#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 -3.90 -3.92 1.61 3.41 -1.26 -4.98 113.62 104.58 1wx9 n SER 2 Ca 0.00 0.52 -0.21 0.00 -0.26 0.00 0.00 58.87 58.93 1wx9 n SER 2 Cb 0.00 -0.88 -0.16 0.00 -0.26 0.00 0.00 64.21 62.90 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wx9 s SER 3 N -1.07 1.06 -0.30 4.04 0.15 -1.26 -5.12 113.70 111.21 1wx9 s SER 3 Ca 0.54 -0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.98 1wx9 s SER 3 Cb -0.39 -0.51 0.17 0.00 -1.71 0.00 0.00 66.02 63.57 1wx9 s SER 3 CO 0.69 -0.03 0.63 -0.83 1.20 0.00 0.00 173.24 174.90 1wx9 s GLY 4 N 0.84 -0.88 -0.72 9.45 0.00 -1.26 -5.10 107.32 109.64 1wx9 s GLY 4 Ca -0.12 2.07 -0.16 0.00 0.00 0.00 0.00 44.72 46.50 1wx9 s GLY 4 CO 0.01 3.26 0.74 -0.45 0.00 0.00 0.00 173.10 176.66 1wx9 s SER 5 N 2.87 6.47 -0.41 1.64 0.15 -1.26 -4.92 113.70 118.25 1wx9 s SER 5 Ca 0.10 -2.09 0.04 0.00 0.70 0.00 0.00 55.95 54.70 1wx9 s SER 5 Cb -0.14 -2.26 0.17 0.00 -1.71 0.00 0.00 66.02 62.08 1wx9 s SER 5 CO -0.20 -0.84 0.39 -0.55 1.20 0.00 0.00 173.24 173.24 1wx9 s SER 6 N 3.05 1.14 0.24 5.45 0.15 -1.26 -5.12 113.70 117.36 1wx9 s SER 6 Ca 0.15 -2.46 -0.06 0.00 0.70 0.00 0.00 55.95 54.28 1wx9 s SER 6 Cb -0.17 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1wx9 s SER 6 CO -0.03 -0.19 0.42 0.61 1.20 0.00 0.00 173.24 175.25 1wx9 n GLY 7 N 3.29 1.88 3.80 9.45 0.00 -1.26 -4.91 105.19 117.43 1wx9 n GLY 7 Ca 0.22 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 1wx9 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wx9 s LEU 8 N 0.00 4.32 0.07 0.99 0.20 0.39 -4.87 118.68 119.78 1wx9 s LEU 8 Ca 0.14 0.48 -0.22 0.00 0.69 0.00 0.00 54.13 55.22 1wx9 s LEU 8 Cb -0.02 -2.22 -0.06 0.00 -0.43 0.00 0.00 46.19 43.46 1wx9 s LEU 8 CO 0.11 0.26 0.66 -0.70 -0.29 0.00 0.00 176.35 176.39 1wx9 s GLU 9 N -0.29 4.38 -0.02 1.98 2.12 -1.26 -0.39 118.70 125.22 1wx9 s GLU 9 Ca 0.15 0.90 -0.00 0.00 0.36 0.00 0.00 54.97 56.38 1wx9 s GLU 9 Cb -0.13 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.00 1wx9 s GLU 9 CO 0.04 0.50 0.04 0.08 -0.54 0.00 0.00 175.26 175.37 1wx9 s VAL 10 N -0.72 -0.05 0.32 3.70 1.01 0.49 0.65 120.40 125.78 1wx9 s VAL 10 Ca 0.33 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.58 1wx9 s VAL 10 Cb -0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1wx9 s VAL 10 CO 0.21 0.08 0.27 -0.76 0.00 0.00 0.00 175.10 174.90 1wx9 s LEU 11 N 1.01 3.65 -0.20 3.92 1.02 -1.13 0.14 118.68 127.09 1wx9 s LEU 11 Ca -0.08 -0.44 -0.05 0.00 0.02 0.00 0.00 54.13 53.58 1wx9 s LEU 11 Cb -0.12 -2.24 0.10 0.00 0.02 0.00 0.00 46.19 43.95 1wx9 s LEU 11 CO -0.03 -0.28 0.37 -0.69 0.02 0.00 0.00 176.35 175.74 1wx9 s VAL 12 N -2.27 -0.58 -0.32 -1.59 1.01 -0.88 -2.81 120.40 112.96 1wx9 s VAL 12 Ca 0.39 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 1wx9 s VAL 12 Cb -0.06 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.67 