#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdx s GLU 6 N 0.00 4.47 0.15 -0.52 0.41 -1.26 -4.99 118.70 116.95 1wdx s GLU 6 Ca 0.00 1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 55.29 1wdx s GLU 6 Cb 0.00 -3.33 -0.07 0.00 -1.78 0.00 0.00 34.13 28.95 1wdx s GLU 6 CO 0.00 0.38 0.90 0.54 -0.49 0.00 0.00 175.26 176.59 1wdx s VAL 7 N -0.38 4.39 0.45 2.63 0.11 -1.26 -3.68 120.40 122.66 1wdx s VAL 7 Ca 0.36 1.97 -0.07 0.00 -2.93 0.00 0.00 61.98 61.31 1wdx s VAL 7 Cb -0.21 -4.27 -0.05 0.00 -1.53 0.00 0.00 36.38 30.32 1wdx s VAL 7 CO 0.23 0.40 0.77 -2.16 -3.33 0.00 0.00 175.10 171.01 1wdx s PRO 8 N -0.50 3.62 0.08 1.54 0.04 -1.26 -5.10 135.00 133.43 1wdx s PRO 8 Ca 0.43 0.28 -0.06 0.00 0.04 0.00 0.00 61.00 61.69 1wdx s PRO 8 Cb -0.24 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 1wdx s PRO 8 CO 0.29 -0.13 0.11 -0.59 0.04 0.00 0.00 177.00 176.72 1wdx s PHE 9 N -2.59 0.32 0.10 0.56 -0.12 -1.04 -4.98 117.98 110.23 1wdx s PHE 9 Ca 0.49 -0.79 -0.14 0.00 -0.05 0.00 0.00 56.93 56.43 1wdx s PHE 9 Cb -0.10 -0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.03 1wdx s PHE 9 CO 0.40 -0.49 0.51 0.15 -0.05 0.00 0.00 175.22 175.73 1wdx s LYS 10 N -3.89 3.97 0.04 1.99 1.02 -1.26 -1.22 119.74 120.38 1wdx s LYS 10 Ca 0.07 0.46 -0.04 0.00 0.02 0.00 0.00 55.97 56.48 1wdx s LYS 10 Cb 0.06 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1wdx s LYS 10 CO -0.10 0.55 0.07 0.14 -0.92 0.00 0.00 175.35 175.09 1wdx s VAL 11 N -1.34 0.14 -0.18 3.17 -7.23 -0.27 -4.72 120.40 109.97 1wdx s VAL 11 Ca 0.33 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1wdx s VAL 11 Cb -0.16 -0.93 0.03 0.00 0.56 0.00 0.00 36.38 35.88 1wdx s VAL 11 CO 0.18 -0.65 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.47 1wdx s VAL 12 N -2.71 1.86 -0.09 1.32 1.01 -0.74 -0.44 120.40 120.61 1wdx s VAL 12 Ca -0.04 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 1wdx s VAL 12 Cb -0.01 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.53 1wdx s VAL 12 CO -0.05 0.39 2.06 0.00 0.00 0.00 0.00 175.10 177.50 1wdx s ALA 13 N 1.34 3.19 0.13 5.51 0.00 -0.05 -1.84 121.76 130.04 1wdx s ALA 13 Ca 0.02 1.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 1wdx s ALA 13 Cb -0.14 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 18.97 1wdx s ALA 13 CO -0.11 -2.14 1.36 1.96 0.00 0.00 0.00 175.76 176.84 1wdx h GLN 14 N 12.58 0.63 -4.89 0.00 1.08 -1.56 0.24 115.11 123.19 1wdx h GLN 14 Ca -0.45 -0.52 -0.36 0.00 -1.45 0.00 0.00 58.65 55.87 1wdx h GLN 14 Cb 1.23 0.11 -0.24 0.00 -0.05 0.00 0.00 27.48 28.53 1wdx h GLN 14 CO 0.95 1.14 -0.77 -0.06 -0.95 0.00 0.00 178.83 179.14 1wdx s PHE 15 N -3.70 0.91 0.27 2.96 0.08 -1.16 -4.64 117.98 112.71 1wdx s PHE 15 Ca -0.08 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.31 1wdx s PHE 15 Cb 0.09 -0.54 -0.10 0.00 -0.57 0.00 0.00 