.00 0.00 31.29 30.62 1wx9 h VAL 41 CO 0.11 0.00 -0.35 -0.24 -1.23 0.00 0.00 177.57 175.87 1wx9 n SER 42 N -3.05 -4.57 -4.17 4.19 2.88 0.82 -5.00 113.62 104.73 1wx9 n SER 42 Ca -0.03 0.10 -0.24 0.00 -1.33 0.00 0.00 58.87 57.38 1wx9 n SER 42 Cb 0.08 -3.61 -0.15 0.00 -0.75 0.00 0.00 64.21 59.78 1wx9 n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wx9 s ILE 43 N -2.68 1.35 0.35 2.46 1.01 -0.14 -4.98 121.20 118.57 1wx9 s ILE 43 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.55 1wx9 s ILE 43 Cb 0.00 -1.14 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 1wx9 s ILE 43 CO 0.00 0.29 1.06 -2.16 0.00 0.00 0.00 174.94 174.13 1wx9 s PRO 44 N -0.64 4.36 0.20 2.79 0.04 -1.26 -4.00 135.00 136.48 1wx9 s PRO 44 Ca 0.06 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 1wx9 s PRO 44 Cb -0.07 -2.81 0.19 0.00 0.04 0.00 0.00 34.50 31.86 1wx9 s PRO 44 CO 0.00 0.01 1.63 1.03 0.04 0.00 0.00 177.00 179.71 1wx9 h SER 45 N 3.04 -0.57 -0.00 6.66 0.87 -1.89 1.32 113.55 122.97 1wx9 h SER 45 Ca -0.48 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1wx9 h SER 45 Cb 1.21 0.37 -0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1wx9 h SER 45 CO 0.64 -0.20 0.34 1.05 -0.53 0.00 0.00 176.83 178.13 1wx9 h GLU 46 N -0.02 0.00 0.00 2.24 4.11 -1.96 0.75 114.58 119.70 1wx9 h GLU 46 Ca 0.27 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.44 1wx9 h GLU 46 Cb 0.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1wx9 h GLU 46 CO -0.59 0.00 -2.13 1.63 0.07 0.00 0.00 179.01 177.99 1wx9 n LYS 47 N -2.89 0.67 -2.35 1.06 5.02 0.41 -4.95 118.16 115.12 1wx9 n LYS 47 Ca -0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 1wx9 n LYS 47 Cb 0.38 -1.58 -0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1wx9 n LYS 47 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wx9 s GLN 48 N -2.77 3.60 -0.50 1.97 -0.21 0.26 -2.66 119.66 119.35 1wx9 s GLN 48 Ca -0.08 0.47 0.07 0.00 0.02 0.00 0.00 55.36 55.83 1wx9 s GLN 48 Cb 0.08 -2.25 0.19 0.00 1.00 0.00 0.00 33.01 32.03 1wx9 s GLN 48 CO 0.84 -0.33 0.70 0.50 -2.12 0.00 0.00 175.29 174.88 1wx9 s ARG 49 N -4.81 1.03 0.16 2.91 3.52 -1.05 -4.86 118.95 115.85 1wx9 s ARG 49 Ca 0.51 -0.97 -0.34 0.00 -0.13 0.00 0.00 55.73 54.80 1wx9 s ARG 49 Cb -0.11 -0.08 -0.14 0.00 -1.56 0.00 0.00 34.95 33.06 1wx9 s ARG 49 CO 0.47 -1.31 1.53 1.28 -0.81 0.00 0.00 175.30 176.46 1wx9 n LEU 50 N 3.20 2.90 -4.08 -0.88 4.77 -1.26 -3.55 117.00 118.08 1wx9 n LEU 50 Ca 0.17 1.09 -0.28 0.00 -0.03 0.00 0.00 56.01 56.96 1wx9 n LEU 50 Cb 0.56 -1.39 -0.17 0.00 -2.33 0.00 0.00 43.42 40.09 1wx9 n LEU 50 CO -0.01 -0.41 -0.50 -0.63 -1.33 0.00 0.00 177.39 174.51 1wx9 s ILE 51 N 0.78 1.53 -0.03 -0.08 1.01 -0.08 -1.08 121.20 123.26 1wx9 s ILE 51 Ca 0.79 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1wx9 s ILE 51 Cb -0.71 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 40.40 1wx9 s ILE 51 CO 0.40 0.45 -0.01 -0.47 0.00 0.00 0.00 174.94 175.31 1wx9 s TYR 52 N 0.79 0.36 -0.09 3.97 6.14 -0.91 -1.98 117.35 125.63 1wx9 s TYR 52 Ca -0.11 -0.03 0.00 0.00 