#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 -8.15 0.14 1.61 7.64 -1.26 -5.02 113.62 108.58 1wx9 n SER 2 Ca 0.00 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1wx9 n SER 2 Cb 0.00 -5.04 0.00 0.00 -1.01 0.00 0.00 64.21 58.16 1wx9 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wx9 n SER 3 N -4.40 -0.69 0.00 6.43 7.64 -1.26 -5.17 113.62 116.17 1wx9 n SER 3 Ca -0.09 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wx9 n SER 3 Cb 0.70 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 1wx9 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx9 n GLY 4 N 1.06 1.30 0.07 0.23 0.00 -1.26 -4.99 105.19 101.59 1wx9 n GLY 4 Ca 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 1wx9 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wx9 h SER 5 N 0.00 0.00 -3.16 1.61 0.87 -2.05 -3.46 113.55 107.36 1wx9 h SER 5 Ca 0.00 -0.13 -0.52 0.00 -1.23 0.00 0.00 61.79 59.91 1wx9 h SER 5 Cb 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.56 1wx9 h SER 5 CO 0.00 0.81 -0.76 -0.44 -0.53 0.00 0.00 176.83 175.91 1wx9 s SER 6 N -5.88 3.04 0.24 6.23 0.01 -1.26 -5.13 113.70 110.96 1wx9 s SER 6 Ca -0.13 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 56.20 1wx9 s SER 6 Cb 0.02 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.65 1wx9 s SER 6 CO 0.24 -0.34 0.04 -0.83 0.41 0.00 0.00 173.24 172.76 1wx9 s GLY 7 N 1.90 1.63 -0.14 3.44 0.00 -1.26 -4.95 107.32 107.94 1wx9 s GLY 7 Ca 0.02 -1.81 -0.14 0.00 0.00 0.00 0.00 44.72 42.79 1wx9 s GLY 7 CO -0.14 -1.64 0.30 -2.27 0.00 0.00 0.00 173.10 169.36 1wx9 s LEU 8 N -3.31 4.28 0.11 0.66 0.20 -0.54 -4.94 118.68 115.14 1wx9 s LEU 8 Ca 0.32 0.56 -0.10 0.00 0.69 0.00 0.00 54.13 55.60 1wx9 s LEU 8 Cb 0.07 -2.39 -0.06 0.00 -0.43 0.00 0.00 46.19 43.38 1wx9 s LEU 8 CO 0.11 0.14 0.45 -0.70 -0.29 0.00 0.00 176.35 176.05 1wx9 s GLU 9 N 0.22 3.80 -0.08 1.98 2.12 -1.26 -0.89 118.70 124.60 1wx9 s GLU 9 Ca 0.17 0.24 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 1wx9 s GLU 9 Cb -0.13 -2.94 0.04 0.00 0.26 0.00 0.00 34.13 31.36 1wx9 s GLU 9 CO 0.05 0.51 0.19 0.08 -0.54 0.00 0.00 175.26 175.55 1wx9 s VAL 10 N -1.47 -0.05 0.40 3.70 1.01 0.44 0.15 120.40 124.57 1wx9 s VAL 10 Ca 0.36 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1wx9 s VAL 10 Cb -0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 1wx9 s VAL 10 CO 0.19 0.07 0.48 -0.76 0.00 0.00 0.00 175.10 175.09 1wx9 s LEU 11 N 1.24 3.63 -0.26 3.92 1.02 -0.71 0.13 118.68 127.65 1wx9 s LEU 11 Ca -0.09 -0.48 -0.06 0.00 0.02 0.00 0.00 54.13 53.52 1wx9 s LEU 11 Cb -0.11 -2.48 0.13 0.00 0.02 0.00 0.00 46.19 43.76 1wx9 s LEU 11 CO -0.07 -0.66 0.53 -0.69 0.02 0.00 0.00 176.35 175.49 1wx9 s VAL 12 N -2.36 -0.85 -0.22 -1.59 1.01 -0.91 -2.99 120.40 112.50 1wx9 s VAL 12 Ca 0.51 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1wx9 s VAL 12 Cb -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1wx9 s VAL 12 CO 0.31 -0.00 0.01 -0.75 0.00 0.00 0.00 175.10 174.66 1wx9 s LYS 13 N 2.76 3.53 0.84 2.72 2.20 -0.75 -2.01 119.74 129.03 1wx9 s LYS 13 Ca 0.04 -0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 55.04 1wx9 s LYS 13 Cb -0.13 -3.13 0.17 0.00 -1.51 0.00 0.00 37.83 33.23 1wx9 s LYS 13 CO -0.17 -0.14 1.14 0.95 -0.36 0.00 0.00 175.35 176.78 1wx9 s THR 14 N 1.39 2.02 -0.70 3.43 -4.23 -1.18 -3.59 115.64 112.77 1wx9 s THR 14 Ca 0.05 -0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 1wx9 s THR 14 Cb -0.15 -2.63 -0.18 0.00 1.34 0.00 0.00 72.50 70.89 1wx9 s THR 14 CO 0.00 0.00 3.31 0.18 -0.54 0.00 0.00 174.62 177.58 1wx9 n LEU 15 N -3.25 6.76 -1.14 4.79 7.99 -1.26 -3.09 117.00 127.80 1wx9 n LEU 15 Ca 0.17 -3.72 -0.03 0.00 -0.01 0.00 0.00 56.01 52.41 1wx9 n LEU 15 Cb 0.60 -1.47 -0.01 0.00 -0.11 0.00 0.00 43.42 42.43 1wx9 n LEU 15 CO 0.42 1.86 0.27 -0.67 -1.51 0.00 0.00 177.39 177.76 1wx9 n ASP 16 N 2.86 -0.63 -3.72 -1.43 2.03 -1.26 -5.03 116.55 109.37 1wx9 n ASP 16 Ca 0.58 -1.27 -0.24 0.00 0.52 0.00 0.00 54.79 54.38 1wx9 n ASP 16 Cb 0.62 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wx9 n SER 17 N -0.23 -5.09 -3.42 1.67 7.64 -1.18 -4.95 113.62 108.06 1wx9 n SER 17 Ca -0.14 -0.85 -0.24 0.00 1.01 0.00 0.00 58.87 58.66 1wx9 n SER 17 Cb 0.56 -1.91 -0.10 0.00 -1.01 0.00 0.00 64.21 61.75 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 -4.62 0.57 0.02 1.43 -0.21 -1.26 -4.99 119.66 110.60 1wx9 s GLN 18 Ca 0.03 -1.09 -0.21 0.00 0.02 0.00 0.00 55.36 54.11 1wx9 s GLN 18 Cb -0.00 -1.04 -0.06 0.00 1.00 0.00 0.00 33.01 32.91 1wx9 s GLN 18 CO 0.89 -1.20 0.63 0.99 -2.12 0.00 0.00 175.29 174.48 1wx9 s THR 19 N 1.28 4.83 -0.08 -0.19 2.01 -1.26 -3.10 115.64 119.12 1wx9 s THR 19 Ca 0.17 1.33 -0.01 0.00 0.31 0.00 0.00 61.69 63.49 1wx9 s THR 19 Cb -0.19 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1wx9 s THR 19 CO -0.02 0.43 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.18 1wx9 s ARG 20 N -0.34 0.92 0.13 4.92 0.52 -0.85 -4.92 118.95 119.32 1wx9 s ARG 20 Ca 0.32 -0.02 -0.29 0.00 -0.52 0.00 0.00 55.73 55.23 1wx9 s ARG 20 Cb -0.19 -1.18 -0.06 0.00 0.52 0.00 0.00 34.95 34.04 1wx9 s ARG 20 CO 0.19 -0.29 0.91 0.99 0.02 0.00 0.00 175.30 177.13 1wx9 s THR 21 N 1.86 4.45 -0.01 0.02 2.01 -1.26 -2.14 115.64 120.56 1wx9 s THR 21 Ca 0.05 1.98 0.03 0.00 0.31 0.00 0.00 61.69 64.06 1wx9 s THR 21 Cb -0.12 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1wx9 s THR 21 CO -0.06 0.37 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.77 1wx9 s PHE 22 N -0.31 0.98 -0.37 4.92 0.08 0.35 -4.94 117.98 118.69 1wx9 s PHE 22 Ca 0.44 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.26 1wx9 s PHE 22 Cb -0.23 -0.64 0.08 0.00 -0.57 0.00 0.00 43.02 41.66 1wx9 s PHE 22 CO 0.29 -0.03 0.13 0.42 -0.10 0.00 0.00 175.22 