43.02 41.90 1wdx s PHE 15 CO 0.88 -0.01 1.44 -1.25 -0.10 0.00 0.00 175.22 176.18 1wdx s PRO 16 N -1.15 4.26 -0.23 0.24 0.04 -1.26 -4.68 135.00 132.22 1wdx s PRO 16 Ca -0.02 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 1wdx s PRO 16 Cb -0.08 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1wdx s PRO 16 CO 0.01 -0.42 -0.05 -0.47 0.04 0.00 0.00 177.00 176.11 1wdx s TYR 17 N -0.21 2.99 -0.22 0.56 5.04 -0.82 -4.97 117.35 119.71 1wdx s TYR 17 Ca 0.58 -1.14 -0.04 0.00 -2.44 0.00 0.00 57.07 54.03 1wdx s TYR 17 Cb -0.42 -2.09 0.07 0.00 0.35 0.00 0.00 41.96 39.87 1wdx s TYR 17 CO 0.46 -0.61 0.09 0.21 -1.34 0.00 0.00 175.55 174.35 1wdx s LYS 18 N 1.43 0.32 0.49 4.97 2.47 -1.26 -1.33 119.74 126.83 1wdx s LYS 18 Ca 0.04 -0.38 0.02 0.00 -1.56 0.00 0.00 55.97 54.09 1wdx s LYS 18 Cb -0.15 -1.76 -0.01 0.00 -1.46 0.00 0.00 37.83 34.45 1wdx s LYS 18 CO -0.04 -0.78 0.05 -1.54 0.16 0.00 0.00 175.35 173.21 1wdx s SER 19 N 2.00 3.72 0.00 1.43 1.04 -1.26 -5.07 113.70 115.57 1wdx s SER 19 Ca 0.04 -1.71 0.20 0.00 0.48 0.00 0.00 55.95 54.95 1wdx s SER 19 Cb -0.16 0.65 0.25 0.00 0.10 0.00 0.00 66.02 66.85 1wdx s SER 19 CO -0.17 -0.94 1.21 0.47 0.98 0.00 0.00 173.24 174.79 1wdx n ASP 20 N -1.36 2.90 -4.91 7.02 8.00 -1.26 -5.01 116.55 121.92 1wdx n ASP 20 Ca -0.16 -1.87 -0.29 0.00 0.71 0.00 0.00 54.79 53.18 1wdx n ASP 20 Cb 0.66 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 1wdx n ASP 20 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wdx s TYR 21 N -1.51 3.48 -0.13 1.24 2.02 -1.26 -5.03 117.35 116.16 1wdx s TYR 21 Ca 0.28 0.50 -0.25 0.00 -0.37 0.00 0.00 57.07 57.22 1wdx s TYR 21 Cb 0.18 -1.97 -0.22 0.00 -0.40 0.00 0.00 41.96 39.54 1wdx s TYR 21 CO 0.26 0.33 0.70 1.49 -1.57 0.00 0.00 175.55 176.76 1wdx h GLU 22 N 2.14 -0.01 -0.53 -0.62 4.57 -2.02 -3.28 114.58 114.83 1wdx h GLU 22 Ca -0.47 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 57.86 1wdx h GLU 22 Cb 1.18 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1wdx h GLU 22 CO 0.69 0.82 0.47 -0.44 -1.18 0.00 0.00 179.01 179.37 1wdx h ASP 23 N -0.97 0.00 -3.53 1.04 3.32 -1.96 -3.43 116.42 110.89 1wdx h ASP 23 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1wdx h ASP 23 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1wdx h ASP 23 CO 0.00 0.00 0.41 -1.81 -1.72 0.00 0.00 179.24 176.12 1wdx s ASP 24 N -5.55 7.39 -0.23 6.45 1.11 -1.24 -1.89 116.67 122.72 1wdx s ASP 24 Ca -0.05 1.89 -0.28 0.00 0.18 0.00 0.00 52.55 54.30 1wdx s ASP 24 Cb 0.17 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.58 1wdx s ASP 24 CO 0.63 -0.15 1.01 -0.22 1.18 0.00 0.00 175.17 177.62 1wdx s LEU 25 N 0.00 4.10 0.29 1.23 2.96 -0.76 -4.76 118.68 121.75 1wdx s LEU 25 Ca 0.49 1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 55.71 1wdx s LEU 25 Cb -0.25 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1wdx