#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx9 s SER 2 N 0.00 1.14 -0.50 1.61 0.15 -1.26 -5.10 113.70 109.74 1wx9 s SER 2 Ca 0.00 -0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.34 1wx9 s SER 2 Cb 0.00 -0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1wx9 s SER 2 CO 0.00 -0.18 1.16 -0.55 1.20 0.00 0.00 173.24 174.87 1wx9 s SER 3 N 1.75 6.58 0.00 5.45 0.15 -1.26 -4.70 113.70 121.67 1wx9 s SER 3 Ca 0.01 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1wx9 s SER 3 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wx9 s SER 3 CO -0.03 -1.31 0.00 0.61 1.20 0.00 0.00 173.24 173.70 1wx9 n GLY 4 N 4.91 0.68 2.96 9.45 0.00 -1.26 -5.06 105.19 116.87 1wx9 n GLY 4 Ca 0.12 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 1wx9 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wx9 n SER 5 N 0.00 -6.09 -4.65 1.61 3.41 -1.26 -4.76 113.62 101.88 1wx9 n SER 5 Ca 0.00 0.95 -0.46 0.00 -0.26 0.00 0.00 58.87 59.09 1wx9 n SER 5 Cb 0.00 -3.05 -0.03 0.00 -0.26 0.00 0.00 64.21 60.86 1wx9 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wx9 n SER 6 N 1.57 2.54 -3.79 4.04 7.64 -1.26 -4.96 113.62 119.40 1wx9 n SER 6 Ca -0.08 1.13 -0.06 0.00 1.01 0.00 0.00 58.87 60.87 1wx9 n SER 6 Cb 0.29 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.09 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 0.40 -0.18 -0.04 0.23 0.00 -1.26 -4.95 107.32 101.51 1wx9 s GLY 7 Ca 0.72 -0.09 -0.17 0.00 0.00 0.00 0.00 44.72 45.19 1wx9 s GLY 7 CO 0.47 -0.03 0.45 -2.27 0.00 0.00 0.00 173.10 171.72 1wx9 s LEU 8 N -2.90 4.39 0.12 0.66 0.20 0.17 -4.89 118.68 116.42 1wx9 s LEU 8 Ca 0.11 0.92 -0.15 0.00 0.69 0.00 0.00 54.13 55.70 1wx9 s LEU 8 Cb -0.04 -2.66 -0.07 0.00 -0.43 0.00 0.00 46.19 42.99 1wx9 s LEU 8 CO 0.04 0.18 0.53 -0.70 -0.29 0.00 0.00 176.35 176.11 1wx9 s GLU 9 N -0.33 4.00 -0.08 1.98 2.12 -1.26 -1.02 118.70 124.10 1wx9 s GLU 9 Ca 0.25 0.50 -0.04 0.00 0.36 0.00 0.00 54.97 56.04 1wx9 s GLU 9 Cb -0.16 -3.01 0.04 0.00 0.26 0.00 0.00 34.13 31.26 1wx9 s GLU 9 CO 0.12 0.53 0.18 0.08 -0.54 0.00 0.00 175.26 175.64 1wx9 s VAL 10 N -1.37 -0.04 0.40 3.70 1.01 0.41 0.14 120.40 124.65 1wx9 s VAL 10 Ca 0.35 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.54 1wx9 s VAL 10 Cb -0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1wx9 s VAL 10 CO 0.19 0.06 0.37 -0.76 0.00 0.00 0.00 175.10 174.95 1wx9 s LEU 11 N 1.01 3.43 -0.27 3.92 1.02 -1.03 0.19 118.68 126.95 1wx9 s LEU 11 Ca -0.08 -0.70 -0.09 0.00 0.02 0.00 0.00 54.13 53.29 1wx9 s LEU 11 Cb -0.09 -2.09 0.12 0.00 0.02 0.00 0.00 46.19 44.14 1wx9 s LEU 11 CO -0.06 -0.61 0.57 -0.69 0.02 0.00 0.00 176.35 175.59 1wx9 s VAL 12 N -2.44 -0.88 -0.28 -1.59 1.01 -0.95 -3.29 120.40 111.98 1wx9 s VAL 12 Ca 0.47 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 