175.94 1wx9 s ILE 23 N -0.20 3.30 0.25 0.64 -1.09 -1.26 0.17 121.20 123.00 1wx9 s ILE 23 Ca 0.03 -1.72 0.07 0.00 -2.23 0.00 0.00 60.65 56.80 1wx9 s ILE 23 Cb -0.05 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 1wx9 s ILE 23 CO -0.00 -0.45 -0.08 0.68 -1.23 0.00 0.00 174.94 173.85 1wx9 s VAL 24 N 1.22 1.61 -0.02 2.92 -7.23 -0.06 -4.93 120.40 113.90 1wx9 s VAL 24 Ca 0.03 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 1wx9 s VAL 24 Cb -0.22 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 1wx9 s VAL 24 CO -0.02 -0.41 1.55 -0.83 -0.31 0.00 0.00 175.10 175.08 1wx9 s GLY 25 N -3.39 1.64 0.35 2.32 0.00 -1.26 -1.47 107.32 105.52 1wx9 s GLY 25 Ca 0.27 0.94 0.17 0.00 0.00 0.00 0.00 44.72 46.10 1wx9 s GLY 25 CO 0.10 2.81 1.63 0.00 0.00 0.00 0.00 173.10 177.64 1wx9 h ALA 26 N 8.67 2.03 -0.68 3.20 0.00 -1.93 1.44 119.26 132.00 1wx9 h ALA 26 Ca -0.39 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1wx9 h ALA 26 Cb 1.18 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1wx9 h ALA 26 CO 0.93 -0.72 0.37 1.96 0.00 0.00 0.00 179.25 181.79 1wx9 h GLN 27 N 0.19 0.66 -5.31 0.00 1.08 -2.01 -3.36 115.11 106.37 1wx9 h GLN 27 Ca 0.78 -0.04 -0.55 0.00 -1.45 0.00 0.00 58.65 57.39 1wx9 h GLN 27 Cb 1.89 -0.15 0.14 0.00 -0.05 0.00 0.00 27.48 29.31 1wx9 h GLN 27 CO -0.67 0.44 -0.84 -0.12 -0.95 0.00 0.00 178.83 176.68 1wx9 n MET 28 N -4.79 0.00 -2.80 1.46 1.56 0.49 -4.88 117.12 108.16 1wx9 n MET 28 Ca 0.09 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.30 1wx9 n MET 28 Cb 0.18 -0.89 0.08 0.00 2.15 0.00 0.00 33.22 34.75 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 -0.89 4.73 0.04 6.12 4.22 -1.26 -3.76 114.94 124.14 1wx9 s ASN 29 Ca 0.52 -0.58 -0.30 0.00 -2.14 0.00 0.00 52.86 50.36 1wx9 s ASN 29 Cb -0.57 0.10 -0.17 0.00 1.28 0.00 0.00 41.25 41.89 1wx9 s ASN 29 CO 0.56 -1.59 1.38 0.58 -2.04 0.00 0.00 177.10 175.99 1wx9 h VAL 30 N -0.17 0.30 -0.33 3.54 2.07 -0.11 -1.79 116.25 119.77 1wx9 h VAL 30 Ca -0.33 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1wx9 h VAL 30 Cb 1.28 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1wx9 h VAL 30 CO 0.41 0.03 -0.34 0.50 0.02 0.00 0.00 177.57 178.19 1wx9 h LYS 31 N -1.00 -0.17 -0.78 1.57 3.64 -1.75 0.42 116.57 118.50 1wx9 h LYS 31 Ca -0.09 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1wx9 h LYS 31 Cb 0.69 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.44 1wx9 h LYS 31 CO 0.14 -0.11 -0.57 0.93 -2.27 0.00 0.00 179.45 177.56 1wx9 h GLU 32 N -0.18 -0.14 -0.98 1.90 5.08 -1.85 0.67 114.58 119.08 1wx9 h GLU 32 Ca 0.06 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.72 1wx9 h GLU 32 Cb 0.33 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.46 1wx9 h GLU 32 CO -0.40 -0.10 0.51 0.35 -1.00 0.00 0.00 179.01 178.37 1wx9 h PHE 33 N -0.15 0.83 -0.38 4.33 3.57 -0.31 1.54 116.94 126.37 1wx9 