1wx9 s VAL 12 CO 0.26 -0.00 0.07 -0.75 0.00 0.00 0.00 175.10 174.68 1wx9 s LYS 13 N 2.55 2.63 0.19 2.72 2.20 -0.66 -1.45 119.74 127.93 1wx9 s LYS 13 Ca 0.04 -1.16 -0.03 0.00 -0.36 0.00 0.00 55.97 54.46 1wx9 s LYS 13 Cb -0.13 -3.37 0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1wx9 s LYS 13 CO -0.13 -0.62 0.21 0.25 -0.36 0.00 0.00 175.35 174.70 1wx9 n THR 14 N 4.77 0.00 -1.88 3.43 -2.24 -1.18 -3.61 114.28 113.57 1wx9 n THR 14 Ca -0.13 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 1wx9 n THR 14 Cb 0.45 -1.54 -0.01 0.00 -2.10 0.00 0.00 70.33 67.13 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 8.06 -1.27 3.22 4.32 -1.26 -3.68 117.00 126.39 1wx9 n LEU 15 Ca 0.03 -4.75 -0.01 0.00 -0.02 0.00 0.00 56.01 51.26 1wx9 n LEU 15 Cb 0.10 -1.42 0.01 0.00 -1.62 0.00 0.00 43.42 40.49 1wx9 n LEU 15 CO 0.07 1.99 0.23 -0.67 -1.22 0.00 0.00 177.39 177.79 1wx9 n ASP 16 N 2.38 -0.32 -3.77 -1.43 2.03 -1.26 -5.02 116.55 109.15 1wx9 n ASP 16 Ca 0.64 -0.95 -0.26 0.00 0.52 0.00 0.00 54.79 54.73 1wx9 n ASP 16 Cb 0.26 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.22 -4.35 -3.39 1.67 2.88 -1.24 -4.94 113.62 104.03 1wx9 n SER 17 Ca -0.06 -0.97 -0.21 0.00 -1.33 0.00 0.00 58.87 56.31 1wx9 n SER 17 Cb 0.49 -1.48 -0.09 0.00 -0.75 0.00 0.00 64.21 62.38 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 -5.15 0.62 0.21 -1.46 -0.21 -1.26 -5.01 119.66 107.39 1wx9 s GLN 18 Ca 0.07 -1.03 -0.19 0.00 0.02 0.00 0.00 55.36 54.22 1wx9 s GLN 18 Cb -0.04 -0.91 -0.08 0.00 1.00 0.00 0.00 33.01 32.98 1wx9 s GLN 18 CO 0.85 -1.21 0.71 0.99 -2.12 0.00 0.00 175.29 174.51 1wx9 s THR 19 N 1.29 4.59 -0.10 -0.19 2.01 -1.25 -3.11 115.64 118.87 1wx9 s THR 19 Ca 0.18 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.41 1wx9 s THR 19 Cb -0.18 -3.85 0.04 0.00 0.01 0.00 0.00 72.50 68.52 1wx9 s THR 19 CO -0.01 0.22 0.01 -0.13 -0.69 0.00 0.00 174.62 174.02 1wx9 s ARG 20 N -1.95 0.58 0.12 4.92 0.52 -0.53 -4.91 118.95 117.71 1wx9 s ARG 20 Ca 0.42 -0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.31 1wx9 s ARG 20 Cb -0.17 -1.27 -0.06 0.00 0.52 0.00 0.00 34.95 33.97 1wx9 s ARG 20 CO 0.21 -0.40 1.02 0.99 0.02 0.00 0.00 175.30 177.14 1wx9 s THR 21 N 1.96 4.31 -0.00 0.02 2.01 -1.26 -2.07 115.64 120.61 1wx9 s THR 21 Ca 0.03 1.90 0.03 0.00 0.31 0.00 0.00 61.69 63.96 1wx9 s THR 21 Cb -0.14 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 1wx9 s THR 21 CO -0.06 0.28 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.70 1wx9 s PHE 22 N 0.07 0.80 -0.36 4.92 0.08 0.38 -4.95 117.98 118.91 1wx9 s PHE 22 Ca 0.49 -0.17 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 1wx9 s PHE 22 Cb -0.25 -0.51 0.08 0.00 -0.57 0.00 0.00 43.02 41.77 1wx9 s PHE 22 CO 0.31 -0.01 0.12 0.42 -0.10 0.00 0.00 175.22 175.96 1wx9 s ILE 23 N -0.28 3.17 0.25 0.64 -1.09 -1.26 0.18 121.20 122.81 1wx9 