#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 -8.30 -3.52 1.61 7.64 -1.26 -5.07 113.62 104.73 1wx9 n SER 2 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1wx9 n SER 2 Cb 0.00 -4.27 -0.04 0.00 -1.01 0.00 0.00 64.21 58.89 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wx9 s SER 3 N -2.39 -0.83 0.00 6.43 0.15 -1.26 -5.16 113.70 110.65 1wx9 s SER 3 Ca 0.00 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1wx9 s SER 3 Cb 0.00 1.92 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 1wx9 s SER 3 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1wx9 n GLY 4 N 5.13 -0.37 2.06 9.45 0.00 -1.26 -4.98 105.19 115.21 1wx9 n GLY 4 Ca -0.11 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.12 -4.69 1.61 2.88 -1.26 -5.08 113.62 105.95 1wx9 n SER 5 Ca 0.00 0.51 -0.36 0.00 -1.33 0.00 0.00 58.87 57.69 1wx9 n SER 5 Cb 0.00 1.21 -0.09 0.00 -0.75 0.00 0.00 64.21 64.58 1wx9 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wx9 s SER 6 N -4.15 6.18 0.00 -3.46 1.04 -1.26 -5.01 113.70 107.04 1wx9 s SER 6 Ca 0.00 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1wx9 s SER 6 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1wx9 s SER 6 CO 0.00 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1wx9 n GLY 7 N 3.90 -1.93 3.76 7.32 0.00 -1.26 -4.95 105.19 112.03 1wx9 n GLY 7 Ca -0.15 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 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 4.45 0.12 0.99 0.20 -0.32 -4.89 118.68 119.23 1wx9 s LEU 8 Ca 0.00 1.29 -0.11 0.00 0.69 0.00 0.00 54.13 56.00 1wx9 s LEU 8 Cb 0.00 -3.04 -0.06 0.00 -0.43 0.00 0.00 46.19 42.66 1wx9 s LEU 8 CO 0.00 0.10 0.46 -0.70 -0.29 0.00 0.00 176.35 175.92 1wx9 s GLU 9 N -0.32 3.83 -0.09 1.98 2.12 -1.26 -0.70 118.70 124.26 1wx9 s GLU 9 Ca 0.33 0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.89 1wx9 s GLU 9 Cb -0.19 -2.94 0.04 0.00 0.26 0.00 0.00 34.13 31.30 1wx9 s GLU 9 CO 0.20 0.51 0.21 0.08 -0.54 0.00 0.00 175.26 175.72 1wx9 s VAL 10 N -1.47 -0.04 0.41 3.70 1.01 0.51 0.67 120.40 125.19 1wx9 s VAL 10 Ca 0.36 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.56 1wx9 s VAL 10 Cb -0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1wx9 s VAL 10 CO 0.19 0.06 0.36 -0.76 0.00 0.00 0.00 175.10 174.94 1wx9 s LEU 11 N 1.09 3.40 -0.25 3.92 1.02 -1.04 0.16 118.68 126.98 1wx9 s LEU 11 Ca -0.08 -0.74 -0.07 0.00 0.02 0.00 0.00 54.13 53.26 1wx9 s LEU 11 Cb -0.10 -2.04 0.12 0.00 0.02 0.00 0.00 46.19 44.19 1wx9 s LEU 11 CO -0.07 -0.61 0.52 -0.69 0.02 0.00 0.00 176.35 175.52 1wx9 s VAL 12 N -2.46 -0.81 -0.13 -1.59 1.01 -1.09 -3.19 120.40 112.14 1wx9 s VAL 12 Ca 0.47 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1wx9 s VAL 12 Cb -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1wx9 s VAL 12 CO 0.27 0.03 0.02 -0.75 0.00 0.00 0.00 175.10 174.67 