#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdx n GLU 6 N 0.00 2.55 -2.87 -0.52 -0.58 -1.26 -4.89 120.64 113.07 1wdx n GLU 6 Ca 0.00 0.90 -0.39 0.00 -0.42 0.00 0.00 57.16 57.25 1wdx n GLU 6 Cb 0.00 -2.65 -0.06 0.00 -0.57 0.00 0.00 31.44 28.16 1wdx n GLU 6 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wdx s VAL 7 N -0.20 4.24 0.83 2.62 1.01 -1.26 -3.86 120.40 123.78 1wdx s VAL 7 Ca 0.63 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 64.33 1wdx s VAL 7 Cb -0.53 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 31.78 1wdx s VAL 7 CO 0.51 0.43 1.18 -2.16 0.00 0.00 0.00 175.10 175.06 1wdx s PRO 8 N -1.38 1.80 0.36 2.72 0.04 -1.26 -5.10 135.00 132.19 1wdx s PRO 8 Ca 0.41 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.50 1wdx s PRO 8 Cb -0.23 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1wdx s PRO 8 CO 0.28 -1.71 0.56 -0.59 0.04 0.00 0.00 177.00 175.58 1wdx s PHE 9 N -3.56 0.81 -0.04 0.56 -0.12 -0.94 -4.98 117.98 109.71 1wdx s PHE 9 Ca 0.63 -1.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 1wdx s PHE 9 Cb -0.11 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 1wdx s PHE 9 CO 0.50 -1.26 -0.04 0.15 -0.05 0.00 0.00 175.22 174.51 1wdx s LYS 10 N -2.83 2.77 0.07 1.99 1.02 -1.26 -0.74 119.74 120.76 1wdx s LYS 10 Ca 0.26 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1wdx s LYS 10 Cb -0.02 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1wdx s LYS 10 CO 0.18 0.65 -0.06 0.14 -0.92 0.00 0.00 175.35 175.35 1wdx s VAL 11 N -0.92 0.53 -0.09 3.17 -7.23 -0.83 -4.52 120.40 110.51 1wdx s VAL 11 Ca 0.15 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1wdx s VAL 11 Cb -0.11 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.44 1wdx s VAL 11 CO 0.05 -0.80 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.15 1wdx s VAL 12 N -3.21 1.71 -0.16 1.32 1.01 -0.80 -1.18 120.40 119.09 1wdx s VAL 12 Ca 0.06 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 1wdx s VAL 12 Cb 0.03 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 1wdx s VAL 12 CO -0.05 0.48 2.06 0.00 0.00 0.00 0.00 175.10 177.59 1wdx s ALA 13 N 0.56 3.02 0.22 5.51 0.00 -0.77 -1.80 121.76 128.50 1wdx s ALA 13 Ca -0.15 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 1wdx s ALA 13 Cb -0.17 -3.99 0.19 0.00 0.00 0.00 0.00 23.12 19.16 1wdx s ALA 13 CO 0.05 -2.37 1.56 1.96 0.00 0.00 0.00 175.76 176.97 1wdx h GLN 14 N 13.26 0.53 -3.97 0.00 1.08 -0.77 -0.95 115.11 124.28 1wdx h GLN 14 Ca -0.42 -0.29 -0.12 0.00 -1.45 0.00 0.00 58.65 56.36 1wdx h GLN 14 Cb 1.22 0.02 -0.17 0.00 -0.05 0.00 0.00 27.48 28.51 1wdx h GLN 14 CO 0.96 0.88 -0.57 -0.06 -0.95 0.00 0.00 178.83 179.10 1wdx s PHE 15 N -4.13 0.31 -0.17 2.96 0.08 -1.09 -4.74 117.98 111.20 1wdx s PHE 15 Ca -0.07 -0.71 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 1wdx s PHE 15 Cb 0.12 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.32 1wdx s PHE 15 CO 0.83 -0.38 1.49 -1.25 -0.10 0.00 0.00 175.22 175.80 1wdx s PRO 16 N -3.13 4.05 -0.21 0.24 0.04 -1.26 -4.44 135.00 130.29 1wdx s PRO 16 Ca -0.00 