0.64 0.00 0.00 57.07 57.58 1wx9 s TYR 52 Cb -0.16 -0.43 0.00 0.00 0.42 0.00 0.00 41.96 41.80 1wx9 s TYR 52 CO 0.02 -0.13 0.00 1.04 0.64 0.00 0.00 175.55 177.11 1wx9 n GLN 53 N 4.08 -1.37 -0.88 4.97 1.13 -1.26 -1.18 117.38 122.87 1wx9 n GLN 53 Ca -0.26 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1wx9 n GLN 53 Cb 0.51 -4.43 0.00 0.00 0.11 0.00 0.00 30.24 26.42 1wx9 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wx9 n GLY 54 N -0.28 0.70 2.97 1.08 0.00 -1.26 -5.06 105.19 103.34 1wx9 n GLY 54 Ca -0.01 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 1wx9 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wx9 s ARG 55 N -1.86 1.69 -0.32 1.61 3.52 -0.33 -5.08 118.95 118.18 1wx9 s ARG 55 Ca 0.00 -0.36 -0.27 0.00 -0.13 0.00 0.00 55.73 54.96 1wx9 s ARG 55 Cb 0.00 -1.55 -0.05 0.00 -1.56 0.00 0.00 34.95 31.79 1wx9 s ARG 55 CO 0.00 -0.12 2.20 0.54 -0.81 0.00 0.00 175.30 177.11 1wx9 s VAL 56 N 1.18 3.08 0.11 7.11 0.11 -1.26 -2.13 120.40 128.60 1wx9 s VAL 56 Ca -0.04 0.07 -0.35 0.00 -2.93 0.00 0.00 61.98 58.73 1wx9 s VAL 56 Cb -0.14 -3.13 -0.15 0.00 -1.53 0.00 0.00 36.38 31.43 1wx9 s VAL 56 CO -0.03 -0.10 1.53 0.18 -3.33 0.00 0.00 175.10 173.35 1wx9 n LEU 57 N 12.73 2.66 -4.77 2.54 4.77 -0.24 -4.90 117.00 129.79 1wx9 n LEU 57 Ca 0.30 1.09 -0.39 0.00 -0.03 0.00 0.00 56.01 56.98 1wx9 n LEU 57 Cb 0.48 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 1wx9 n LEU 57 CO 0.68 -0.51 0.84 -1.10 -1.33 0.00 0.00 177.39 175.97 1wx9 s GLN 58 N 1.04 4.20 0.02 3.23 1.11 -1.26 -4.78 119.66 123.22 1wx9 s GLN 58 Ca 0.82 1.85 -0.26 0.00 0.01 0.00 0.00 55.36 57.78 1wx9 s GLN 58 Cb -0.77 -2.80 -0.17 0.00 -1.01 0.00 0.00 33.01 28.26 1wx9 s GLN 58 CO 0.42 -0.20 1.31 0.38 0.01 0.00 0.00 175.29 177.21 1wx9 h ASP 59 N 2.91 -0.41 -0.88 5.90 2.03 -1.94 -2.81 116.42 121.23 1wx9 h ASP 59 Ca -0.48 -0.13 0.16 0.00 -0.73 0.00 0.00 57.03 55.85 1wx9 h ASP 59 Cb 1.23 0.11 -0.07 0.00 -0.83 0.00 0.00 39.33 39.77 1wx9 h ASP 59 CO 0.64 -0.08 0.57 -0.78 -1.03 0.00 0.00 179.24 178.56 1wx9 h ASP 60 N -0.76 0.55 -3.42 4.15 3.58 -1.97 -2.81 116.42 115.73 1wx9 h ASP 60 Ca -0.05 0.04 -0.45 0.00 0.42 0.00 0.00 57.03 56.99 1wx9 h ASP 60 Cb 0.51 -0.06 0.21 0.00 1.72 0.00 0.00 39.33 41.70 1wx9 h ASP 60 CO 0.08 0.26 0.05 -0.54 -2.88 0.00 0.00 179.24 176.21 1wx9 s LYS 61 N -5.57 -0.63 0.24 0.28 -0.14 -1.06 -4.68 119.74 108.18 1wx9 s LYS 61 Ca -0.09 0.92 0.11 0.00 -1.36 0.00 0.00 55.97 55.55 1wx9 s LYS 61 Cb 0.22 -1.58 -0.05 0.00 -1.68 0.00 0.00 37.83 34.74 1wx9 s LYS 61 CO 0.78 -3.55 -0.20 0.15 -0.76 0.00 0.00 175.35 171.77 1wx9 s LYS 62 N -4.51 1.56 0.08 1.68 1.02 -1.26 0.00 119.74 118.31 1wx9 s LYS 62 Ca 0.68 -1.65 -0.35 0.00 0.02 0.00 0.00 55.97 54.67 1wx9 s LYS 62 Cb -0.24 -1.68 -0.17 0.00 -0.52 0.00 0.00 37.83 35.21 1wx9 s LYS 62 CO 0.63 0.33 1.59 -0.07 -0.92 0.00 0.00 175.35 176.91 1wx9 h LEU 63 N 2.66 -1.14 -0.82 3.17 -0.00 -1.80 -2.64 115.31 114.74 1wx9 h LEU 63 Ca -0.42 0.07 0.15 0.00 -0.00 0.00 0.00 57.88 57.69 1wx9 h LEU 63 Cb 1.24 0.35 -0.15 0.00 -0.00 0.00 0.00 40.66 