s LEU 25 CO 0.31 -0.64 0.51 0.20 -1.32 0.00 0.00 176.35 175.41 1wdx s ASN 26 N 1.22 6.36 0.19 3.68 0.01 -1.26 -4.70 114.94 120.45 1wdx s ASN 26 Ca 0.43 0.52 -0.24 0.00 -0.71 0.00 0.00 52.86 52.86 1wdx s ASN 26 Cb -0.15 -2.06 0.05 0.00 0.41 0.00 0.00 41.25 39.50 1wdx s ASN 26 CO 0.06 -0.20 0.85 0.72 -1.51 0.00 0.00 177.10 177.02 1wdx s PHE 27 N -2.14 -0.18 0.52 2.20 -0.12 -0.44 -4.99 117.98 112.84 1wdx s PHE 27 Ca 0.41 -0.17 0.09 0.00 -0.05 0.00 0.00 56.93 57.21 1wdx s PHE 27 Cb -0.10 0.66 0.06 0.00 -0.63 0.00 0.00 43.02 43.00 1wdx s PHE 27 CO 0.32 -0.97 0.72 -1.21 -0.05 0.00 0.00 175.22 174.04 1wdx s GLU 28 N -3.53 2.48 0.62 1.99 0.41 -1.26 -1.95 118.70 117.46 1wdx s GLU 28 Ca 0.11 -1.49 -0.18 0.00 -0.41 0.00 0.00 54.97 52.99 1wdx s GLU 28 Cb -0.03 -2.68 -0.02 0.00 -1.78 0.00 0.00 34.13 29.61 1wdx s GLU 28 CO 0.03 -0.66 1.25 0.21 -0.49 0.00 0.00 175.26 175.59 1wdx s LYS 29 N -4.56 2.78 -0.73 1.61 2.20 -1.26 -3.20 119.74 116.57 1wdx s LYS 29 Ca 0.60 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1wdx s LYS 29 Cb -0.07 -1.89 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1wdx s LYS 29 CO 0.37 -1.39 0.00 -0.25 -0.36 0.00 0.00 175.35 173.72 1wdx n ASP 30 N -1.73 -5.44 -4.72 1.43 8.00 0.84 -4.96 116.55 109.96 1wdx n ASP 30 Ca 0.15 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 1wdx n ASP 30 Cb 0.49 -3.55 -0.03 0.00 -0.02 0.00 0.00 41.12 38.01 1wdx n ASP 30 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wdx s GLN 31 N -2.42 4.47 0.02 -1.24 2.00 -1.20 -4.68 119.66 116.61 1wdx s GLN 31 Ca 0.00 1.71 -0.25 0.00 -2.00 0.00 0.00 55.36 54.83 1wdx s GLN 31 Cb 0.00 -3.36 -0.05 0.00 0.80 0.00 0.00 33.01 30.40 1wdx s GLN 31 CO 0.00 -0.19 0.76 -2.00 -0.50 0.00 0.00 175.29 173.36 1wdx s GLU 32 N 0.91 4.48 -0.02 1.67 2.12 -1.26 -0.88 118.70 125.73 1wdx s GLU 32 Ca 0.57 1.04 -0.01 0.00 0.36 0.00 0.00 54.97 56.94 1wdx s GLU 32 Cb -0.28 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.74 1wdx s GLU 32 CO 0.30 0.22 0.04 0.42 -0.54 0.00 0.00 175.26 175.70 1wdx s ILE 33 N 0.18 -0.04 -0.31 -3.70 1.01 0.42 -4.77 121.20 113.99 1wdx s ILE 33 Ca 0.39 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 1wdx s ILE 33 Cb -0.20 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1wdx s ILE 33 CO 0.22 0.06 0.46 -0.63 0.00 0.00 0.00 174.94 175.05 1wdx s ILE 34 N 0.73 5.08 -0.15 2.92 1.01 -0.36 -1.11 121.20 129.32 1wdx s ILE 34 Ca -0.06 0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.75 1wdx s ILE 34 Cb -0.08 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 1wdx s ILE 34 CO -0.02 -0.05 1.14 -0.69 0.00 0.00 0.00 174.94 175.31 1wdx s VAL 35 N 2.25 4.48 -0.04 2.92 1.01 -0.36 -1.30 120.40 129.36 1wdx s VAL 35 Ca 0.17 1.78 0.20 0.00 0.00 0.00 0.00 61.98 64.13 1wdx s VAL 35 Cb -0.16 -4.15 -0.30 0.00 0.00 0.00 0.00 36.38 31.77 