1wx9 s VAL 12 Cb -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1wx9 s VAL 12 CO 0.28 0.02 0.04 -0.75 0.00 0.00 0.00 175.10 174.69 1wx9 s LYS 13 N 2.80 3.08 0.79 2.72 2.20 -1.03 -1.84 119.74 128.46 1wx9 s LYS 13 Ca -0.05 -0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 54.61 1wx9 s LYS 13 Cb -0.12 -3.25 0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1wx9 s LYS 13 CO -0.17 -0.40 1.13 0.95 -0.36 0.00 0.00 175.35 176.50 1wx9 s THR 14 N 1.46 2.10 -1.04 3.43 -4.23 -1.02 -3.70 115.64 112.65 1wx9 s THR 14 Ca 0.02 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 1wx9 s THR 14 Cb -0.17 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.63 1wx9 s THR 14 CO 0.00 0.00 2.27 0.18 -0.54 0.00 0.00 174.62 176.53 1wx9 n LEU 15 N -3.22 5.62 -1.28 4.79 7.99 -1.26 -2.80 117.00 126.84 1wx9 n LEU 15 Ca 0.09 -3.15 -0.02 0.00 -0.01 0.00 0.00 56.01 52.92 1wx9 n LEU 15 Cb 0.61 -1.18 0.01 0.00 -0.11 0.00 0.00 43.42 42.75 1wx9 n LEU 15 CO 0.54 0.89 0.25 -0.67 -1.51 0.00 0.00 177.39 176.88 1wx9 n ASP 16 N 4.08 -0.41 -3.81 -1.43 -0.08 -1.26 -5.02 116.55 108.60 1wx9 n ASP 16 Ca 0.50 -1.04 -0.28 0.00 -1.51 0.00 0.00 54.79 52.47 1wx9 n ASP 16 Cb 0.15 0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1wx9 n SER 17 N -0.26 -4.47 -3.45 1.67 3.41 -1.12 -4.94 113.62 104.45 1wx9 n SER 17 Ca -0.08 -1.01 -0.22 0.00 -0.26 0.00 0.00 58.87 57.31 1wx9 n SER 17 Cb 0.51 -1.52 -0.12 0.00 -0.26 0.00 0.00 64.21 62.82 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wx9 s GLN 18 N -5.32 0.27 -0.01 4.33 -0.21 -1.26 -5.00 119.66 112.47 1wx9 s GLN 18 Ca 0.08 -0.29 -0.13 0.00 0.02 0.00 0.00 55.36 55.05 1wx9 s GLN 18 Cb -0.05 -0.86 -0.05 0.00 1.00 0.00 0.00 33.01 33.05 1wx9 s GLN 18 CO 0.88 -1.02 0.36 0.99 -2.12 0.00 0.00 175.29 174.38 1wx9 s THR 19 N 2.26 5.12 -0.06 -0.19 2.01 -1.26 -2.42 115.64 121.11 1wx9 s THR 19 Ca 0.09 0.66 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 1wx9 s THR 19 Cb -0.15 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1wx9 s THR 19 CO -0.34 0.54 0.03 -0.13 -0.69 0.00 0.00 174.62 174.02 1wx9 s ARG 20 N -1.21 0.31 0.19 4.92 0.52 -0.77 -4.93 118.95 117.99 1wx9 s ARG 20 Ca 0.24 0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 1wx9 s ARG 20 Cb -0.15 -0.78 -0.08 0.00 0.52 0.00 0.00 34.95 34.45 1wx9 s ARG 20 CO 0.13 -0.32 0.96 0.99 0.02 0.00 0.00 175.30 177.08 1wx9 s THR 21 N 2.06 4.19 -0.01 0.02 2.01 -1.26 -2.25 115.64 120.40 1wx9 s THR 21 Ca 0.05 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.11 1wx9 s THR 21 Cb -0.12 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 1wx9 s THR 21 CO -0.04 0.42 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.86 1wx9 s PHE 22 N -0.70 0.79 -0.37 4.92 0.08 0.50 -4.95 117.98 118.25 1wx9 s PHE 22 Ca 0.44 -0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.28 1wx9 s PHE 22 Cb -0.25 -0.54 0.08 0.00 -0.57 0.00 0.00 43.02 41.74 1wx9 s PHE 22 CO 0.32 -0.04 0.15 0.42 -0.10 0.00 0.00 175.22 175.96 1wx9 s ILE 23 N -0.04 3.39 0.25 0.64 -1.09 -1.26 0.16 121.20 123.25 1wx9 s ILE 23 Ca 0.01 -1.69 0.07 0.00 -2.23 0.00 0.00 60.65 56.80 1wx9 s ILE 23 Cb -0.05 -3.15 -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 0.00 174.94 173.85 1wx9 s VAL 24 N 1.24 1.63 -0.06 2.92 -7.23 -0.19 -4.92 120.40 113.78 1wx9 s VAL 24 Ca 0.03 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1wx9 s VAL 24 Cb -0.22 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1wx9 s VAL 24 CO -0.02 -0.39 1.38 -0.83 -0.31 0.00 0.00 175.10 174.93 1wx9 s GLY 25 N -3.39 1.78 0.33 2.32 0.00 -1.26 -0.65 107.32 106.44 1wx9 s GLY 25 Ca 0.27 0.74 0.09 0.00 0.00 0.00 0.00 44.72 45.83 1wx9 s GLY 25 CO 0.10 2.55 1.60 0.00 0.00 0.00 0.00 173.10 177.35 1wx9 h ALA 26 N 8.16 1.60 -0.68 3.20 0.00 -1.93 1.44 119.26 131.06 1wx9 h ALA 26 Ca -0.34 0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1wx9 h ALA 26 Cb 1.16 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 1wx9 h ALA 26 CO 0.93 -0.68 0.26 1.96 0.00 0.00 0.00 179.25 181.71 1wx9 h GLN 27 N 0.07 0.41 -5.34 0.00 4.20 -2.01 -3.36 115.11 109.07 1wx9 h GLN 27 Ca 0.69 -0.02 -0.54 0.00 0.06 0.00 0.00 58.65 58.84 1wx9 h GLN 27 Cb 1.59 -0.09 0.16 0.00 0.30 0.00 0.00 27.48 29.44 1wx9 h GLN 27 CO -0.79 0.27 -1.01 -0.12 -0.67 0.00 0.00 178.83 176.51 1wx9 n MET 28 N -5.01 0.00 -3.25 1.46 1.56 0.49 -4.88 117.12 107.50 1wx9 n MET 28 Ca 0.11 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.36 1wx9 n MET 28 Cb 0.34 -0.89 -0.00 0.00 2.15 0.00 0.00 33.22 34.82 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 5.66 0.08 6.12 4.22 -1.26 -3.82 114.94 125.05 1wx9 s ASN 29 Ca 0.51 -0.39 -0.35 0.00 -2.14 0.00 0.00 52.86 50.49 1wx9 s ASN 29 Cb -0.46 -0.83 -0.17 0.00 1.28 0.00 0.00 41.25 41.07 1wx9 s ASN 29 CO 0.59 -0.63 1.58 0.58 -2.04 0.00 0.00 177.10 177.17 1wx9 h VAL 30 N 0.79 0.08 -0.72 3.54 2.07 -0.25 0.13 116.25 121.89 1wx9 h VAL 30 Ca -0.42 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.19 1wx9 h VAL 30 Cb 1.27 0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 31.00 1wx9 h VAL 30 CO 0.49 0.00 -0.47 0.50 0.02 0.00 0.00 177.57 178.11 1wx9 h LYS 31 N -1.01 -0.16 0.07 1.57 3.64 -1.77 0.27 116.57 119.18 1wx9 h LYS 31 Ca -0.07 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1wx9 h LYS 31 Cb 0.86 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 1wx9 h LYS 31 CO -0.01 -0.10 -0.50 0.93 -2.27 0.00 0.00 179.45 177.50 1wx9 h GLU 32 N -0.16 -0.67 -0.99 1.90 5.08 -1.79 -0.54 114.58 117.41 1wx9 h GLU 32 Ca 0.19 0.05 0.35 0.00 -1.00 0.00 0.00 59.36 58.94 1wx9 h GLU 32 Cb 0.54 0.15 -0.17 