1wx9 s LYS 13 N 2.74 3.46 0.44 2.72 2.20 -0.75 -2.75 119.74 127.80 1wx9 s LYS 13 Ca -0.01 -0.39 0.07 0.00 -0.36 0.00 0.00 55.97 55.28 1wx9 s LYS 13 Cb -0.12 -2.98 0.07 0.00 -1.51 0.00 0.00 37.83 33.28 1wx9 s LYS 13 CO -0.16 0.49 0.56 0.25 -0.36 0.00 0.00 175.35 176.13 1wx9 n THR 14 N 2.82 0.00 -1.25 3.43 -2.24 -1.24 -2.78 114.28 113.03 1wx9 n THR 14 Ca -0.18 -1.51 -0.23 0.00 -2.27 0.00 0.00 64.05 59.86 1wx9 n THR 14 Cb 0.53 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 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 6.50 -1.43 3.22 4.77 -1.26 -3.65 117.00 125.15 1wx9 n LEU 15 Ca 0.10 -3.77 -0.05 0.00 -0.03 0.00 0.00 56.01 52.26 1wx9 n LEU 15 Cb 0.46 -1.16 -0.02 0.00 -2.33 0.00 0.00 43.42 40.37 1wx9 n LEU 15 CO 0.29 1.53 0.41 -0.67 -1.33 0.00 0.00 177.39 177.62 1wx9 n ASP 16 N 0.64 -1.04 -3.46 -1.43 -0.08 -1.26 -5.05 116.55 104.87 1wx9 n ASP 16 Ca 0.42 -2.05 -0.33 0.00 -1.51 0.00 0.00 54.79 51.32 1wx9 n ASP 16 Cb 0.57 0.37 0.03 0.00 2.34 0.00 0.00 41.12 44.43 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wx9 n SER 17 N -0.37 -5.76 -3.04 1.67 7.64 -1.24 -4.97 113.62 107.56 1wx9 n SER 17 Ca -0.24 -0.19 -0.07 0.00 1.01 0.00 0.00 58.87 59.38 1wx9 n SER 17 Cb 0.76 -2.20 -0.02 0.00 -1.01 0.00 0.00 64.21 61.74 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wx9 s GLN 18 N -2.85 0.93 0.04 1.43 -0.21 -1.26 -5.01 119.66 112.73 1wx9 s GLN 18 Ca 0.31 -0.93 -0.19 0.00 0.02 0.00 0.00 55.36 54.57 1wx9 s GLN 18 Cb -0.04 -0.25 -0.06 0.00 1.00 0.00 0.00 33.01 33.66 1wx9 s GLN 18 CO 0.86 -1.28 0.54 0.99 -2.12 0.00 0.00 175.29 174.28 1wx9 s THR 19 N 1.13 4.84 0.30 -0.19 2.01 -1.26 -3.61 115.64 118.87 1wx9 s THR 19 Ca 0.25 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.41 1wx9 s THR 19 Cb -0.03 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 1wx9 s THR 19 CO -0.07 0.53 0.07 -0.13 -0.69 0.00 0.00 174.62 174.33 1wx9 s ARG 20 N -0.88 1.57 -0.04 4.92 0.52 -1.11 -4.96 118.95 118.96 1wx9 s ARG 20 Ca 0.28 -1.86 0.06 0.00 -0.52 0.00 0.00 55.73 53.69 1wx9 s ARG 20 Cb -0.19 -0.67 -0.01 0.00 0.52 0.00 0.00 34.95 34.60 1wx9 s ARG 20 CO 0.17 -0.22 -0.21 0.99 0.02 0.00 0.00 175.30 176.05 1wx9 s THR 21 N -3.44 1.75 -0.02 0.02 2.01 -1.26 -2.69 115.64 112.01 1wx9 s THR 21 Ca 0.37 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1wx9 s THR 21 Cb 0.08 -1.48 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 1wx9 s THR 21 CO 0.15 0.49 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.12 1wx9 s PHE 22 N -0.18 0.94 -0.37 4.92 0.08 0.42 -4.95 117.98 118.84 1wx9 s PHE 22 Ca -0.01 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.80 1wx9 s PHE 22 Cb -0.12 -0.64 0.08 0.00 -0.57 0.00 0.00 43.02 41.77 1wx9 s PHE 22 CO 0.02 -0.06 0.14 0.42 -0.10 0.00 0.00 175.22 175.64 1wx9 s ILE 23 N -0.02 3.35 0.25 0.64 -1.09 -1.26 0.19 121.20 