h PHE 33 Ca 0.13 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1wx9 h PHE 33 Cb 0.48 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1wx9 h PHE 33 CO -0.91 -0.15 -0.05 0.87 -2.23 0.00 0.00 178.31 175.84 1wx9 h LYS 34 N 0.34 0.62 -0.14 1.11 1.57 0.23 -0.23 116.57 120.07 1wx9 h LYS 34 Ca 0.69 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 59.15 1wx9 h LYS 34 Cb 1.51 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1wx9 h LYS 34 CO -0.60 0.68 -0.57 0.93 -0.57 0.00 0.00 179.45 179.32 1wx9 h GLU 35 N 0.58 0.45 0.41 3.15 5.08 0.38 0.79 114.58 125.41 1wx9 h GLU 35 Ca 0.11 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1wx9 h GLU 35 Cb 0.45 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1wx9 h GLU 35 CO 0.02 0.90 -0.19 1.25 -1.00 0.00 0.00 179.01 179.98 1wx9 h HIS 36 N 0.34 -0.50 -0.08 4.33 2.76 0.03 -3.14 115.15 118.89 1wx9 h HIS 36 Ca 0.00 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 1wx9 h HIS 36 Cb 1.10 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1wx9 h HIS 36 CO 0.04 -0.18 -0.40 -0.84 -1.30 0.00 0.00 177.93 175.25 1wx9 h ILE 37 N -0.91 1.30 -1.62 6.26 3.07 -1.10 -2.80 117.51 121.71 1wx9 h ILE 37 Ca -0.06 -1.45 0.51 0.00 1.55 0.00 0.00 64.86 65.41 1wx9 h ILE 37 Cb 0.55 1.69 -0.11 0.00 -0.27 0.00 0.00 36.82 38.68 1wx9 h ILE 37 CO 0.09 0.43 1.11 0.00 -1.05 0.00 0.00 178.15 178.73 1wx9 h ALA 38 N 1.46 3.27 0.40 0.16 0.00 0.66 1.01 119.26 126.21 1wx9 h ALA 38 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wx9 h ALA 38 Cb 0.77 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wx9 h ALA 38 CO 0.06 -1.89 -0.19 0.00 0.00 0.00 0.00 179.25 177.23 1wx9 h ALA 39 N 1.35 -0.54 0.48 0.00 0.00 -1.56 1.27 119.26 120.27 1wx9 h ALA 39 Ca 0.89 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.60 1wx9 h ALA 39 Cb 3.18 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 21.17 1wx9 h ALA 39 CO -0.26 -0.57 -0.39 0.77 0.00 0.00 0.00 179.25 178.80 1wx9 h SER 40 N -0.99 -1.04 -0.22 0.00 0.02 0.68 -2.23 113.55 109.77 1wx9 h SER 40 Ca -0.05 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1wx9 h SER 40 Cb 0.54 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1wx9 h SER 40 CO 0.09 -0.55 0.12 -0.37 -1.14 0.00 0.00 176.83 174.98 1wx9 h VAL 41 N -0.85 1.10 -0.04 2.27 -1.51 -0.50 -3.45 116.25 113.27 1wx9 h VAL 41 Ca -0.06 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 1wx9 h VAL 41 Cb 0.71 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1wx9 h VAL 41 CO 0.00 0.11 -0.01 -0.24 -1.23 0.00 0.00 177.57 176.20 1wx9 n SER 42 N -4.45 -3.22 -4.69 4.19 2.88 0.43 -5.02 113.62 103.74 1wx9 n SER 42 Ca 0.01 0.02 -0.34 0.00 -1.33 0.00 0.00 58.87 57.22 1wx9 n SER 42 Cb 0.11 -0.79 -0.09 0.00 -0.75 0.00 0.00 64.21 62.70 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 -1.99 4.32 0.35 2.46 1.01 -0.57 -4.94 121.20 