0.00 0.50 0.00 0.00 28.75 29.78 1wx9 h GLU 32 CO -0.78 -0.45 0.46 0.35 -1.00 0.00 0.00 179.01 177.59 1wx9 h PHE 33 N -0.70 0.72 -0.67 4.33 3.57 0.95 1.51 116.94 126.66 1wx9 h PHE 33 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1wx9 h PHE 33 Cb 0.73 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1wx9 h PHE 33 CO -0.46 -0.34 0.43 0.87 -2.23 0.00 0.00 178.31 176.59 1wx9 h LYS 34 N 0.14 0.89 -0.08 1.11 1.57 0.59 0.25 116.57 121.04 1wx9 h LYS 34 Ca 0.75 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.39 1wx9 h LYS 34 Cb 1.81 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 1wx9 h LYS 34 CO -0.72 0.60 -0.28 0.93 -0.57 0.00 0.00 179.45 179.41 1wx9 h GLU 35 N 0.91 0.15 0.37 3.15 5.08 0.26 1.42 114.58 125.92 1wx9 h GLU 35 Ca 0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1wx9 h GLU 35 Cb -0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1wx9 h GLU 35 CO -0.05 0.43 -0.18 1.25 -1.00 0.00 0.00 179.01 179.46 1wx9 h HIS 36 N 0.14 -0.46 0.00 4.33 2.76 0.29 -3.22 115.15 118.98 1wx9 h HIS 36 Ca 0.02 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1wx9 h HIS 36 Cb 0.58 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 1wx9 h HIS 36 CO 0.01 -0.18 -0.31 -0.84 -1.30 0.00 0.00 177.93 175.30 1wx9 h ILE 37 N -1.05 1.02 -1.94 6.26 3.07 -0.51 -2.79 117.51 121.57 1wx9 h ILE 37 Ca -0.05 -1.16 0.56 0.00 1.55 0.00 0.00 64.86 65.76 1wx9 h ILE 37 Cb 0.49 1.67 -0.08 0.00 -0.27 0.00 0.00 36.82 38.63 1wx9 h ILE 37 CO 0.08 0.31 1.41 0.00 -1.05 0.00 0.00 178.15 178.90 1wx9 h ALA 38 N 1.69 3.85 0.58 0.16 0.00 0.20 0.86 119.26 126.58 1wx9 h ALA 38 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1wx9 h ALA 38 Cb 0.64 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1wx9 h ALA 38 CO 0.04 -2.41 -0.28 0.00 0.00 0.00 0.00 179.25 176.60 1wx9 h ALA 39 N 1.01 -0.81 0.60 0.00 0.00 -1.62 1.33 119.26 119.77 1wx9 h ALA 39 Ca 0.92 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.64 1wx9 h ALA 39 Cb 3.73 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 21.81 1wx9 h ALA 39 CO -0.01 -0.75 -0.45 0.77 0.00 0.00 0.00 179.25 178.81 1wx9 h SER 40 N -1.16 -1.18 0.11 0.00 0.02 0.37 -1.66 113.55 110.05 1wx9 h SER 40 Ca -0.08 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1wx9 h SER 40 Cb 0.60 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1wx9 h SER 40 CO 0.13 -0.65 -0.09 -0.37 -1.14 0.00 0.00 176.83 174.71 1wx9 h VAL 41 N -1.01 0.94 -0.27 2.27 -1.51 -0.75 -3.45 116.25 112.47 1wx9 h VAL 41 Ca -0.07 -0.31 -0.12 0.00 -1.23 0.00 0.00 66.70 64.97 1wx9 h VAL 41 Cb 0.85 1.17 -0.05 0.00 -2.13 0.00 0.00 31.29 31.14 1wx9 h VAL 41 CO 0.02 0.09 -0.10 -0.24 -1.23 0.00 0.00 177.57 176.10 1wx9 n SER 42 N -4.26 -4.21 -4.52 4.19 2.88 0.45 -5.00 113.62 103.15 1wx9 n SER 42 Ca -0.03 0.14 -0.33 0.00 -1.33 0.00 0.00 58.87 57.32 1wx9 n SER 42 Cb 0.17 -2.20 -0.12 0.00 -0.75 0.00 0.00 64.21 61.30 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 -2.03 3.33 0.45 2.46 1.01 -0.59 -4.95 121.20 120.87 1wx9 s ILE 43 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 1wx9 s ILE 43 Cb 0.00 -2.34 -0.09 0.00 0.01 0.00 0.00 42.46 40.05 1wx9 s ILE 43 CO 0.00 0.58 1.05 -2.16 0.00 0.00 0.00 174.94 174.40 1wx9 s PRO 44 N -0.82 3.97 0.60 2.79 0.04 -1.26 -4.17 135.00 136.14 1wx9 s PRO 44 Ca 0.12 1.44 0.29 0.00 0.04 0.00 0.00 61.00 62.89 1wx9 s PRO 44 Cb -0.11 -2.31 1.64 0.00 0.04 0.00 0.00 34.50 33.77 1wx9 s PRO 44 CO 0.01 -0.30 2.06 0.66 0.04 0.00 0.00 177.00 179.47 1wx9 h SER 45 N 2.00 0.00 0.84 6.66 4.64 -1.91 0.91 113.55 126.69 1wx9 h SER 45 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1wx9 h SER 45 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1wx9 h SER 45 CO 0.61 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.73 1wx9 n GLU 46 N -3.71 0.20 -0.03 4.77 0.28 -1.26 -2.69 120.64 118.19 1wx9 n GLU 46 Ca 0.02 0.38 -0.01 0.00 -0.16 0.00 0.00 57.16 57.40 1wx9 n GLU 46 Cb 0.38 -1.85 -0.08 0.00 1.43 0.00 0.00 31.44 31.33 1wx9 n GLU 46 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wx9 n LYS 47 N -2.22 1.55 -1.64 3.44 5.02 0.28 -4.99 118.16 119.61 1wx9 n LYS 47 Ca 0.03 -0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 1wx9 n LYS 47 Cb 0.26 -1.25 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.44 2.73 -0.48 1.97 -0.21 0.64 -3.20 119.66 118.66 1wx9 s GLN 48 Ca -0.04 1.27 0.05 0.00 0.02 0.00 0.00 55.36 56.65 1wx9 s GLN 48 Cb 0.04 -1.95 0.22 0.00 1.00 0.00 0.00 33.01 32.33 1wx9 s GLN 48 CO 0.42 -1.29 0.86 -2.13 -2.12 0.00 0.00 175.29 171.03 1wx9 n ARG 49 N -2.74 0.62 -1.64 2.91 0.63 -1.07 -4.91 116.66 110.46 1wx9 n ARG 49 Ca 0.10 -1.73 -0.48 0.00 -0.92 0.00 0.00 57.85 54.82 1wx9 n ARG 49 Cb 0.52 -1.31 -0.04 0.00 0.45 0.00 0.00 32.46 32.08 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 2.16 2.57 -3.81 6.15 4.77 -1.26 -3.54 117.00 124.04 1wx9 n LEU 50 Ca 0.12 1.11 -0.19 0.00 -0.03 0.00 0.00 56.01 57.02 1wx9 n LEU 50 Cb 0.61 -1.34 -0.17 0.00 -2.33 0.00 0.00 43.42 40.19 1wx9 n LEU 50 CO -0.00 -0.62 -0.38 -0.63 -1.33 0.00 0.00 177.39 174.43 1wx9 s ILE 51 N 0.51 0.27 -0.18 -0.08 1.01 -0.12 -0.98 121.20 121.63 1wx9 s ILE 51 Ca 0.78 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 1wx9 s ILE 51 Cb -0.76 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1wx9 s ILE 51 CO 0.44 0.19 -0.16 -0.47 0.00 0.00 0.00 174.94 174.94 1wx9 s TYR 52 N 1.34 2.81 0.00 3.97 6.14 -0.71 -0.39 117.35 130.51 1wx9 s TYR 52 Ca -0.05 -1.35 0.00 0.00 0.64 0.00 0.00 57.07 56.31 1wx9 s TYR 52 Cb -0.13 -1.94 0.00 0.00 0.42 0.00 0.00 41.96 40.30 1wx9 s TYR 52 CO -0.02 -0.67 0.00 