123.27 1wx9 s ILE 23 Ca 0.00 -1.71 0.07 0.00 -2.23 0.00 0.00 60.65 56.78 1wx9 s ILE 23 Cb -0.06 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 1wx9 s ILE 23 CO 0.00 -0.46 -0.08 0.68 -1.23 0.00 0.00 174.94 173.86 1wx9 s VAL 24 N 1.23 1.59 -0.07 2.92 -7.23 0.12 -4.85 120.40 114.12 1wx9 s VAL 24 Ca 0.03 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1wx9 s VAL 24 Cb -0.22 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1wx9 s VAL 24 CO -0.02 -0.39 1.40 -0.83 -0.31 0.00 0.00 175.10 174.95 1wx9 s GLY 25 N -3.39 1.74 0.32 2.32 0.00 -1.26 -1.17 107.32 105.88 1wx9 s GLY 25 Ca 0.27 0.74 0.08 0.00 0.00 0.00 0.00 44.72 45.81 1wx9 s GLY 25 CO 0.10 2.60 1.60 0.00 0.00 0.00 0.00 173.10 177.40 1wx9 h ALA 26 N 8.30 1.51 -0.71 3.20 0.00 -1.94 1.47 119.26 131.10 1wx9 h ALA 26 Ca -0.34 0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1wx9 h ALA 26 Cb 1.15 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 1wx9 h ALA 26 CO 0.93 -0.66 0.30 1.96 0.00 0.00 0.00 179.25 181.78 1wx9 h GLN 27 N 0.07 0.46 -5.17 0.00 4.20 -2.01 -3.33 115.11 109.33 1wx9 h GLN 27 Ca 0.67 -0.03 -0.52 0.00 0.06 0.00 0.00 58.65 58.83 1wx9 h GLN 27 Cb 1.51 -0.10 0.16 0.00 0.30 0.00 0.00 27.48 29.34 1wx9 h GLN 27 CO -0.80 0.30 -0.99 -0.12 -0.67 0.00 0.00 178.83 176.55 1wx9 n MET 28 N -4.97 0.00 -3.20 1.46 1.56 0.50 -4.87 117.12 107.61 1wx9 n MET 28 Ca 0.12 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.37 1wx9 n MET 28 Cb 0.35 -0.86 0.00 0.00 2.15 0.00 0.00 33.22 34.86 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 -0.86 5.70 0.10 6.12 4.22 -1.26 -3.73 114.94 125.22 1wx9 s ASN 29 Ca 0.49 -0.38 -0.31 0.00 -2.14 0.00 0.00 52.86 50.53 1wx9 s ASN 29 Cb -0.43 -0.83 -0.13 0.00 1.28 0.00 0.00 41.25 41.15 1wx9 s ASN 29 CO 0.57 -0.65 1.62 0.58 -2.04 0.00 0.00 177.10 177.18 1wx9 h VAL 30 N 0.76 0.30 -0.43 3.54 2.07 0.29 0.38 116.25 123.15 1wx9 h VAL 30 Ca -0.42 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1wx9 h VAL 30 Cb 1.27 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 1wx9 h VAL 30 CO 0.48 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 178.07 1wx9 h LYS 31 N -0.70 -0.30 -0.30 1.57 3.64 -1.69 0.96 116.57 119.75 1wx9 h LYS 31 Ca -0.02 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1wx9 h LYS 31 Cb 0.64 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.45 1wx9 h LYS 31 CO -0.07 -0.20 -0.54 0.93 -2.27 0.00 0.00 179.45 177.29 1wx9 h GLU 32 N -0.31 -0.45 -0.92 1.90 5.08 -1.80 0.88 114.58 118.95 1wx9 h GLU 32 Ca 0.07 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.73 1wx9 h GLU 32 Cb 0.51 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.71 1wx9 h GLU 32 CO -0.57 -0.30 0.25 0.35 -1.00 0.00 0.00 179.01 177.74 1wx9 h PHE 33 N -0.47 0.37 -0.84 4.33 3.57 0.19 1.20 116.94 125.28 1wx9 h PHE 33 Ca 0.06 