s ILE 23 Ca 0.03 -1.77 0.06 0.00 -2.23 0.00 0.00 60.65 56.74 1wx9 s ILE 23 Cb -0.04 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 1wx9 s ILE 23 CO -0.00 -0.45 -0.07 0.68 -1.23 0.00 0.00 174.94 173.86 1wx9 s VAL 24 N 1.19 1.55 -0.08 2.92 -7.23 0.47 -4.87 120.40 114.34 1wx9 s VAL 24 Ca 0.03 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 1wx9 s VAL 24 Cb -0.21 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1wx9 s VAL 24 CO -0.03 -0.40 1.43 -0.83 -0.31 0.00 0.00 175.10 174.96 1wx9 s GLY 25 N -3.38 1.67 0.27 2.32 0.00 -1.26 0.15 107.32 107.10 1wx9 s GLY 25 Ca 0.27 0.73 -0.09 0.00 0.00 0.00 0.00 44.72 45.63 1wx9 s GLY 25 CO 0.10 2.68 1.56 0.00 0.00 0.00 0.00 173.10 177.44 1wx9 h ALA 26 N 8.54 0.61 -0.90 3.20 0.00 -1.91 1.44 119.26 130.24 1wx9 h ALA 26 Ca -0.34 0.37 0.25 0.00 0.00 0.00 0.00 54.91 55.19 1wx9 h ALA 26 Cb 1.15 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 19.55 1wx9 h ALA 26 CO 0.94 -0.40 0.30 1.96 0.00 0.00 0.00 179.25 182.06 1wx9 h GLN 27 N -0.00 0.23 -5.08 0.00 1.08 -2.01 -3.35 115.11 105.98 1wx9 h GLN 27 Ca 0.46 -0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 57.14 1wx9 h GLN 27 Cb 0.70 -0.05 0.16 0.00 -0.05 0.00 0.00 27.48 28.24 1wx9 h GLN 27 CO -1.00 0.15 -1.03 -0.12 -0.95 0.00 0.00 178.83 175.88 1wx9 n MET 28 N -5.19 0.00 -3.75 1.46 1.56 0.49 -4.87 117.12 106.83 1wx9 n MET 28 Ca 0.23 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.46 1wx9 n MET 28 Cb 0.74 -0.85 -0.02 0.00 2.15 0.00 0.00 33.22 35.24 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 -0.85 5.68 0.15 6.12 4.22 -1.26 -3.77 114.94 125.22 1wx9 s ASN 29 Ca 0.47 -0.29 -0.24 0.00 -2.14 0.00 0.00 52.86 50.66 1wx9 s ASN 29 Cb -0.40 -1.22 0.01 0.00 1.28 0.00 0.00 41.25 40.93 1wx9 s ASN 29 CO 0.57 -0.31 1.62 0.58 -2.04 0.00 0.00 177.10 177.52 1wx9 h VAL 30 N 1.14 0.33 -0.15 3.54 2.07 0.42 0.14 116.25 123.75 1wx9 h VAL 30 Ca -0.46 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1wx9 h VAL 30 Cb 1.25 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1wx9 h VAL 30 CO 0.57 0.00 -0.40 0.50 0.02 0.00 0.00 177.57 178.26 1wx9 h LYS 31 N -0.31 -0.38 -0.52 1.57 3.64 -1.70 0.28 116.57 119.15 1wx9 h LYS 31 Ca 0.12 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1wx9 h LYS 31 Cb 0.50 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 1wx9 h LYS 31 CO -0.39 -0.25 -0.47 0.93 -2.27 0.00 0.00 179.45 176.99 1wx9 h GLU 32 N -0.39 -0.27 -1.04 1.90 5.08 -1.72 0.43 114.58 118.57 1wx9 h GLU 32 Ca 0.03 0.02 0.31 0.00 -1.00 0.00 0.00 59.36 58.71 1wx9 h GLU 32 Cb 0.48 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.66 1wx9 h GLU 32 CO -0.35 -0.18 0.62 0.35 -1.00 0.00 0.00 179.01 178.45 1wx9 h PHE 33 N -0.28 0.87 -0.22 4.33 3.57 0.06 0.58 116.94 125.85 1wx9 h PHE 33 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1wx9 h PHE 33 Cb 0.57 