1wdx s VAL 35 CO 0.11 -0.10 0.40 0.35 0.00 0.00 0.00 175.10 175.86 1wdx n THR 36 N 5.07 0.14 -3.65 3.92 -2.24 -0.34 -2.50 114.28 114.67 1wdx n THR 36 Ca 0.12 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.26 1wdx n THR 36 Cb 0.46 -0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 1wdx n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wdx s SER 37 N -4.41 -0.50 -0.51 3.42 1.04 -1.03 -4.76 113.70 106.96 1wdx s SER 37 Ca -0.08 0.70 -0.22 0.00 0.48 0.00 0.00 55.95 56.83 1wdx s SER 37 Cb 0.12 0.71 0.04 0.00 0.10 0.00 0.00 66.02 66.99 1wdx s SER 37 CO 0.82 -0.40 0.79 -0.69 0.98 0.00 0.00 173.24 174.74 1wdx s VAL 38 N -0.64 4.63 0.04 5.02 1.01 -1.26 0.00 120.40 129.19 1wdx s VAL 38 Ca -0.07 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 1wdx s VAL 38 Cb -0.03 -4.39 -0.15 0.00 0.00 0.00 0.00 36.38 31.81 1wdx s VAL 38 CO 0.05 -0.89 1.41 -0.33 0.00 0.00 0.00 175.10 175.34 1wdx h GLU 39 N 9.11 0.22 0.00 2.72 4.39 -1.60 -3.49 114.58 125.93 1wdx h GLU 39 Ca -0.26 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1wdx h GLU 39 Cb 1.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1wdx h GLU 39 CO 1.01 0.53 0.00 -0.40 -1.16 0.00 0.00 179.01 178.99 1wdx n ASP 40 N -4.74 0.00 0.09 1.42 5.68 -1.17 -5.02 116.55 112.80 1wdx n ASP 40 Ca -0.06 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.16 1wdx n ASP 40 Cb 0.25 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.29 1wdx n ASP 40 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wdx h ALA 41 N 1.70 0.69 -0.02 2.12 0.00 -2.04 -3.32 119.26 118.39 1wdx h ALA 41 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1wdx h ALA 41 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wdx h ALA 41 CO 0.00 0.84 -0.05 0.39 0.00 0.00 0.00 179.25 180.43 1wdx n GLU 42 N -3.74 1.18 -3.66 0.00 1.02 -1.26 -4.92 120.64 109.25 1wdx n GLU 42 Ca -0.03 -1.25 -0.26 0.00 -0.02 0.00 0.00 57.16 55.61 1wdx n GLU 42 Cb 0.72 -1.26 -0.17 0.00 -0.02 0.00 0.00 31.44 30.70 1wdx n GLU 42 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wdx s TRP 43 N -1.31 0.46 0.79 -0.32 0.52 -1.25 -2.01 118.94 115.83 1wdx s TRP 43 Ca 0.16 -0.42 -0.12 0.00 0.02 0.00 0.00 56.10 55.74 1wdx s TRP 43 Cb 0.12 -0.78 0.07 0.00 -1.15 0.00 0.00 33.47 31.73 1wdx s TRP 43 CO 0.21 -0.50 1.13 0.71 0.02 0.00 0.00 176.95 178.53 1wdx s TYR 44 N 2.05 2.97 -0.04 -1.98 2.02 -0.24 -1.66 117.35 120.47 1wdx s TYR 44 Ca 0.02 0.92 0.03 0.00 -0.37 0.00 0.00 57.07 57.67 1wdx s TYR 44 Cb -0.16 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 1wdx s TYR 44 CO -0.08 -1.70 -0.11 0.12 -1.57 0.00 0.00 175.55 172.21 1wdx s PHE 45 N -3.39 1.20 0.11 2.71 5.36 0.10 -1.64 117.98 122.43 1wdx s PHE 45 Ca 0.61 -0.34 -0.25 0.00 -0.96 0.00 0.00 56.93 55.99 1wdx s PHE 45 Cb -0.12 -0.85 0.08 0.00 -0.34 0.00 0.00 43.02 41.79 1wdx s PHE 45 CO 0.51 -0.15 1.12 