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1wx9 h PHE 33 Cb 0.63 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1wx9 h PHE 33 CO -0.66 -0.28 0.54 0.87 -2.23 0.00 0.00 178.31 176.55 1wx9 h LYS 34 N 0.16 1.01 -0.12 1.11 1.57 0.16 0.14 116.57 120.60 1wx9 h LYS 34 Ca 0.61 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.23 1wx9 h LYS 34 Cb 1.30 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1wx9 h LYS 34 CO -0.72 0.67 -0.35 0.93 -0.57 0.00 0.00 179.45 179.42 1wx9 h GLU 35 N 1.04 0.24 0.48 3.15 5.08 0.23 1.42 114.58 126.22 1wx9 h GLU 35 Ca 0.34 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1wx9 h GLU 35 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1wx9 h GLU 35 CO -0.12 0.57 -0.23 1.25 -1.00 0.00 0.00 179.01 179.48 1wx9 h HIS 36 N 0.21 -0.59 0.00 4.33 2.76 0.87 -3.18 115.15 119.55 1wx9 h HIS 36 Ca 0.03 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 1wx9 h HIS 36 Cb 0.72 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1wx9 h HIS 36 CO 0.01 -0.28 -0.49 -0.84 -1.30 0.00 0.00 177.93 175.03 1wx9 h ILE 37 N -1.03 1.31 -1.79 6.26 3.07 -0.77 -2.93 117.51 121.63 1wx9 h ILE 37 Ca -0.07 -1.71 0.54 0.00 1.55 0.00 0.00 64.86 65.18 1wx9 h ILE 37 Cb 0.58 1.93 -0.10 0.00 -0.27 0.00 0.00 36.82 38.97 1wx9 h ILE 37 CO 0.11 0.48 1.25 0.00 -1.05 0.00 0.00 178.15 178.94 1wx9 h ALA 38 N 1.51 3.55 0.32 0.16 0.00 0.20 1.28 119.26 126.28 1wx9 h ALA 38 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wx9 h ALA 38 Cb 0.89 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1wx9 h ALA 38 CO 0.06 -2.15 -0.15 0.00 0.00 0.00 0.00 179.25 177.01 1wx9 h ALA 39 N 1.20 -0.43 0.83 0.00 0.00 -1.60 0.56 119.26 119.82 1wx9 h ALA 39 Ca 0.92 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.60 1wx9 h ALA 39 Cb 3.47 0.17 0.01 0.00 0.00 0.00 0.00 17.79 21.44 1wx9 h ALA 39 CO -0.15 -0.49 -0.40 0.77 0.00 0.00 0.00 179.25 178.98 1wx9 h SER 40 N -0.93 -0.94 -0.03 0.00 0.02 0.11 -2.60 113.55 109.18 1wx9 h SER 40 Ca -0.04 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1wx9 h SER 40 Cb 0.52 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1wx9 h SER 40 CO 0.07 -0.60 0.04 -0.37 -1.14 0.00 0.00 176.83 174.83 1wx9 h VAL 41 N -1.27 0.48 -1.55 2.27 -1.51 0.33 -3.45 116.25 111.55 1wx9 h VAL 41 Ca -0.11 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.04 1wx9 h VAL 41 Cb 0.85 0.97 -0.07 0.00 -2.13 0.00 0.00 31.29 30.91 1wx9 h VAL 41 CO 0.19 0.00 -0.35 -0.24 -1.23 0.00 0.00 177.57 175.94 1wx9 n SER 42 N -3.79 -4.78 -4.37 4.19 2.88 0.19 -4.99 113.62 102.95 1wx9 n SER 42 Ca -0.02 0.17 -0.31 0.00 -1.33 0.00 0.00 58.87 57.38 1wx9 n SER 42 Cb 0.13 -3.80 -0.15 0.00 -0.75 0.00 0.00 64.21 59.64 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 -2.69 2.32 0.34 2.46 1.01 -0.66 -4.98 121.20 119.01 1wx9 s ILE 43 Ca 0.00 -1.18 -0.27 0.00 0.00 0.00 0.00 60.65 