1.04 0.64 0.00 0.00 175.55 176.54 1wx9 n GLN 53 N 4.49 0.00 -1.00 4.97 6.02 -1.26 -2.33 117.38 128.28 1wx9 n GLN 53 Ca -0.20 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1wx9 n GLN 53 Cb 0.51 0.00 0.00 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 -0.69 2.95 1.08 0.00 -1.26 -5.15 105.19 102.12 1wx9 n GLY 54 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.26 -0.49 1.61 0.52 -0.98 -5.11 118.95 114.76 1wx9 s ARG 55 Ca 0.00 -0.36 -0.26 0.00 -0.52 0.00 0.00 55.73 54.59 1wx9 s ARG 55 Cb 0.00 -0.08 0.03 0.00 0.52 0.00 0.00 34.95 35.42 1wx9 s ARG 55 CO -0.00 0.01 0.98 0.54 0.02 0.00 0.00 175.30 176.85 1wx9 s VAL 56 N -0.73 4.38 -0.09 3.52 0.11 -1.26 -1.73 120.40 124.59 1wx9 s VAL 56 Ca -0.07 0.73 -0.31 0.00 -2.93 0.00 0.00 61.98 59.40 1wx9 s VAL 56 Cb -0.05 -4.50 -0.09 0.00 -1.53 0.00 0.00 36.38 30.20 1wx9 s VAL 56 CO -0.00 -0.96 2.02 0.18 -3.33 0.00 0.00 175.10 173.00 1wx9 n LEU 57 N 7.43 3.60 -4.52 2.54 4.77 -0.15 -4.92 117.00 125.75 1wx9 n LEU 57 Ca 0.06 0.74 -0.31 0.00 -0.03 0.00 0.00 56.01 56.48 1wx9 n LEU 57 Cb 0.48 -1.46 0.19 0.00 -2.33 0.00 0.00 43.42 40.30 1wx9 n LEU 57 CO 0.66 -0.13 0.35 0.00 -1.33 0.00 0.00 177.39 176.93 1wx9 n GLN 58 N 7.56 -1.15 -0.06 3.23 3.00 -1.26 -4.73 117.38 123.97 1wx9 n GLN 58 Ca 0.25 -0.29 -0.03 0.00 -0.01 0.00 0.00 57.00 56.92 1wx9 n GLN 58 Cb 0.37 -2.15 -0.02 0.00 0.00 0.00 0.00 30.24 28.44 1wx9 n GLN 58 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1wx9 h ASP 59 N -2.09 0.00 -0.77 1.08 2.03 -1.95 -3.32 116.42 111.39 1wx9 h ASP 59 Ca -0.50 -0.07 0.22 0.00 -0.73 0.00 0.00 57.03 55.96 1wx9 h ASP 59 Cb 1.30 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.77 1wx9 h ASP 59 CO 0.42 0.65 0.67 0.44 -1.03 0.00 0.00 179.24 180.39 1wx9 h ASP 60 N -1.00 0.00 -3.96 4.15 5.19 -1.98 -2.91 116.42 115.91 1wx9 h ASP 60 Ca -0.01 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.92 1wx9 h ASP 60 Cb 0.27 0.00 0.16 0.00 0.18 0.00 0.00 39.33 39.95 1wx9 h ASP 60 CO -0.01 0.00 0.21 -0.54 -3.12 0.00 0.00 179.24 175.78 1wx9 s LYS 61 N -4.76 0.84 0.20 3.56 -0.14 -1.25 -4.77 119.74 113.43 1wx9 s LYS 61 Ca -0.04 0.88 0.11 0.00 -1.36 0.00 0.00 55.97 55.55 1wx9 s LYS 61 Cb 0.18 -1.76 -0.04 0.00 -1.68 0.00 0.00 37.83 34.53 1wx9 s LYS 61 CO 0.65 -2.54 -0.22 0.15 -0.76 0.00 0.00 175.35 172.63 1wx9 s LYS 62 N -4.84 1.49 0.08 1.68 1.02 -1.26 -0.02 119.74 117.89 1wx9 s LYS 62 Ca 0.65 -1.53 -0.36 0.00 0.02 0.00 0.00 55.97 54.74 1wx9 s LYS 62 Cb -0.20 -1.74 -0.18 0.00 -0.52 0.00 0.00 37.83 35.20 1wx9 s LYS 62 CO 0.58 0.37 1.57 -0.07 -0.92 0.00 0.00 175.35 176.88 1wx9 h LEU 63 N 3.11 -1.28 -0.87 3.17 -0.00 -1.78 -2.60 115.31 115.06 1wx9 h LEU 63 Ca -0.45 0.09 0.16 0.00 -0.00 0.00 0.00 57.88 57.68 1wx9 h LEU 63 Cb 1.21 0.40 -0.16 0.00 -0.00 0.00 0.00 40.66 