0.20 -1.46 0.00 0.00 175.22 175.45 1wdx s GLY 46 N 0.27 -0.03 0.13 13.12 0.00 -0.85 -1.20 107.32 118.76 1wdx s GLY 46 Ca -0.06 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1wdx s GLY 46 CO 0.01 2.88 0.01 -1.83 0.00 0.00 0.00 173.10 174.17 1wdx s GLU 47 N -2.25 0.95 0.13 2.90 -1.05 -0.42 -1.52 118.70 117.46 1wdx s GLU 47 Ca 0.22 -1.44 -0.14 0.00 -0.15 0.00 0.00 54.97 53.47 1wdx s GLU 47 Cb -0.01 -0.03 0.02 0.00 -0.44 0.00 0.00 34.13 33.67 1wdx s GLU 47 CO 0.03 -0.16 0.36 1.52 0.95 0.00 0.00 175.26 177.96 1wdx s TYR 48 N -3.81 -0.03 -0.51 4.83 -0.85 -0.90 -1.22 117.35 114.85 1wdx s TYR 48 Ca 0.20 -0.33 -0.24 0.00 -0.52 0.00 0.00 57.07 56.19 1wdx s TYR 48 Cb 0.07 0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.61 1wdx s TYR 48 CO 0.00 -0.71 0.89 -1.14 -1.52 0.00 0.00 175.55 173.08 1wdx s GLN 49 N -3.85 3.37 1.38 -3.49 0.74 -1.26 -1.79 119.66 114.75 1wdx s GLN 49 Ca 0.06 -0.20 -0.23 0.00 0.05 0.00 0.00 55.36 55.05 1wdx s GLN 49 Cb 0.02 -4.01 0.35 0.00 1.10 0.00 0.00 33.01 30.47 1wdx s GLN 49 CO -0.09 -1.36 0.98 0.16 -0.55 0.00 0.00 175.29 174.43 1wdx s ASP 50 N 2.61 -0.68 0.43 6.67 1.47 -0.19 -4.82 116.67 122.16 1wdx s ASP 50 Ca 0.31 0.73 0.12 0.00 1.18 0.00 0.00 52.55 54.89 1wdx s ASP 50 Cb -0.12 -1.01 0.93 0.00 -0.34 0.00 0.00 42.92 42.38 1wdx s ASP 50 CO 0.21 -5.11 1.98 0.28 0.68 0.00 0.00 175.17 173.20 1wdx h SER 51 N -3.25 0.12 0.48 2.11 0.02 -1.97 -1.81 113.55 109.24 1wdx h SER 51 Ca -0.42 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1wdx h SER 51 Cb 1.32 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1wdx h SER 51 CO 0.27 0.25 0.00 0.59 -1.14 0.00 0.00 176.83 176.81 1wdx n ASN 52 N -4.33 0.00 0.00 3.07 3.02 -1.26 -4.87 115.26 110.88 1wdx n ASN 52 Ca -0.01 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1wdx n ASN 52 Cb 0.23 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1wdx n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdx n GLY 53 N 0.05 1.70 3.78 7.41 0.00 -0.68 -5.04 105.19 112.40 1wdx n GLY 53 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1wdx n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wdx s ASP 54 N -2.83 6.87 0.20 1.61 1.01 -1.26 -4.76 116.67 117.51 1wdx s ASP 54 Ca 0.00 2.04 -0.26 0.00 0.71 0.00 0.00 52.55 55.03 1wdx s ASP 54 Cb 0.00 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1wdx s ASP 54 CO 0.00 -0.41 0.82 -0.69 0.21 0.00 0.00 175.17 175.10 1wdx s VAL 55 N -1.61 4.29 -0.04 -1.27 1.01 -1.26 -1.02 120.40 120.50 1wdx s VAL 55 Ca 0.56 1.79 0.01 0.00 0.00 0.00 0.00 61.98 64.34 1wdx s VAL 55 Cb -0.22 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1wdx s VAL 55 CO 0.28 0.49 -0.05 0.27 0.00 0.00 0.00 175.10 176.09 1wdx s ILE 56 N -1.20 0.55 0.31 2.22 -4.36 -0.74 -4.93 121.20 113.06 1wdx s ILE 56 Ca 0.38 -0.15 0.06 0.00 -0.26 0.00 0.00 60.65 60.68 1wdx s