59.21 1wx9 s ILE 43 Cb 0.00 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.50 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 -0.98 4.39 0.56 2.79 0.04 -1.26 -4.19 135.00 136.34 1wx9 s PRO 44 Ca 0.12 1.64 0.35 0.00 0.04 0.00 0.00 61.00 63.14 1wx9 s PRO 44 Cb -0.10 -2.84 1.90 0.00 0.04 0.00 0.00 34.50 33.49 1wx9 s PRO 44 CO 0.01 0.03 2.06 0.66 0.04 0.00 0.00 177.00 179.80 1wx9 h SER 45 N 3.11 0.00 0.83 6.66 4.64 -1.92 0.42 113.55 127.29 1wx9 h SER 45 Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.64 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 0.64 0.00 -0.98 -0.08 -0.87 0.00 0.00 176.83 175.55 1wx9 h GLU 46 N 0.00 0.08 0.00 4.77 4.81 -1.98 -3.19 114.58 119.07 1wx9 h GLU 46 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1wx9 h GLU 46 Cb 0.13 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1wx9 h GLU 46 CO 0.00 0.99 -1.12 1.63 -0.73 0.00 0.00 179.01 179.77 1wx9 n LYS 47 N -3.48 0.40 -1.69 1.92 5.02 0.87 -4.93 118.16 116.28 1wx9 n LYS 47 Ca -0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 1wx9 n LYS 47 Cb 0.90 -1.64 0.04 0.00 -0.02 0.00 0.00 35.03 34.30 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 -3.27 3.08 -0.47 1.97 -0.21 0.11 -3.19 119.66 117.68 1wx9 s GLN 48 Ca 0.01 0.83 0.04 0.00 0.02 0.00 0.00 55.36 56.26 1wx9 s GLN 48 Cb 0.13 -2.02 0.22 0.00 1.00 0.00 0.00 33.01 32.35 1wx9 s GLN 48 CO 0.81 -0.96 0.89 -2.13 -2.12 0.00 0.00 175.29 171.78 1wx9 n ARG 49 N -3.02 0.53 -1.76 2.91 0.63 -1.14 -4.93 116.66 109.87 1wx9 n ARG 49 Ca 0.07 -1.62 -0.42 0.00 -0.92 0.00 0.00 57.85 54.96 1wx9 n ARG 49 Cb 0.54 -1.14 -0.03 0.00 0.45 0.00 0.00 32.46 32.28 1wx9 n ARG 49 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wx9 s LEU 50 N 0.17 4.39 -0.08 6.15 1.43 -1.26 -3.66 118.68 125.82 1wx9 s LEU 50 Ca 0.30 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 56.14 1wx9 s LEU 50 Cb 0.13 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1wx9 s LEU 50 CO -0.14 -0.97 -0.10 -0.63 0.23 0.00 0.00 176.35 174.75 1wx9 s ILE 51 N 2.24 1.04 -0.17 -0.59 1.01 -0.74 0.71 121.20 124.71 1wx9 s ILE 51 Ca 0.78 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 1wx9 s ILE 51 Cb -0.46 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1wx9 s ILE 51 CO 0.34 0.35 -0.07 -0.47 0.00 0.00 0.00 174.94 175.09 1wx9 s TYR 52 N 1.07 2.93 0.00 3.97 5.04 -0.16 -1.26 117.35 128.94 1wx9 s TYR 52 Ca -0.07 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.94 1wx9 s TYR 52 Cb -0.14 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.20 1wx9 s TYR 52 CO -0.01 -0.26 0.00 1.04 -1.34 0.00 0.00 175.55 174.98 1wx9 n GLN 53 N 3.93 0.00 -0.96 4.97 1.13 -1.26 -1.39 117.38 123.80 1wx9 n GLN 53 Ca -0.18 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.86 1wx9 n GLN 53 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.86 