121.84 1wx9 s ILE 43 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 1wx9 s ILE 43 Cb 0.00 -2.85 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 1wx9 s ILE 43 CO 0.00 0.55 1.06 -2.16 0.00 0.00 0.00 174.94 174.39 1wx9 s PRO 44 N -1.06 4.35 0.21 2.79 0.04 -1.26 -4.20 135.00 135.86 1wx9 s PRO 44 Ca 0.15 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1wx9 s PRO 44 Cb -0.11 -2.79 0.25 0.00 0.04 0.00 0.00 34.50 31.89 1wx9 s PRO 44 CO 0.04 -0.00 1.79 0.66 0.04 0.00 0.00 177.00 179.53 1wx9 h SER 45 N 3.00 0.46 0.00 6.66 4.64 -1.92 0.48 113.55 126.86 1wx9 h SER 45 Ca -0.48 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wx9 h SER 45 Cb 1.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1wx9 h SER 45 CO 0.64 0.29 0.20 1.05 -0.87 0.00 0.00 176.83 178.14 1wx9 h GLU 46 N 0.60 0.00 0.00 4.77 4.11 -1.97 0.35 114.58 122.44 1wx9 h GLU 46 Ca 0.30 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.53 1wx9 h GLU 46 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1wx9 h GLU 46 CO -0.22 0.00 -2.17 1.63 0.07 0.00 0.00 179.01 178.32 1wx9 n LYS 47 N -2.93 0.74 -1.25 1.06 5.02 0.96 -4.98 118.16 116.78 1wx9 n LYS 47 Ca -0.02 -0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 55.89 1wx9 n LYS 47 Cb 0.25 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.89 0.36 -0.39 1.97 -0.21 0.13 -3.34 119.66 115.29 1wx9 s GLN 48 Ca -0.09 0.37 -0.02 0.00 0.02 0.00 0.00 55.36 55.64 1wx9 s GLN 48 Cb 0.09 -1.74 0.23 0.00 1.00 0.00 0.00 33.01 32.59 1wx9 s GLN 48 CO 0.83 -2.75 1.05 -2.13 -2.12 0.00 0.00 175.29 170.17 1wx9 n ARG 49 N -4.16 0.26 -1.70 2.91 0.63 -1.21 -4.94 116.66 108.46 1wx9 n ARG 49 Ca 0.06 -1.09 -0.44 0.00 -0.92 0.00 0.00 57.85 55.47 1wx9 n ARG 49 Cb 0.58 -0.43 -0.03 0.00 0.45 0.00 0.00 32.46 33.03 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 2.25 3.58 -3.88 6.15 4.77 -1.26 -3.79 117.00 124.82 1wx9 n LEU 50 Ca 0.10 1.09 -0.21 0.00 -0.03 0.00 0.00 56.01 56.96 1wx9 n LEU 50 Cb 0.65 -1.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.07 1wx9 n LEU 50 CO -0.08 -0.10 -0.41 -0.63 -1.33 0.00 0.00 177.39 174.84 1wx9 s ILE 51 N 0.72 0.55 -0.07 -0.08 1.01 -0.82 -0.22 121.20 122.30 1wx9 s ILE 51 Ca 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1wx9 s ILE 51 Cb -0.59 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.31 1wx9 s ILE 51 CO 0.39 0.24 -0.01 -0.47 0.00 0.00 0.00 174.94 175.09 1wx9 s TYR 52 N 1.05 0.77 0.00 3.97 5.04 -1.14 -1.24 117.35 125.81 1wx9 s TYR 52 Ca -0.09 -0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 1wx9 s TYR 52 Cb -0.14 -0.83 0.00 0.00 0.35 0.00 0.00 41.96 41.34 1wx9 s TYR 52 CO -0.01 -0.33 0.00 1.04 -1.34 0.00 0.00 175.55 174.92 1wx9 n GLN 53 N 4.95 0.00 0.00 4.97 6.02 -1.26 -3.32 117.38 128.73 1wx9 n GLN 53 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1wx9 n GLN 53 