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1wx9 h PHE 33 CO -0.71 -0.08 0.04 0.87 -2.23 0.00 0.00 178.31 176.19 1wx9 h LYS 34 N 0.38 0.37 -0.42 1.11 1.57 0.19 -0.77 116.57 119.00 1wx9 h LYS 34 Ca 0.70 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.39 1wx9 h LYS 34 Cb 1.62 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1wx9 h LYS 34 CO -0.50 0.51 0.28 0.93 -0.57 0.00 0.00 179.45 180.09 1wx9 h GLU 35 N 0.17 0.53 0.48 3.15 5.08 0.15 1.47 114.58 125.61 1wx9 h GLU 35 Ca 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1wx9 h GLU 35 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1wx9 h GLU 35 CO 0.00 0.35 -0.23 1.25 -1.00 0.00 0.00 179.01 179.39 1wx9 h HIS 36 N 0.55 -0.60 0.00 4.33 2.76 -0.36 -3.12 115.15 118.71 1wx9 h HIS 36 Ca 0.16 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1wx9 h HIS 36 Cb -0.04 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 1wx9 h HIS 36 CO -0.00 -0.37 -0.08 -0.84 -1.30 0.00 0.00 177.93 175.34 1wx9 h ILE 37 N -0.93 0.89 -1.23 6.26 3.07 -0.97 -2.24 117.51 122.36 1wx9 h ILE 37 Ca -0.07 -0.28 0.45 0.00 1.55 0.00 0.00 64.86 66.51 1wx9 h ILE 37 Cb 0.49 1.16 -0.15 0.00 -0.27 0.00 0.00 36.82 38.05 1wx9 h ILE 37 CO 0.11 0.08 0.75 0.00 -1.05 0.00 0.00 178.15 178.04 1wx9 h ALA 38 N 1.92 2.56 0.56 0.16 0.00 0.21 1.10 119.26 125.77 1wx9 h ALA 38 Ca -0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1wx9 h ALA 38 Cb 0.15 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wx9 h ALA 38 CO 0.01 -1.28 -0.27 0.00 0.00 0.00 0.00 179.25 177.71 1wx9 h ALA 39 N 1.75 -1.01 0.64 0.00 0.00 -1.49 1.29 119.26 120.44 1wx9 h ALA 39 Ca 0.86 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 1wx9 h ALA 39 Cb 2.56 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 20.64 1wx9 h ALA 39 CO -0.57 -0.96 -0.39 0.77 0.00 0.00 0.00 179.25 178.10 1wx9 h SER 40 N -0.87 -1.00 -0.53 0.00 0.02 -0.40 -1.98 113.55 108.79 1wx9 h SER 40 Ca -0.08 0.05 0.14 0.00 -0.84 0.00 0.00 61.79 61.07 1wx9 h SER 40 Cb 0.57 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1wx9 h SER 40 CO 0.13 -0.61 0.38 -0.37 -1.14 0.00 0.00 176.83 175.22 1wx9 h VAL 41 N -0.97 0.76 -0.56 2.27 -1.51 0.87 -3.45 116.25 113.67 1wx9 h VAL 41 Ca -0.09 -0.02 -0.24 0.00 -1.23 0.00 0.00 66.70 65.13 1wx9 h VAL 41 Cb 0.78 0.70 -0.09 0.00 -2.13 0.00 0.00 31.29 30.54 1wx9 h VAL 41 CO 0.09 0.01 -0.22 -0.24 -1.23 0.00 0.00 177.57 175.98 1wx9 n SER 42 N -4.40 -4.48 -4.48 4.19 2.88 0.44 -4.99 113.62 102.77 1wx9 n SER 42 Ca 0.10 0.29 -0.32 0.00 -1.33 0.00 0.00 58.87 57.61 1wx9 n SER 42 Cb 0.57 -3.01 -0.13 0.00 -0.75 0.00 0.00 64.21 60.89 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 -2.41 3.00 0.34 2.46 1.01 -0.85 -4.98 121.20 119.78 1wx9 s ILE 43 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 1wx9 s ILE 43 Cb 0.00 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 