42.10 1wx9 h LEU 63 CO 0.56 -0.65 -0.28 -0.61 -0.00 0.00 0.00 178.44 177.46 1wx9 h GLN 64 N -1.02 -0.04 -0.93 1.13 4.15 -1.84 0.51 115.11 117.07 1wx9 h GLN 64 Ca -0.08 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.56 1wx9 h GLN 64 Cb 0.84 0.01 -0.17 0.00 0.21 0.00 0.00 27.48 28.37 1wx9 h GLN 64 CO 0.04 -0.02 -0.10 0.93 -1.93 0.00 0.00 178.83 177.75 1wx9 h GLU 65 N -0.04 0.02 0.00 1.69 4.39 -1.78 1.39 114.58 120.25 1wx9 h GLU 65 Ca 0.35 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.92 1wx9 h GLU 65 Cb 0.60 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1wx9 h GLU 65 CO -0.85 0.01 -0.64 1.88 -1.16 0.00 0.00 179.01 178.25 1wx9 h TYR 66 N 0.02 0.00 -1.74 4.33 0.05 0.02 -3.48 116.97 116.18 1wx9 h TYR 66 Ca 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.27 1wx9 h TYR 66 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.65 1wx9 h TYR 66 CO -0.59 0.64 -0.02 -1.71 -1.05 0.00 0.00 178.16 175.42 1wx9 n ASN 67 N -3.55 -2.06 -0.96 3.88 2.85 0.48 -4.94 115.26 110.97 1wx9 n ASN 67 Ca -0.00 -0.02 0.04 0.00 -0.11 0.00 0.00 54.58 54.49 1wx9 n ASN 67 Cb 0.68 -0.65 0.18 0.00 1.24 0.00 0.00 39.78 41.24 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1wx9 n VAL 68 N -1.68 0.98 -1.62 3.44 0.24 -1.21 -4.80 118.33 113.68 1wx9 n VAL 68 Ca -0.01 -0.59 -0.44 0.00 -2.04 0.00 0.00 64.34 61.26 1wx9 n VAL 68 Cb 0.50 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 1wx9 n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wx9 n GLY 69 N 0.63 1.32 2.74 7.63 0.00 -1.25 -0.34 105.19 115.92 1wx9 n GLY 69 Ca 0.13 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.96 1wx9 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx9 n GLY 70 N 5.28 0.24 3.95 -0.02 0.00 0.14 -4.93 105.19 109.84 1wx9 n GLY 70 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 1wx9 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wx9 s LYS 71 N -1.08 2.83 -0.32 1.61 -0.14 0.54 -4.82 119.74 118.37 1wx9 s LYS 71 Ca 0.00 -0.43 -0.08 0.00 -1.36 0.00 0.00 55.97 54.11 1wx9 s LYS 71 Cb 0.00 -2.44 0.01 0.00 -1.68 0.00 0.00 37.83 33.72 1wx9 s LYS 71 CO 0.00 -0.56 0.12 0.08 -0.76 0.00 0.00 175.35 174.23 1wx9 s VAL 72 N -2.76 4.14 0.63 3.17 1.01 -1.26 -1.23 120.40 124.09 1wx9 s VAL 72 Ca 0.53 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1wx9 s VAL 72 Cb -0.10 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1wx9 s VAL 72 CO 0.40 -0.01 0.89 -0.63 0.00 0.00 0.00 175.10 175.75 1wx9 s ILE 73 N 1.51 2.44 -0.40 2.22 1.01 -0.55 -4.87 121.20 122.56 1wx9 s ILE 73 Ca 0.02 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1wx9 s ILE 73 Cb -0.18 -2.88 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1wx9 s ILE 73 CO 0.04 0.00 0.15 -1.00 0.00 0.00 0.00 174.94 174.13 1wx9 s HIS 74 N -2.97 2.87 0.15 3.97 3.76 -0.84 -0.56 115.29 121.67 1wx9 s HIS 74 Ca 0.60 -2.70 -0.23 0.00 -0.15 0.00 0.00 55.06 52.59 1wx9 s HIS 74 Cb -0.09 -2.46 -0.08 0.00 1.11 0.00 0.00 32.58 31.06 1wx9 s HIS 74 CO 0.41 -0.85 0.71 -1.17 -0.85 0.00 0.00 174.74 172.99 1wx9 s LEU 75 N 0.61 4.55 