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 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 0.58 3.78 1.08 0.00 -1.26 -5.13 105.19 104.24 1wx9 n GLY 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.97 0.28 1.61 3.52 -1.21 -5.05 118.95 122.06 1wx9 s ARG 55 Ca 0.00 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 1wx9 s ARG 55 Cb 0.00 -3.34 -0.11 0.00 -1.56 0.00 0.00 34.95 29.95 1wx9 s ARG 55 CO 0.00 0.46 1.50 0.54 -0.81 0.00 0.00 175.30 176.99 1wx9 s VAL 56 N -0.15 2.38 -0.04 7.11 0.11 -1.26 -2.87 120.40 125.68 1wx9 s VAL 56 Ca 0.14 0.32 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 1wx9 s VAL 56 Cb -0.12 -3.21 -0.03 0.00 -1.53 0.00 0.00 36.38 31.49 1wx9 s VAL 56 CO 0.03 0.05 1.14 -0.76 -3.33 0.00 0.00 175.10 172.23 1wx9 s LEU 57 N -0.54 4.30 0.23 2.54 1.43 0.70 -4.95 118.68 122.38 1wx9 s LEU 57 Ca 0.60 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 55.18 1wx9 s LEU 57 Cb -0.45 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 1wx9 s LEU 57 CO 0.46 -0.50 1.18 -1.58 0.23 0.00 0.00 176.35 176.14 1wx9 s GLN 58 N 1.86 4.52 0.17 1.70 -0.44 -1.26 -4.73 119.66 121.48 1wx9 s GLN 58 Ca 0.54 1.90 -0.13 0.00 -2.50 0.00 0.00 55.36 55.17 1wx9 s GLN 58 Cb -0.24 -3.20 0.07 0.00 -1.64 0.00 0.00 33.01 28.00 1wx9 s GLN 58 CO 0.23 -0.01 1.78 0.38 0.50 0.00 0.00 175.29 178.17 1wx9 h ASP 59 N 4.60 0.69 0.13 6.67 3.04 -1.94 -1.19 116.42 128.42 1wx9 h ASP 59 Ca -0.46 -0.09 -0.03 0.00 -3.24 0.00 0.00 57.03 53.21 1wx9 h ASP 59 Cb 1.21 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 39.32 1wx9 h ASP 59 CO 0.71 0.59 -0.14 0.44 -2.04 0.00 0.00 179.24 178.80 1wx9 h ASP 60 N 0.75 0.03 -3.87 4.15 5.19 -1.98 -2.86 116.42 117.83 1wx9 h ASP 60 Ca 0.20 -0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 56.14 1wx9 h ASP 60 Cb 0.04 -0.01 0.16 0.00 0.18 0.00 0.00 39.33 39.71 1wx9 h ASP 60 CO -0.03 0.17 0.19 -0.54 -3.12 0.00 0.00 179.24 175.90 1wx9 s LYS 61 N -4.74 0.48 0.22 3.56 -0.14 -0.45 -4.75 119.74 113.92 1wx9 s LYS 61 Ca -0.04 0.62 0.11 0.00 -1.36 0.00 0.00 55.97 55.30 1wx9 s LYS 61 Cb 0.16 -1.73 -0.05 0.00 -1.68 0.00 0.00 37.83 34.53 1wx9 s LYS 61 CO 0.70 -2.72 -0.23 0.15 -0.76 0.00 0.00 175.35 172.49 1wx9 s LYS 62 N -4.91 1.55 0.07 1.68 1.02 -1.26 0.14 119.74 118.03 1wx9 s LYS 62 Ca 0.65 -1.59 -0.36 0.00 0.02 0.00 0.00 55.97 54.69 1wx9 s LYS 62 Cb -0.19 -1.80 -0.19 0.00 -0.52 0.00 0.00 37.83 35.13 1wx9 s LYS 62 CO 0.58 0.37 1.55 -0.07 -0.92 0.00 0.00 175.35 176.87 1wx9 h LEU 63 N 2.94 -1.23 -0.91 3.17 -0.00 -1.79 -2.37 115.31 115.12 1wx9 h LEU 63 Ca -0.44 0.07 0.25 0.00 -0.00 0.00 0.00 57.88 57.76 1wx9 h LEU 63 Cb 1.22 0.36 -0.15 0.00 -0.00 0.00 0.00 40.66 42.09 1wx9 h LEU 63 CO 0.52 -0.75 0.28 -0.61 -0.00 0.00 0.00 178.44 177.87 1wx9 h GLN 64 N -1.20 0.20 -0.36 1.13 4.15 -1.85 0.27 115.11 117.45 1wx9 h GLN 64 Ca -0.11 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.38 