40.16 1wx9 s ILE 43 CO 0.00 0.47 1.07 -2.16 0.00 0.00 0.00 174.94 174.32 1wx9 s PRO 44 N -1.08 4.41 0.66 2.79 0.04 -1.26 -4.26 135.00 136.29 1wx9 s PRO 44 Ca 0.13 1.65 0.37 0.00 0.04 0.00 0.00 61.00 63.19 1wx9 s PRO 44 Cb -0.11 -2.87 2.01 0.00 0.04 0.00 0.00 34.50 33.57 1wx9 s PRO 44 CO 0.03 0.05 2.13 0.66 0.04 0.00 0.00 177.00 179.91 1wx9 h SER 45 N 3.17 0.00 0.78 6.66 4.64 -1.92 0.54 113.55 127.42 1wx9 h SER 45 Ca -0.47 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.68 1wx9 h SER 45 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1wx9 h SER 45 CO 0.65 0.00 -0.80 -0.08 -0.87 0.00 0.00 176.83 175.73 1wx9 h GLU 46 N 0.00 0.01 0.00 4.77 4.81 -1.99 -3.10 114.58 119.08 1wx9 h GLU 46 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1wx9 h GLU 46 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1wx9 h GLU 46 CO 0.00 0.80 -1.16 1.63 -0.73 0.00 0.00 179.01 179.55 1wx9 n LYS 47 N -3.60 0.36 -1.88 1.92 5.02 0.15 -4.93 118.16 115.20 1wx9 n LYS 47 Ca -0.01 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1wx9 n LYS 47 Cb 0.77 -1.60 0.08 0.00 -0.02 0.00 0.00 35.03 34.25 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 -3.25 2.13 -0.31 1.97 -0.21 0.67 -2.41 119.66 118.26 1wx9 s GLN 48 Ca 0.02 0.19 -0.07 0.00 0.02 0.00 0.00 55.36 55.52 1wx9 s GLN 48 Cb 0.14 -1.96 0.24 0.00 1.00 0.00 0.00 33.01 32.43 1wx9 s GLN 48 CO 0.82 -1.50 1.21 -2.13 -2.12 0.00 0.00 175.29 171.57 1wx9 n ARG 49 N -3.27 0.04 -1.69 2.91 0.63 -1.20 -4.94 116.66 109.15 1wx9 n ARG 49 Ca 0.08 -0.58 -0.43 0.00 -0.92 0.00 0.00 57.85 55.99 1wx9 n ARG 49 Cb 0.60 0.20 -0.01 0.00 0.45 0.00 0.00 32.46 33.70 1wx9 n ARG 49 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1wx9 n LEU 50 N 2.14 3.34 -3.77 6.15 4.77 -1.26 -3.87 117.00 124.49 1wx9 n LEU 50 Ca 0.07 1.19 -0.18 0.00 -0.03 0.00 0.00 56.01 57.05 1wx9 n LEU 50 Cb 0.68 -1.46 -0.17 0.00 -2.33 0.00 0.00 43.42 40.15 1wx9 n LEU 50 CO -0.14 -0.53 -0.36 -0.63 -1.33 0.00 0.00 177.39 174.40 1wx9 s ILE 51 N -0.79 0.09 -0.21 -0.08 1.01 -0.40 -1.13 121.20 119.70 1wx9 s ILE 51 Ca 0.59 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.40 1wx9 s ILE 51 Cb -0.60 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 1wx9 s ILE 51 CO 0.58 0.16 -0.04 -0.47 0.00 0.00 0.00 174.94 175.17 1wx9 s TYR 52 N 1.41 2.96 0.00 3.97 5.04 -0.22 -0.92 117.35 129.59 1wx9 s TYR 52 Ca -0.04 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 53.81 1wx9 s TYR 52 Cb -0.13 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1wx9 s TYR 52 CO -0.03 -0.43 0.00 1.04 -1.34 0.00 0.00 175.55 174.79 1wx9 n GLN 53 N 4.52 0.00 -0.99 4.97 6.02 -1.26 -1.57 117.38 129.07 1wx9 n GLN 53 Ca -0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.79 1wx9 n GLN 53 Cb 0.51 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.77 1wx9 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wx9 