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 0.00 -0.13 2.83 1.08 0.00 -1.26 -5.13 105.19 102.57 1wx9 n GLY 54 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.01 0.07 -0.49 1.61 3.52 -0.49 -5.10 118.95 118.09 1wx9 s ARG 55 Ca 0.01 0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.40 1wx9 s ARG 55 Cb 0.04 -0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.21 1wx9 s ARG 55 CO -0.01 -0.09 1.56 0.54 -0.81 0.00 0.00 175.30 176.50 1wx9 s VAL 56 N 0.61 3.68 -0.28 7.11 0.11 -1.26 -0.99 120.40 129.38 1wx9 s VAL 56 Ca -0.05 0.62 -0.38 0.00 -2.93 0.00 0.00 61.98 59.24 1wx9 s VAL 56 Cb -0.08 -4.14 -0.14 0.00 -1.53 0.00 0.00 36.38 30.50 1wx9 s VAL 56 CO -0.02 -0.87 1.94 0.18 -3.33 0.00 0.00 175.10 173.00 1wx9 n LEU 57 N 10.05 2.42 -4.77 2.54 4.77 0.22 -4.86 117.00 127.37 1wx9 n LEU 57 Ca 0.17 0.82 -0.40 0.00 -0.03 0.00 0.00 56.01 56.57 1wx9 n LEU 57 Cb 0.49 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1wx9 n LEU 57 CO 0.70 -0.48 1.00 -1.10 -1.33 0.00 0.00 177.39 176.19 1wx9 s GLN 58 N 4.65 3.86 0.07 3.23 1.11 -1.26 -4.70 119.66 126.61 1wx9 s GLN 58 Ca 1.02 2.25 -0.34 0.00 0.01 0.00 0.00 55.36 58.31 1wx9 s GLN 58 Cb -0.96 -2.72 -0.19 0.00 -1.01 0.00 0.00 33.01 28.13 1wx9 s GLN 58 CO 0.58 -0.62 1.59 0.38 0.01 0.00 0.00 175.29 177.24 1wx9 h ASP 59 N 2.54 -0.83 -0.82 5.90 2.03 -1.94 -2.16 116.42 121.14 1wx9 h ASP 59 Ca -0.50 0.02 0.17 0.00 -0.73 0.00 0.00 57.03 55.99 1wx9 h ASP 59 Cb 1.25 0.22 -0.06 0.00 -0.83 0.00 0.00 39.33 39.91 1wx9 h ASP 59 CO 0.62 -0.59 0.54 -0.78 -1.03 0.00 0.00 179.24 178.01 1wx9 h ASP 60 N -1.00 0.42 -3.87 4.15 1.82 -1.97 -2.59 116.42 113.38 1wx9 h ASP 60 Ca -0.10 0.03 -0.49 0.00 -0.39 0.00 0.00 57.03 56.08 1wx9 h ASP 60 Cb 0.76 -0.05 0.20 0.00 0.68 0.00 0.00 39.33 40.92 1wx9 h ASP 60 CO 0.17 0.20 0.14 -0.54 -1.61 0.00 0.00 179.24 177.60 1wx9 s LYS 61 N -5.44 0.28 0.21 0.28 -0.14 -0.81 -4.66 119.74 109.46 1wx9 s LYS 61 Ca -0.08 1.26 0.11 0.00 -1.36 0.00 0.00 55.97 55.90 1wx9 s LYS 61 Cb 0.22 -1.66 -0.05 0.00 -1.68 0.00 0.00 37.83 34.66 1wx9 s LYS 61 CO 0.77 -3.04 -0.19 0.15 -0.76 0.00 0.00 175.35 172.28 1wx9 s LYS 62 N -4.58 1.70 0.07 1.68 1.02 -1.26 0.45 119.74 118.81 1wx9 s LYS 62 Ca 0.67 -1.53 -0.37 0.00 0.02 0.00 0.00 55.97 54.76 1wx9 s LYS 62 Cb -0.23 -1.90 -0.20 0.00 -0.52 0.00 0.00 37.83 34.97 1wx9 s LYS 62 CO 0.60 0.39 1.57 -0.07 -0.92 0.00 0.00 175.35 176.93 1wx9 h LEU 63 N 2.87 -1.20 -0.85 3.17 -0.00 -1.77 -2.63 115.31 114.90 1wx9 h LEU 63 Ca -0.45 0.06 0.20 0.00 -0.00 0.00 0.00 57.88 57.69 1wx9 h LEU 63 Cb 1.22 0.34 -0.15 0.00 -0.00 0.00 0.00 40.66 42.06 1wx9 h LEU 63 CO 0.52 -0.77 -0.05 -0.61 -0.00 0.00 0.00 178.44 177.54 1wx9 h GLN 64 N -1.24 0.05 -0.60 1.13 4.15 -1.84 0.31 115.11 117.08 1wx9 h GLN 64 Ca -0.11 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.41 1wx9 h GLN 64 Cb 0.98 -0.01 -0.12 0.00 0.21 0.00 0.00 27.48 28.54 1wx9 h GLN 64 CO 0.14 0.03 -0.31 0.93 -1.93 0.00 0.00 178.83 177.69 1wx9 h GLU 65 N 0.05 -0.14 0.00 1.69 4.39 -1.77 0.58 114.58 119.38 1wx9 h GLU 65 Ca 0.46 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.11 1wx9 h GLU 65 Cb 0.84 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1wx9 h GLU 65 CO -0.79 -0.09 -0.30 1.88 -1.16 0.00 0.00 179.01 178.55 1wx9 h TYR 66 N -0.14 0.00 -1.59 4.33 0.05 -0.28 -3.47 116.97 115.86 1wx9 h TYR 66 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1wx9 h TYR 66 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1wx9 h TYR 66 CO -0.62 0.30 0.00 -1.71 -1.05 0.00 0.00 178.16 175.07 1wx9 n ASN 67 N -3.73 -1.98 -1.71 3.88 5.15 0.20 -4.94 115.26 112.12 1wx9 n ASN 67 Ca -0.01 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.86 1wx9 n ASN 67 Cb 0.40 -0.49 0.15 0.00 -0.53 0.00 0.00 39.78 39.30 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1wx9 n VAL 68 N -1.57 2.29 -2.14 3.44 0.24 -1.18 -4.80 118.33 114.62 1wx9 n VAL 68 Ca 0.00 -1.17 -0.43 0.00 -2.04 0.00 0.00 64.34 60.70 1wx9 n VAL 68 Cb 0.49 -0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 32.25 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 -0.50 0.94 0.00 7.63 0.00 -1.25 -2.34 107.32 111.80 1wx9 s GLY 69 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1wx9 s GLY 69 CO 0.08 3.06 0.00 0.61 0.00 0.00 0.00 173.10 176.85 1wx9 n GLY 70 N 5.24 0.40 3.93 0.20 0.00 0.21 -4.91 105.19 110.26 1wx9 n GLY 70 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.71 1.88 -0.26 1.61 -0.14 -0.99 -4.85 119.74 116.28 1wx9 s LYS 71 Ca 0.00 -0.34 -0.05 0.00 -1.36 0.00 0.00 55.97 54.22 1wx9 s LYS 71 Cb 0.00 -2.12 0.01 0.00 -1.68 0.00 0.00 37.83 34.04 1wx9 s LYS 71 CO 0.00 -1.47 0.02 0.08 -0.76 0.00 0.00 175.35 173.22 1wx9 s VAL 72 N -3.36 3.59 0.58 3.17 1.01 -1.26 -2.49 120.40 121.64 1wx9 s VAL 72 Ca 0.63 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1wx9 s VAL 72 Cb -0.09 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.56 1wx9 s VAL 72 CO 0.46 0.20 0.80 -0.63 0.00 0.00 0.00 175.10 175.93 1wx9 s ILE 73 N 1.46 2.52 -0.38 2.22 1.01 -1.19 -4.85 121.20 121.98 1wx9 s ILE 73 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1wx9 s ILE 73 Cb -0.16 -2.77 0.11 0.00 0.01 0.00 0.00 42.46 39.65 1wx9 s ILE 73 CO -0.00 0.00 0.15 -1.00 0.00 0.00 0.00 174.94 174.08 1wx9 s HIS 74 N -2.78 2.51 0.32 3.97 3.76 -0.39 -1.82 115.29 120.86 1wx9 s HIS 74 Ca 0.60 -2.46 -0.13 0.00 -0.15 0.00 0.00 55.06 52.92 1wx9 s HIS 74 Cb -0.08 -2.22 -0.08 0.00 1.11 0.00 0.00 32.58 31.30 1wx9 s HIS 74 CO 0.39 -0.85 0.71 -1.17 -0.85 0.00 0.00 174.74 172.97 1wx9 s LEU 75 N 0.80 4.05 -0.01 0.89 2.96 -1.12 -1.78 118.68 124.47 1wx9 s LEU 75 Ca 0.13 1.20 -0.03 0.00 -0.22 0.00 0.00 54.13 55.22 1wx9 s LEU 75 Cb -0.21 -4.01 0.00 