1wx9 h GLN 64 Cb 0.96 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.52 1wx9 h GLN 64 CO 0.11 0.13 -0.28 0.93 -1.93 0.00 0.00 178.83 177.80 1wx9 h GLU 65 N 0.21 -0.22 0.00 1.69 4.39 -1.74 0.53 114.58 119.44 1wx9 h GLU 65 Ca 0.59 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1wx9 h GLU 65 Cb 1.23 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1wx9 h GLU 65 CO -0.67 -0.15 0.00 1.88 -1.16 0.00 0.00 179.01 178.92 1wx9 h TYR 66 N -0.23 0.00 -2.29 4.33 0.05 -0.24 -3.46 116.97 115.13 1wx9 h TYR 66 Ca 0.17 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.78 1wx9 h TYR 66 Cb 0.50 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.27 1wx9 h TYR 66 CO -0.48 0.00 -0.26 -1.71 -1.05 0.00 0.00 178.16 174.66 1wx9 n ASN 67 N -2.46 -3.52 -0.10 3.88 5.15 0.18 -4.89 115.26 113.50 1wx9 n ASN 67 Ca 0.02 -0.14 0.09 0.00 -0.60 0.00 0.00 54.58 53.95 1wx9 n ASN 67 Cb 0.25 -2.38 0.49 0.00 -0.53 0.00 0.00 39.78 37.60 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 -3.74 0.04 -1.69 3.44 0.24 -1.13 -4.77 118.33 110.72 1wx9 n VAL 68 Ca -0.04 -0.07 -0.52 0.00 -2.04 0.00 0.00 64.34 61.67 1wx9 n VAL 68 Cb 0.55 -0.15 -0.06 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 0.84 1.21 2.77 7.63 0.00 -1.26 0.10 105.19 116.49 1wx9 n GLY 69 Ca 0.14 0.89 -0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 4.36 0.14 3.96 -0.02 0.00 0.39 -4.93 105.19 109.10 1wx9 n GLY 70 Ca 0.24 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.59 2.92 -0.30 1.61 -0.14 0.29 -4.85 119.74 117.67 1wx9 s LYS 71 Ca 0.00 -0.65 -0.09 0.00 -1.36 0.00 0.00 55.97 53.88 1wx9 s LYS 71 Cb 0.00 -2.57 -0.01 0.00 -1.68 0.00 0.00 37.83 33.57 1wx9 s LYS 71 CO 0.00 -0.36 0.13 0.08 -0.76 0.00 0.00 175.35 174.44 1wx9 s VAL 72 N -2.56 4.44 0.58 3.17 1.01 -1.26 -1.74 120.40 124.04 1wx9 s VAL 72 Ca 0.51 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1wx9 s VAL 72 Cb -0.10 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1wx9 s VAL 72 CO 0.37 0.10 0.81 -0.63 0.00 0.00 0.00 175.10 175.75 1wx9 s ILE 73 N 1.59 2.51 -0.40 2.22 1.01 -1.16 -4.94 121.20 122.03 1wx9 s ILE 73 Ca 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1wx9 s ILE 73 Cb -0.17 -2.79 0.12 0.00 0.01 0.00 0.00 42.46 39.63 1wx9 s ILE 73 CO 0.05 0.00 0.16 -1.00 0.00 0.00 0.00 174.94 174.16 1wx9 s HIS 74 N -2.80 2.64 0.05 3.97 3.76 -0.38 -1.81 115.29 120.73 1wx9 s HIS 74 Ca 0.60 -2.59 -0.21 0.00 -0.15 0.00 0.00 55.06 52.71 1wx9 s HIS 74 Cb -0.08 -2.32 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 1wx9 s HIS 74 CO 0.39 -0.84 0.64 -1.17 -0.85 0.00 0.00 174.74 172.92 1wx9 s LEU 75 N 0.63 4.48 0.06 0.89 2.96 -1.24 -1.94 118.68 124.53 1wx9 s LEU 75 Ca 0.14 1.31 0.08 0.00 -0.22 0.00 0.00 54.13 55.44 1wx9 s LEU 75 Cb -0.22 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 1wx9 s LEU 75 