n GLY 54 N 0.00 -0.11 2.90 1.08 0.00 -1.26 -5.13 105.19 102.66 1wx9 n GLY 54 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1wx9 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wx9 s ARG 55 N 0.01 0.35 -0.43 1.61 0.52 -0.61 -5.11 118.95 115.28 1wx9 s ARG 55 Ca 0.01 -0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.86 1wx9 s ARG 55 Cb 0.04 -0.39 0.03 0.00 0.52 0.00 0.00 34.95 35.14 1wx9 s ARG 55 CO -0.01 0.01 1.10 0.08 0.02 0.00 0.00 175.30 176.50 1wx9 s VAL 56 N 0.31 4.31 0.12 3.52 1.01 -1.26 -1.06 120.40 127.35 1wx9 s VAL 56 Ca -0.03 1.32 -0.32 0.00 0.00 0.00 0.00 61.98 62.95 1wx9 s VAL 56 Cb -0.06 -4.54 -0.11 0.00 0.00 0.00 0.00 36.38 31.67 1wx9 s VAL 56 CO -0.01 -0.85 1.80 0.18 0.00 0.00 0.00 175.10 176.22 1wx9 n LEU 57 N 7.53 3.88 -4.77 3.92 4.77 -0.29 -4.93 117.00 127.12 1wx9 n LEU 57 Ca 0.11 1.00 -0.38 0.00 -0.03 0.00 0.00 56.01 56.72 1wx9 n LEU 57 Cb 0.48 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.04 1wx9 n LEU 57 CO 0.68 0.10 0.84 -1.58 -1.33 0.00 0.00 177.39 176.10 1wx9 s GLN 58 N 2.46 3.98 0.05 3.23 -0.44 -1.26 -4.72 119.66 122.95 1wx9 s GLN 58 Ca 0.82 1.83 -0.29 0.00 -2.50 0.00 0.00 55.36 55.21 1wx9 s GLN 58 Cb -0.52 -2.61 -0.18 0.00 -1.64 0.00 0.00 33.01 28.06 1wx9 s GLN 58 CO 0.38 -0.38 1.50 0.38 0.50 0.00 0.00 175.29 177.66 1wx9 h ASP 59 N 2.48 -0.58 -0.46 6.67 3.04 -1.94 -2.12 116.42 123.51 1wx9 h ASP 59 Ca -0.49 -0.03 0.13 0.00 -3.24 0.00 0.00 57.03 53.41 1wx9 h ASP 59 Cb 1.24 0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 39.66 1wx9 h ASP 59 CO 0.62 -0.34 0.35 -0.78 -2.04 0.00 0.00 179.24 177.05 1wx9 h ASP 60 N -0.80 0.00 -4.09 4.15 3.58 -1.97 -2.72 116.42 114.56 1wx9 h ASP 60 Ca -0.07 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.89 1wx9 h ASP 60 Cb 0.58 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.79 1wx9 h ASP 60 CO 0.12 0.00 0.24 -0.54 -2.88 0.00 0.00 179.24 176.18 1wx9 s LYS 61 N -4.97 1.26 0.22 0.28 -0.14 -0.80 -4.73 119.74 110.87 1wx9 s LYS 61 Ca -0.05 1.04 0.11 0.00 -1.36 0.00 0.00 55.97 55.71 1wx9 s LYS 61 Cb 0.19 -1.79 -0.05 0.00 -1.68 0.00 0.00 37.83 34.50 1wx9 s LYS 61 CO 0.70 -2.30 -0.18 0.15 -0.76 0.00 0.00 175.35 172.96 1wx9 s LYS 62 N -4.83 1.73 0.07 1.68 1.02 -1.26 0.65 119.74 118.80 1wx9 s LYS 62 Ca 0.64 -1.53 -0.36 0.00 0.02 0.00 0.00 55.97 54.74 1wx9 s LYS 62 Cb -0.19 -1.91 -0.19 0.00 -0.52 0.00 0.00 37.83 35.01 1wx9 s LYS 62 CO 0.58 0.39 1.59 -0.07 -0.92 0.00 0.00 175.35 176.91 1wx9 h LEU 63 N 2.79 -1.08 -0.97 3.17 -0.00 -1.77 -2.33 115.31 115.12 1wx9 h LEU 63 Ca -0.45 0.05 0.31 0.00 -0.00 0.00 0.00 57.88 57.80 1wx9 h LEU 63 Cb 1.22 0.30 -0.15 0.00 -0.00 0.00 0.00 40.66 42.03 1wx9 h LEU 63 CO 0.53 -0.71 0.45 -0.61 -0.00 0.00 0.00 178.44 178.10 1wx9 h GLN 64 N -1.15 0.22 -0.46 1.13 4.15 -1.84 0.60 115.11 117.76 1wx9 h GLN 64 Ca -0.11 