0.00 0.50 0.00 0.00 46.19 42.47 1wx9 s LEU 75 CO -0.10 -0.21 0.06 0.68 -1.32 0.00 0.00 176.35 175.46 1wx9 s VAL 76 N -2.01 0.03 -0.06 1.68 -7.23 -1.24 -4.63 120.40 106.93 1wx9 s VAL 76 Ca 0.53 -0.26 0.03 0.00 -1.81 0.00 0.00 61.98 60.48 1wx9 s VAL 76 Cb -0.10 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 1wx9 s VAL 76 CO 0.20 -0.14 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.99 1wx9 s GLU 77 N -0.42 2.63 0.83 4.82 2.12 -1.26 -2.90 118.70 124.52 1wx9 s GLU 77 Ca -0.05 -0.72 -0.14 0.00 0.36 0.00 0.00 54.97 54.42 1wx9 s GLU 77 Cb -0.03 -2.39 0.21 0.00 0.26 0.00 0.00 34.13 32.18 1wx9 s GLU 77 CO 0.00 0.53 0.58 0.54 -0.54 0.00 0.00 175.26 176.37 1wx9 n ARG 78 N 2.57 -3.15 -4.38 4.30 1.74 -1.19 -5.06 116.66 111.48 1wx9 n ARG 78 Ca -0.17 -0.95 -0.24 0.00 -0.77 0.00 0.00 57.85 55.71 1wx9 n ARG 78 Cb 0.52 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wx9 s ALA 79 N -2.46 2.28 -0.32 7.54 0.00 -1.26 -5.09 121.76 122.44 1wx9 s ALA 79 Ca 0.41 -1.57 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 1wx9 s ALA 79 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1wx9 s ALA 79 CO 0.33 0.34 1.37 -1.25 0.00 0.00 0.00 175.76 176.55 1wx9 s PRO 80 N -2.72 3.80 0.14 0.00 0.04 -1.26 -4.78 135.00 130.23 1wx9 s PRO 80 Ca 0.18 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1wx9 s PRO 80 Cb -0.07 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1wx9 s PRO 80 CO 0.08 -1.27 0.00 -1.13 0.04 0.00 0.00 177.00 174.72 1wx9 n SER 81 N 8.06 0.57 -3.24 6.66 3.41 -1.26 -5.06 113.62 122.77 1wx9 n SER 81 Ca 0.16 0.22 -0.03 0.00 -0.26 0.00 0.00 58.87 58.95 1wx9 n SER 81 Cb 0.47 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1wx9 n SER 81 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wx9 s GLY 82 N -4.44 -0.89 -0.02 5.00 0.00 -1.26 -5.13 107.32 100.57 1wx9 s GLY 82 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 1wx9 s GLY 82 CO 0.00 3.35 1.21 2.56 0.00 0.00 0.00 173.10 180.22 1wx9 s PRO 83 N 2.47 4.37 -0.45 2.90 0.04 -1.26 -5.00 135.00 138.07 1wx9 s PRO 83 Ca 0.11 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 1wx9 s PRO 83 Cb -0.11 -3.51 0.10 0.00 0.04 0.00 0.00 34.50 31.02 1wx9 s PRO 83 CO -0.23 -0.40 0.32 0.45 0.04 0.00 0.00 177.00 177.17 1wx9 s SER 84 N 1.40 5.73 -0.06 6.66 0.15 -1.26 -5.06 113.70 121.27 1wx9 s SER 84 Ca 0.57 -1.68 -0.30 0.00 0.70 0.00 0.00 55.95 55.24 1wx9 s SER 84 Cb -0.26 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1wx9 s SER 84 CO 0.24 -0.63 1.24 -0.94 1.20 0.00 0.00 173.24 174.35 1wx9 s SER 85 N 2.46 7.01 0.00 5.45 1.04 -1.26 -5.32 113.70 123.08 1wx9 s SER 85 Ca 0.04 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1wx9 s SER 85 Cb -0.25 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.32 1wx9 s SER 85 CO 0.01 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.22