42.11 1wx9 h LEU 63 CO 0.50 -0.70 -0.29 -0.61 -0.00 0.00 0.00 178.44 177.33 1wx9 h GLN 64 N -1.10 -0.03 -0.86 1.13 4.15 -1.85 0.28 115.11 116.83 1wx9 h GLN 64 Ca -0.08 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.47 1wx9 h GLN 64 Cb 0.91 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 28.47 1wx9 h GLN 64 CO 0.03 -0.02 -0.41 0.93 -1.93 0.00 0.00 178.83 177.43 1wx9 h GLU 65 N -0.03 -0.06 0.00 1.69 4.39 -1.79 1.42 114.58 120.20 1wx9 h GLU 65 Ca 0.37 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.03 1wx9 h GLU 65 Cb 0.62 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1wx9 h GLU 65 CO -0.90 -0.04 -0.21 1.88 -1.16 0.00 0.00 179.01 178.58 1wx9 h TYR 66 N -0.07 0.00 -1.86 4.33 0.05 -0.38 -3.47 116.97 115.58 1wx9 h TYR 66 Ca 0.28 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.01 1wx9 h TYR 66 Cb 0.56 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.32 1wx9 h TYR 66 CO -0.82 0.21 -0.10 -1.71 -1.05 0.00 0.00 178.16 174.69 1wx9 n ASN 67 N -3.75 -2.47 -0.87 3.88 2.85 0.49 -4.93 115.26 110.46 1wx9 n ASN 67 Ca -0.02 -0.08 0.04 0.00 -0.11 0.00 0.00 54.58 54.42 1wx9 n ASN 67 Cb 0.32 -1.12 0.17 0.00 1.24 0.00 0.00 39.78 40.38 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 -2.52 0.84 -1.63 3.44 0.24 -1.20 -4.80 118.33 112.70 1wx9 n VAL 68 Ca -0.01 -0.54 -0.44 0.00 -2.04 0.00 0.00 64.34 61.32 1wx9 n VAL 68 Cb 0.51 -0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.67 1.44 2.74 7.63 0.00 -1.25 -0.37 105.19 116.04 1wx9 n GLY 69 Ca 0.12 0.82 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 5.07 0.16 3.98 -0.02 0.00 0.36 -4.92 105.19 109.82 1wx9 n GLY 70 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.35 1.69 -0.23 1.61 -0.14 0.50 -4.87 119.74 116.95 1wx9 s LYS 71 Ca 0.00 -0.89 -0.02 0.00 -1.36 0.00 0.00 55.97 53.69 1wx9 s LYS 71 Cb 0.00 -2.27 0.01 0.00 -1.68 0.00 0.00 37.83 33.89 1wx9 s LYS 71 CO 0.00 -1.47 -0.07 0.08 -0.76 0.00 0.00 175.35 173.13 1wx9 s VAL 72 N -3.21 2.98 0.55 3.17 1.01 -1.26 -2.46 120.40 121.17 1wx9 s VAL 72 Ca 0.66 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1wx9 s VAL 72 Cb -0.06 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.96 1wx9 s VAL 72 CO 0.45 0.33 0.75 -0.63 0.00 0.00 0.00 175.10 176.00 1wx9 s ILE 73 N 1.38 2.48 -0.41 2.22 1.01 -1.21 -4.91 121.20 121.76 1wx9 s ILE 73 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1wx9 s ILE 73 Cb -0.15 -2.59 0.12 0.00 0.01 0.00 0.00 42.46 39.85 1wx9 s ILE 73 CO -0.05 0.00 0.20 -1.00 0.00 0.00 0.00 174.94 174.08 1wx9 s HIS 74 N -2.66 2.20 0.43 3.97 3.76 0.47 -2.46 115.29 121.00 1wx9 s HIS 74 Ca 0.60 -2.41 -0.15 0.00 -0.15 0.00 0.00 55.06 52.95 1wx9 s HIS 74 Cb -0.08 -2.04 -0.08 0.00 1.11 0.00 0.00 32.58 31.50 1wx9 s HIS 74 CO 0.38 -0.81 0.86 -1.17 -0.85 0.00 0.00 