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.39 1wx9 h GLN 64 Cb 0.90 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.46 1wx9 h GLN 64 CO 0.14 0.15 -0.08 0.93 -1.93 0.00 0.00 178.83 178.04 1wx9 h GLU 65 N 0.23 0.03 0.00 1.69 4.39 -1.74 0.38 114.58 119.56 1wx9 h GLU 65 Ca 0.70 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.39 1wx9 h GLU 65 Cb 1.59 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 1wx9 h GLU 65 CO -0.66 0.02 0.00 0.66 -1.16 0.00 0.00 179.01 177.87 1wx9 n TYR 66 N -5.30 0.37 -3.10 4.33 4.01 0.19 -4.92 117.16 112.74 1wx9 n TYR 66 Ca 0.04 0.12 -0.13 0.00 -0.16 0.00 0.00 57.90 57.76 1wx9 n TYR 66 Cb 0.25 -0.69 0.07 0.00 -0.31 0.00 0.00 39.34 38.66 1wx9 n TYR 66 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1wx9 n ASN 67 N -1.81 -2.69 -1.89 7.72 4.13 0.13 -4.90 115.26 115.95 1wx9 n ASN 67 Ca 0.05 -0.51 -0.09 0.00 1.68 0.00 0.00 54.58 55.72 1wx9 n ASN 67 Cb 0.33 -4.20 0.24 0.00 -1.54 0.00 0.00 39.78 34.61 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1wx9 n VAL 68 N -3.38 2.65 -2.11 2.41 0.24 -1.19 -4.79 118.33 112.16 1wx9 n VAL 68 Ca -0.20 -1.44 -0.41 0.00 -2.04 0.00 0.00 64.34 60.25 1wx9 n VAL 68 Cb 0.63 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 1wx9 n VAL 68 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wx9 s GLY 69 N -0.83 0.56 0.00 7.63 0.00 -1.25 -2.41 107.32 111.02 1wx9 s GLY 69 Ca 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1wx9 s GLY 69 CO 0.11 3.23 0.00 0.61 0.00 0.00 0.00 173.10 177.05 1wx9 n GLY 70 N 5.50 2.75 3.68 0.20 0.00 0.21 -4.91 105.19 112.62 1wx9 n GLY 70 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 0.77 -0.31 1.61 -0.14 -1.01 -4.75 119.74 115.58 1wx9 s LYS 71 Ca 0.00 0.78 -0.08 0.00 -1.36 0.00 0.00 55.97 55.31 1wx9 s LYS 71 Cb 0.00 -1.76 0.01 0.00 -1.68 0.00 0.00 37.83 34.40 1wx9 s LYS 71 CO 0.00 -2.57 0.11 0.08 -0.76 0.00 0.00 175.35 172.22 1wx9 s VAL 72 N -2.87 4.18 0.60 3.17 1.01 -1.26 -2.82 120.40 122.41 1wx9 s VAL 72 Ca 0.65 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1wx9 s VAL 72 Cb -0.19 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1wx9 s VAL 72 CO 0.58 0.02 0.85 -0.63 0.00 0.00 0.00 175.10 175.92 1wx9 s ILE 73 N 1.53 2.53 -0.39 2.22 1.01 -1.12 -4.86 121.20 122.11 1wx9 s ILE 73 Ca 0.03 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1wx9 s ILE 73 Cb -0.18 -2.99 0.11 0.00 0.01 0.00 0.00 42.46 39.42 1wx9 s ILE 73 CO 0.04 0.00 0.14 -1.00 0.00 0.00 0.00 174.94 174.12 1wx9 s HIS 74 N -2.92 3.02 0.46 3.97 3.76 -0.10 -1.65 115.29 121.83 1wx9 s HIS 74 Ca 0.58 -2.75 -0.16 0.00 -0.15 0.00 0.00 55.06 52.58 1wx9 s HIS 74 Cb -0.10 -2.55 -0.08 0.00 1.11 0.00 0.00 32.58 30.96 1wx9 s HIS 74 CO 0.40 -0.86 0.92 -1.17 -0.85 0.00 0.00 174.74 173.18 1wx9 s LEU 75 N 0.65 3.75 0.01 0.89 2.96 -1.24 -1.27 118.68 124.43 1wx9 s LEU 75 Ca 0.13 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.53 