ILE 56 Cb -0.23 -0.56 -0.06 0.00 1.25 0.00 0.00 42.46 42.85 1wdx s ILE 56 CO 0.27 0.22 -0.01 -1.83 0.24 0.00 0.00 174.94 173.84 1wdx s GLU 57 N 0.80 1.65 0.00 0.37 -1.05 -1.26 -2.13 118.70 117.08 1wdx s GLU 57 Ca -0.11 -1.88 0.00 0.00 -0.15 0.00 0.00 54.97 52.83 1wdx s GLU 57 Cb -0.14 -1.12 0.00 0.00 -0.44 0.00 0.00 34.13 32.43 1wdx s GLU 57 CO 0.00 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1wdx n GLY 58 N -0.68 2.87 3.80 -3.83 0.00 -0.57 -4.34 105.19 102.44 1wdx n GLY 58 Ca -0.04 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 1wdx n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wdx s ILE 59 N -2.00 4.39 0.07 -0.61 -4.36 -0.79 -2.00 121.20 115.89 1wdx s ILE 59 Ca 0.00 1.56 -0.07 0.00 -0.26 0.00 0.00 60.65 61.87 1wdx s ILE 59 Cb 0.00 -3.93 -0.01 0.00 1.25 0.00 0.00 42.46 39.77 1wdx s ILE 59 CO 0.00 0.16 0.14 0.72 0.24 0.00 0.00 174.94 176.21 1wdx s PHE 60 N -1.59 0.19 0.32 1.37 -0.12 -0.65 -1.82 117.98 115.69 1wdx s PHE 60 Ca 0.47 -0.58 -0.29 0.00 -0.05 0.00 0.00 56.93 56.48 1wdx s PHE 60 Cb -0.17 -0.11 -0.10 0.00 -0.63 0.00 0.00 43.02 42.00 1wdx s PHE 60 CO 0.22 -0.47 1.36 -2.14 -0.05 0.00 0.00 175.22 174.14 1wdx s PRO 61 N -3.41 4.30 0.42 1.99 0.02 -1.26 -1.07 135.00 135.98 1wdx s PRO 61 Ca 0.02 2.30 0.20 0.00 0.02 0.00 0.00 61.00 63.53 1wdx s PRO 61 Cb 0.03 -3.06 0.92 0.00 0.02 0.00 0.00 34.50 32.41 1wdx s PRO 61 CO -0.08 -0.29 1.86 0.87 -0.33 0.00 0.00 177.00 179.02 1wdx h LYS 62 N 3.60 0.00 0.00 5.54 1.57 -1.76 -3.03 116.57 122.50 1wdx h LYS 62 Ca -0.49 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 1wdx h LYS 62 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 1wdx h LYS 62 CO 0.67 0.29 -0.36 0.66 -0.57 0.00 0.00 179.45 180.15 1wdx h SER 63 N 0.00 0.00 -0.03 0.86 4.64 -1.92 -2.96 113.55 114.14 1wdx h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wdx h SER 63 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1wdx h SER 63 CO 0.04 0.36 0.00 0.49 -0.87 0.00 0.00 176.83 176.85 1wdx n PHE 64 N -3.75 0.04 -4.30 4.77 3.72 -1.14 -4.81 117.46 111.98 1wdx n PHE 64 Ca -0.01 -0.02 -0.16 0.00 -0.05 0.00 0.00 57.45 57.21 1wdx n PHE 64 Cb 0.45 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 1wdx n PHE 64 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1wdx s VAL 65 N -1.96 1.14 -0.02 -4.37 -7.23 -1.12 -1.42 120.40 105.41 1wdx s VAL 65 Ca 0.37 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 1wdx s VAL 65 Cb 0.18 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 1wdx s VAL 65 CO 0.29 -0.50 -0.21 0.00 -0.31 0.00 0.00 175.10 174.37 1wdx s ALA 66 N -3.35 1.76 -2.00 1.32 0.00 -0.77 -4.83 121.76 113.89 1wdx s ALA 66 Ca 0.24 -0.90 0.24 0.00 0.00 0.00 0.00 51.96 51.54 1wdx s ALA 66 Cb 0.04 -0.47 1.46 0.00 0.00 0.00 0.00 23.12 24.15 1wdx s ALA 66 CO 0.06 0.41 1.82 0.28 0.00 0.00 0.00 175.76 178.33