174.74 173.15 1wx9 s LEU 75 N 0.59 3.82 -0.02 0.89 2.96 -1.24 -0.94 118.68 124.74 1wx9 s LEU 75 Ca 0.15 1.40 -0.03 0.00 -0.22 0.00 0.00 54.13 55.43 1wx9 s LEU 75 Cb -0.23 -4.28 0.00 0.00 0.50 0.00 0.00 46.19 42.19 1wx9 s LEU 75 CO -0.05 -0.42 0.08 0.68 -1.32 0.00 0.00 176.35 175.32 1wx9 s VAL 76 N -2.35 0.03 -0.10 1.68 -7.23 -1.23 -4.49 120.40 106.70 1wx9 s VAL 76 Ca 0.56 -0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 1wx9 s VAL 76 Cb -0.10 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1wx9 s VAL 76 CO 0.26 -0.13 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.09 1wx9 s GLU 77 N -0.38 3.07 0.12 4.82 2.12 -1.26 -2.60 118.70 124.59 1wx9 s GLU 77 Ca -0.04 -0.68 -0.31 0.00 0.36 0.00 0.00 54.97 54.30 1wx9 s GLU 77 Cb -0.03 -2.55 -0.08 0.00 0.26 0.00 0.00 34.13 31.73 1wx9 s GLU 77 CO 0.00 0.37 1.31 1.03 -0.54 0.00 0.00 175.26 177.44 1wx9 s ARG 78 N -0.07 4.37 -0.30 4.30 0.52 -1.20 -5.00 118.95 121.58 1wx9 s ARG 78 Ca -0.02 1.98 -0.12 0.00 -0.52 0.00 0.00 55.73 57.05 1wx9 s ARG 78 Cb -0.14 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 1wx9 s ARG 78 CO 0.04 -0.33 0.24 0.00 0.02 0.00 0.00 175.30 175.26 1wx9 s ALA 79 N 0.83 3.52 -1.10 2.13 0.00 -1.26 -4.99 121.76 120.90 1wx9 s ALA 79 Ca 0.61 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 1wx9 s ALA 79 Cb -0.35 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1wx9 s ALA 79 CO 0.32 -0.74 2.07 -0.35 0.00 0.00 0.00 175.76 177.06 1wx9 n PRO 80 N 5.14 2.14 0.00 0.00 -0.04 -1.26 -4.73 135.00 136.25 1wx9 n PRO 80 Ca -0.12 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1wx9 n PRO 80 Cb 0.51 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 1wx9 n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wx9 n SER 81 N 6.82 0.00 0.00 3.54 2.88 -1.26 -5.09 113.62 120.51 1wx9 n SER 81 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1wx9 n SER 81 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.22 2.04 2.77 0.46 0.00 -1.26 -4.95 105.19 104.02 1wx9 n GLY 82 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 2.36 -3.53 1.61 -0.04 -1.26 -4.76 135.00 129.38 1wx9 n PRO 83 Ca 0.00 -2.05 -0.08 0.00 -0.04 0.00 0.00 63.50 61.34 1wx9 n PRO 83 Cb 0.00 -2.91 -0.02 0.00 -0.04 0.00 0.00 33.50 30.53 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 3.70 -0.33 0.26 3.54 0.15 -1.26 -5.14 113.70 114.62 1wx9 s SER 84 Ca 0.52 -0.04 -0.27 0.00 0.70 0.00 0.00 55.95 56.86 1wx9 s SER 84 Cb 0.14 0.38 -0.16 0.00 -1.71 0.00 0.00 66.02 64.67 1wx9 s SER 84 CO -0.00 -0.63 0.63 -0.24 1.20 0.00 0.00 173.24 174.20 1wx9 n SER 85 N -0.26 -0.58 0.00 5.45 2.88 -1.26 -5.16 113.62 114.68 1wx9 n SER 85 Ca -0.08 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1wx9 n SER 85 Cb 0.62 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42