0.01 0.89 2.96 -1.23 -0.91 118.68 125.57 1wx9 s LEU 75 Ca 0.14 1.50 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 1wx9 s LEU 75 Cb -0.22 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 1wx9 s LEU 75 CO -0.07 0.21 -0.18 0.68 -1.32 0.00 0.00 176.35 175.66 1wx9 s VAL 76 N -1.18 1.43 -0.12 1.68 -7.23 -1.23 -4.55 120.40 109.20 1wx9 s VAL 76 Ca 0.35 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1wx9 s VAL 76 Cb -0.21 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1wx9 s VAL 76 CO 0.23 0.28 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.53 1wx9 s GLU 77 N -0.76 3.27 -0.44 4.82 2.12 -1.26 -2.53 118.70 123.92 1wx9 s GLU 77 Ca 0.06 -0.57 -0.35 0.00 0.36 0.00 0.00 54.97 54.47 1wx9 s GLU 77 Cb -0.08 -2.73 -0.13 0.00 0.26 0.00 0.00 34.13 31.46 1wx9 s GLU 77 CO 0.00 0.39 2.25 0.54 -0.54 0.00 0.00 175.26 177.90 1wx9 n ARG 78 N 3.06 0.81 -1.34 4.30 1.74 -1.09 -4.40 116.66 119.75 1wx9 n ARG 78 Ca -0.18 0.20 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 1wx9 n ARG 78 Cb 0.53 -2.31 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wx9 n ALA 79 N 10.08 -2.23 -2.38 7.54 0.00 -1.26 -4.71 120.51 127.55 1wx9 n ALA 79 Ca 0.45 0.54 -0.43 0.00 0.00 0.00 0.00 53.44 54.01 1wx9 n ALA 79 Cb 0.20 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 1wx9 n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wx9 s PRO 80 N -4.92 3.90 0.05 0.00 0.04 -1.26 -4.99 135.00 127.81 1wx9 s PRO 80 Ca 0.00 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1wx9 s PRO 80 Cb 0.00 -3.90 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 1wx9 s PRO 80 CO 0.00 -1.14 -0.04 -1.54 0.04 0.00 0.00 177.00 174.32 1wx9 s SER 81 N 2.97 0.58 -0.12 6.66 1.04 -1.26 -5.15 113.70 118.41 1wx9 s SER 81 Ca 0.58 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 1wx9 s SER 81 Cb -0.18 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1wx9 s SER 81 CO 0.24 -0.42 -0.08 -0.83 0.98 0.00 0.00 173.24 173.12 1wx9 s GLY 82 N -2.28 1.64 -1.15 7.32 0.00 -1.26 -5.02 107.32 106.57 1wx9 s GLY 82 Ca -0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 44.72 43.70 1wx9 s GLY 82 CO -0.05 -0.26 2.25 -1.55 0.00 0.00 0.00 173.10 173.49 1wx9 n PRO 83 N 3.22 2.42 -3.08 2.90 -0.04 -1.26 -4.64 135.00 134.52 1wx9 n PRO 83 Ca -0.18 -2.01 -0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1wx9 n PRO 83 Cb 0.53 -2.87 -0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1wx9 n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wx9 n SER 84 N 5.55 -6.70 -3.66 3.54 7.64 -1.26 -4.95 113.62 113.78 1wx9 n SER 84 Ca 0.54 0.70 -0.29 0.00 1.01 0.00 0.00 58.87 60.84 1wx9 n SER 84 Cb 0.30 -2.22 -0.12 0.00 -1.01 0.00 0.00 64.21 61.16 1wx9 n SER 84 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wx9 s SER 85 N -0.84 3.32 0.00 6.43 0.15 -1.26 -5.30 113.70 116.20 1wx9 s SER 85 Ca -0.01 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.69 1wx9 s SER 85 Cb 0.00 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1wx9 s SER 85 CO 0.14 -0.21 0.05 0.61 1.20 0.00 0.00 173.24 175.02