CO -0.07 0.16 -0.24 0.68 -1.32 0.00 0.00 176.35 175.56 1wx9 s VAL 76 N -0.61 1.91 -0.14 1.68 -7.23 -1.25 -4.55 120.40 110.21 1wx9 s VAL 76 Ca 0.32 -1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1wx9 s VAL 76 Cb -0.20 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1wx9 s VAL 76 CO 0.20 0.24 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.40 1wx9 s GLU 77 N -1.34 3.36 1.13 4.82 2.12 -1.26 -3.33 118.70 124.20 1wx9 s GLU 77 Ca 0.10 -0.69 -0.13 0.00 0.36 0.00 0.00 54.97 54.61 1wx9 s GLU 77 Cb -0.09 -2.67 0.26 0.00 0.26 0.00 0.00 34.13 31.89 1wx9 s GLU 77 CO 0.02 0.14 1.04 1.03 -0.54 0.00 0.00 175.26 176.96 1wx9 s ARG 78 N 0.54 -0.65 0.33 4.30 0.52 -1.21 -5.02 118.95 117.76 1wx9 s ARG 78 Ca -0.08 0.74 -0.04 0.00 -0.52 0.00 0.00 55.73 55.83 1wx9 s ARG 78 Cb -0.16 -1.59 -0.05 0.00 0.52 0.00 0.00 34.95 33.67 1wx9 s ARG 78 CO 0.04 -3.52 0.59 0.00 0.02 0.00 0.00 175.30 172.43 1wx9 s ALA 79 N -2.59 3.60 0.94 2.13 0.00 -1.26 -5.09 121.76 119.49 1wx9 s ALA 79 Ca 0.68 -0.59 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 1wx9 s ALA 79 Cb -0.23 -2.32 0.16 0.00 0.00 0.00 0.00 23.12 20.72 1wx9 s ALA 79 CO 0.63 0.12 1.15 -1.25 0.00 0.00 0.00 175.76 176.41 1wx9 s PRO 80 N -3.82 0.88 0.15 0.00 0.04 -1.26 -5.03 135.00 125.96 1wx9 s PRO 80 Ca 0.44 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1wx9 s PRO 80 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1wx9 s PRO 80 CO 0.33 -2.35 0.00 0.45 0.04 0.00 0.00 177.00 175.46 1wx9 n SER 81 N -3.86 -0.02 -4.17 6.66 2.88 -1.26 -5.14 113.62 108.71 1wx9 n SER 81 Ca 0.08 0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1wx9 n SER 81 Cb 0.59 0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 64.13 1wx9 n SER 81 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wx9 s GLY 82 N -4.42 0.80 -1.22 0.46 0.00 -1.26 -5.06 107.32 96.62 1wx9 s GLY 82 Ca 0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 44.72 43.25 1wx9 s GLY 82 CO 0.00 -1.36 1.88 -1.55 0.00 0.00 0.00 173.10 172.07 1wx9 n PRO 83 N 0.23 2.37 -3.45 2.90 -0.04 -1.26 -4.85 135.00 130.90 1wx9 n PRO 83 Ca -0.14 -2.76 -0.43 0.00 -0.04 0.00 0.00 63.50 60.14 1wx9 n PRO 83 Cb 0.59 -3.51 -0.03 0.00 -0.04 0.00 0.00 33.50 30.51 1wx9 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wx9 s SER 84 N 5.08 6.54 -0.26 3.54 0.15 -1.26 -4.97 113.70 122.52 1wx9 s SER 84 Ca 0.59 -3.17 -0.10 0.00 0.70 0.00 0.00 55.95 53.98 1wx9 s SER 84 Cb 0.04 -2.10 0.11 0.00 -1.71 0.00 0.00 66.02 62.36 1wx9 s SER 84 CO 0.09 -0.39 0.58 -0.55 1.20 0.00 0.00 173.24 174.17 1wx9 s SER 85 N 1.26 -0.84 0.00 5.45 0.15 -1.26 -5.21 113.70 113.25 1wx9 s SER 85 Ca 0.23 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1wx9 s SER 85 Cb -0.11 1.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 1wx9 s SER 85 CO -0.08 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.74