1wx9 s LEU 75 Cb -0.21 -4.38 -0.01 0.00 0.50 0.00 0.00 46.19 42.09 1wx9 s LEU 75 CO -0.08 -0.48 -0.03 0.68 -1.32 0.00 0.00 176.35 175.12 1wx9 s VAL 76 N -2.45 0.19 -0.11 1.68 -7.23 -1.25 -4.51 120.40 106.72 1wx9 s VAL 76 Ca 0.57 -0.41 0.03 0.00 -1.81 0.00 0.00 61.98 60.36 1wx9 s VAL 76 Cb -0.10 -0.23 -0.00 0.00 0.56 0.00 0.00 36.38 36.61 1wx9 s VAL 76 CO 0.27 -0.15 -0.22 -0.70 -0.31 0.00 0.00 175.10 174.00 1wx9 s GLU 77 N -0.59 3.11 0.83 4.82 2.12 -1.26 -3.21 118.70 124.52 1wx9 s GLU 77 Ca -0.05 -0.84 -0.11 0.00 0.36 0.00 0.00 54.97 54.34 1wx9 s GLU 77 Cb -0.04 -2.37 0.09 0.00 0.26 0.00 0.00 34.13 32.06 1wx9 s GLU 77 CO -0.00 0.17 1.10 0.50 -0.54 0.00 0.00 175.26 176.49 1wx9 s ARG 78 N 0.38 1.79 0.24 4.30 3.52 -1.01 -5.05 118.95 123.13 1wx9 s ARG 78 Ca -0.17 1.18 0.07 0.00 -0.13 0.00 0.00 55.73 56.68 1wx9 s ARG 78 Cb -0.17 -1.84 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 1wx9 s ARG 78 CO 0.08 -1.97 0.22 0.00 -0.81 0.00 0.00 175.30 172.81 1wx9 s ALA 79 N -2.85 3.65 -0.64 6.12 0.00 -1.26 -5.04 121.76 121.73 1wx9 s ALA 79 Ca 0.63 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 1wx9 s ALA 79 Cb -0.19 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1wx9 s ALA 79 CO 0.57 0.27 1.54 -1.25 0.00 0.00 0.00 175.76 176.89 1wx9 s PRO 80 N -3.82 3.00 -0.42 0.00 0.04 -1.26 -4.92 135.00 127.62 1wx9 s PRO 80 Ca 0.33 0.27 -0.33 0.00 0.04 0.00 0.00 61.00 61.30 1wx9 s PRO 80 Cb -0.08 -4.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.09 1wx9 s PRO 80 CO 0.26 -2.32 2.27 0.45 0.04 0.00 0.00 177.00 177.69 1wx9 n SER 81 N 10.74 2.03 0.00 6.66 2.88 -1.26 -4.38 113.62 130.29 1wx9 n SER 81 Ca 0.12 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1wx9 n SER 81 Cb 0.50 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1wx9 n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx9 n GLY 82 N 6.44 0.99 2.53 0.46 0.00 -1.26 -3.48 105.19 110.86 1wx9 n GLY 82 Ca 0.43 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1wx9 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wx9 n PRO 83 N 1.47 2.72 -2.45 1.61 -0.04 -1.26 -4.90 135.00 132.15 1wx9 n PRO 83 Ca 0.00 -1.82 -0.42 0.00 -0.04 0.00 0.00 63.50 61.22 1wx9 n PRO 83 Cb 0.00 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 1wx9 n PRO 83 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wx9 s SER 84 N 3.00 7.07 0.05 3.54 0.01 -1.23 -4.53 113.70 121.62 1wx9 s SER 84 Ca 0.53 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.68 1wx9 s SER 84 Cb 0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wx9 s SER 84 CO -0.04 -0.53 0.00 -1.20 0.41 0.00 0.00 173.24 171.88 1wx9 n SER 85 N 4.66 -9.54 0.00 2.44 7.64 -1.26 -4.99 113.62 112.56 1wx9 n SER 85 Ca 0.10 1.80 0.00 0.00 1.01 0.00 0.00 58.87 61.78 1wx9 n SER 85 Cb 0.46 -5.22 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64