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1wdx s PRO 16 Cb 0.02 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 1wdx s PRO 16 CO -0.07 -0.97 0.32 -0.47 0.04 0.00 0.00 177.00 175.85 1wdx s TYR 17 N 4.27 3.36 -0.05 0.56 5.04 -1.03 -4.96 117.35 124.55 1wdx s TYR 17 Ca 0.65 0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 55.76 1wdx s TYR 17 Cb -0.25 -2.44 0.04 0.00 0.35 0.00 0.00 41.96 39.66 1wdx s TYR 17 CO 0.24 0.03 0.11 0.21 -1.34 0.00 0.00 175.55 174.81 1wdx s LYS 18 N 1.16 0.06 0.22 4.97 2.47 -1.26 -1.74 119.74 125.62 1wdx s LYS 18 Ca 0.15 0.32 -0.10 0.00 -1.56 0.00 0.00 55.97 54.79 1wdx s LYS 18 Cb -0.14 -0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.03 1wdx s LYS 18 CO 0.07 -0.16 0.37 -1.54 0.16 0.00 0.00 175.35 174.24 1wdx s SER 19 N 1.11 -0.02 0.00 1.43 1.04 -1.26 -5.05 113.70 110.95 1wdx s SER 19 Ca -0.09 -1.01 0.21 0.00 0.48 0.00 0.00 55.95 55.54 1wdx s SER 19 Cb -0.12 0.51 0.70 0.00 0.10 0.00 0.00 66.02 67.22 1wdx s SER 19 CO -0.05 -1.03 1.52 0.47 0.98 0.00 0.00 173.24 175.13 1wdx n ASP 20 N -0.33 1.83 -4.89 7.02 8.00 -1.26 -4.95 116.55 121.96 1wdx n ASP 20 Ca -0.02 -1.74 -0.34 0.00 0.71 0.00 0.00 54.79 53.39 1wdx n ASP 20 Cb 0.63 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.76 3.57 0.00 1.24 2.02 -1.26 -5.02 117.35 116.14 1wdx s TYR 21 Ca 0.32 0.47 -0.21 0.00 -0.37 0.00 0.00 57.07 57.29 1wdx s TYR 21 Cb 0.18 -1.91 -0.21 0.00 -0.40 0.00 0.00 41.96 39.62 1wdx s TYR 21 CO 0.26 0.65 1.15 1.49 -1.57 0.00 0.00 175.55 177.53 1wdx h GLU 22 N 4.08 0.35 0.00 -0.62 4.57 -2.02 -3.21 114.58 117.72 1wdx h GLU 22 Ca -0.50 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.34 1wdx h GLU 22 Cb 1.20 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1wdx h GLU 22 CO 0.66 0.97 -0.10 -0.44 -1.18 0.00 0.00 179.01 178.92 1wdx h ASP 23 N -0.17 0.00 -3.55 1.04 3.32 -1.95 -3.43 116.42 111.67 1wdx h ASP 23 Ca -0.04 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.49 1wdx h ASP 23 Cb 1.07 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.68 1wdx h ASP 23 CO 0.08 0.10 0.71 -1.81 -1.72 0.00 0.00 179.24 176.60 1wdx s ASP 24 N -6.63 6.70 -0.33 6.45 1.11 -1.22 -1.45 116.67 121.32 1wdx s ASP 24 Ca -0.04 2.66 -0.19 0.00 0.18 0.00 0.00 52.55 55.16 1wdx s ASP 24 Cb 0.15 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.50 1wdx s ASP 24 CO 0.63 -0.64 0.55 -0.22 1.18 0.00 0.00 175.17 176.67 1wdx s LEU 25 N -0.84 4.24 0.04 1.23 2.96 -0.49 -4.66 118.68 121.15 1wdx s LEU 25 Ca 0.56 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.61 1wdx s LEU 25 Cb -0.41 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 1wdx s LEU 25 CO 0.46 -0.46 0.24 0.20 -1.32 0.00 0.00 176.35 175.48 1wdx s ASN 26 N 1.71 6.42 0.22 3.68 0.01 -1.26 -4.65 114.94 121.06 1wdx s ASN 26 Ca 0.21 0.42 -0.15 0.00 -0.71 0.00 0.00 52.86 52.63 1wdx s ASN 26 Cb -0.15 -2.03 0.01 0.00 0.41 0.00 0.00 41.25 39.49 1wdx s ASN 26 CO 0.13 0.20 0.48 0.72 -1.51 0.00 0.00 177.10 177.12 1wdx s PHE 27 N -1.42 0.15 0.59 2.20 -0.12 -0.71 -5.02 117.98 113.65 1wdx s PHE 27 Ca 0.31 -0.51 -0.00 0.00 -0.05 0.00 0.00 56.93 56.68 1wdx s PHE 27 Cb -0.13 0.27 0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1wdx s PHE 27 CO 0.21 -0.94 0.84 -1.21 -0.05 0.00 0.00 175.22 174.07 1wdx s GLU 28 N -3.95 2.39 0.65 1.99 0.41 -1.26 -2.46 118.70 116.46 1wdx s GLU 28 Ca 0.16 -0.74 -0.17 0.00 -0.41 0.00 0.00 54.97 53.80 1wdx s GLU 28 Cb -0.01 -2.42 -0.03 0.00 -1.78 0.00 0.00 34.13 29.90 1wdx s GLU 28 CO 0.03 -0.88 0.96 1.17 -0.49 0.00 0.00 175.26 176.05 1wdx n LYS 29 N -2.49 0.74 -0.42 1.61 4.81 -1.26 -3.02 118.16 118.12 1wdx n LYS 29 Ca 0.09 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1wdx n LYS 29 Cb 0.60 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.46 1wdx n LYS 29 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wdx n ASP 30 N -1.10 0.00 -4.68 3.14 8.00 -0.36 -4.94 116.55 116.61 1wdx n ASP 30 Ca 0.14 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1wdx n ASP 30 Cb 0.48 -0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 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 -0.23 4.24 -0.22 -1.24 2.00 -1.17 -4.55 119.66 118.50 1wdx s GLN 31 Ca 0.00 1.99 -0.26 0.00 -2.00 0.00 0.00 55.36 55.09 1wdx s GLN 31 Cb 0.00 -3.71 -0.00 0.00 0.80 0.00 0.00 33.01 30.10 1wdx s GLN 31 CO 0.00 -0.67 0.88 -2.00 -0.50 0.00 0.00 175.29 173.00 1wdx s GLU 32 N 3.00 4.23 0.24 1.67 2.12 -1.26 -1.85 118.70 126.86 1wdx s GLU 32 Ca 0.65 1.06 0.11 0.00 0.36 0.00 0.00 54.97 57.16 1wdx s GLU 32 Cb -0.31 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.41 1wdx s GLU 32 CO 0.26 -0.49 -0.18 0.42 -0.54 0.00 0.00 175.26 174.72 1wdx s ILE 33 N 2.72 2.61 -0.27 -3.70 1.01 -0.32 -4.74 121.20 118.51 1wdx s ILE 33 Ca 0.38 -2.17 -0.00 0.00 0.00 0.00 0.00 60.65 58.86 1wdx s ILE 33 Cb -0.16 -2.33 0.05 0.00 0.01 0.00 0.00 42.46 40.03 1wdx s ILE 33 CO 0.09 -0.28 -0.05 -0.63 0.00 0.00 0.00 174.94 174.06 1wdx s ILE 34 N -2.15 2.69 -0.47 2.92 1.01 -0.54 -1.96 121.20 122.70 1wdx s ILE 34 Ca 0.27 -1.37 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 1wdx s ILE 34 Cb -0.06 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.93 1wdx s ILE 34 CO 0.14 0.00 1.18 -0.69 0.00 0.00 0.00 174.94 175.57 1wdx s VAL 35 N 1.23 4.16 -2.78 2.92 1.01 0.08 -2.32 120.40 124.70 1wdx s VAL 35 Ca -0.05 1.18 0.25 0.00 0.00 0.00 0.00 61.98 63.36 1wdx s VAL 35 Cb -0.19 -4.55 0.25 0.00 0.00 0.00 0.00 36.38 31.90 1wdx s VAL 35 CO -0.03 -0.97 1.35 0.35 0.00 0.00 0.00 175.10 175.80 1wdx n THR 36 N 6.88 0.00 -3.62 3.92 -2.24 -0.35 -2.22 114.28 116.65 1wdx n THR 36 Ca 0.13 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 1wdx n THR 36 Cb 0.49 1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 1wdx n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wdx s SER 37 N -2.05 -0.36 -0.41 3.42 0.15 -0.99 -4.84 113.70 108.62 1wdx s SER 37 Ca 0.29 0.57 -0.14 0.00 0.70 0.00 0.00 55.95 57.37 1wdx s SER 37 Cb 0.20 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 65.07 1wdx s SER 37 CO 0.34 -0.20 0.28 -0.69 1.20 0.00 0.00 173.24 174.17 1wdx s VAL 38 N -0.35 5.10 -0.01 4.45 1.01 -1.26 -0.58 120.40 128.75 1wdx s VAL 38 Ca 0.02 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1wdx s VAL 38 Cb -0.03 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1wdx s VAL 38 CO -0.04 -0.31 0.83 -0.33 0.00 0.00 0.00 175.10 175.24 1wdx h GLU 39 N 8.59 -0.59 0.00 2.72 4.39 -1.65 -3.49 114.58 124.55 1wdx h GLU 39 Ca -0.27 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1wdx h GLU 39 Cb 1.12 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1wdx h GLU 39 CO 0.73 -0.39 -0.01 -0.40 -1.16 0.00 0.00 179.01 177.77 1wdx n ASP 40 N -4.56 -0.03 0.28 1.42 5.68 -1.18 -5.01 116.55 113.15 1wdx n ASP 40 Ca -0.08 -1.07 0.16 0.00 -0.50 0.00 0.00 54.79 53.31 1wdx n ASP 40 Cb 0.24 0.07 0.84 0.00 -1.14 0.00 0.00 41.12 41.13 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 1.17 1.17 0.00 2.12 0.00 -2.05 -3.00 119.26 118.67 1wdx h ALA 41 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wdx h ALA 41 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wdx h ALA 41 CO 0.01 0.08 -1.24 0.39 0.00 0.00 0.00 179.25 178.50 1wdx n GLU 42 N -3.41 1.10 -4.69 0.00 1.02 -1.26 -4.92 120.64 108.48 1wdx n GLU 42 Ca -0.02 -0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 56.82 1wdx n GLU 42 Cb 0.21 -1.33 -0.15 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.83 1.44 0.51 -0.32 0.52 -1.13 -1.23 118.94 115.88 1wdx s TRP 43 Ca 0.00 -0.29 0.07 0.00 0.02 0.00 0.00 56.10 55.90 1wdx s TRP 43 Cb 0.12 -0.91 0.02 0.00 -1.15 0.00 0.00 33.47 31.55 1wdx s TRP 43 CO 0.68 -0.01 0.43 0.71 0.02 0.00 0.00 176.95 178.78 1wdx s TYR 44 N -0.48 1.95 -0.05 -1.98 2.02 -0.34 -1.90 117.35 116.57 1wdx s TYR 44 Ca 0.06 -0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 1wdx s TYR 44 Cb -0.07 -2.02 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1wdx s TYR 44 CO -0.00 -0.42 0.03 0.12 -1.57 0.00 0.00 175.55 173.71 1wdx s PHE 45 N -2.67 0.32 0.00 2.71 5.36 0.25 -2.36 117.98 121.60 1wdx s PHE 45 Ca 0.41 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 1wdx s PHE 45 Cb -0.02 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 42.05 1wdx s PHE 45 CO 0.25 -0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.17 1wdx n GLY 46 N 5.18 3.70 3.63 13.12 0.00 -0.91 -1.22 105.19 128.69 1wdx n GLY 46 Ca -0.06 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 1wdx n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wdx s GLU 47 N -0.35 1.53 0.15 1.61 -1.05 -0.98 -2.38 118.70 117.23 1wdx s GLU 47 Ca 0.00 -0.89 -0.24 0.00 -0.15 0.00 0.00 54.97 53.70 1wdx s GLU 47 Cb 0.00 0.56 0.07 0.00 -0.44 0.00 0.00 34.13 34.32 1wdx s GLU 47 CO 0.00 -0.67 0.64 1.52 0.95 0.00 0.00 175.26 177.70 1wdx s TYR 48 N -3.89 -0.50 -0.51 4.83 -0.85 -1.07 -1.47 117.35 113.89 1wdx s TYR 48 Ca 0.10 0.29 -0.25 0.00 -0.52 0.00 0.00 57.07 56.69 1wdx s TYR 48 Cb -0.03 0.56 0.03 0.00 0.38 0.00 0.00 41.96 42.91 1wdx s TYR 48 CO 0.00 -0.83 0.95 -1.14 -1.52 0.00 0.00 175.55 173.01 1wdx s GLN 49 N -3.69 3.43 0.69 -3.49 0.74 -1.26 -2.49 119.66 113.59 1wdx s GLN 49 Ca 0.02 -0.05 -0.12 0.00 0.05 0.00 0.00 55.36 55.26 1wdx s GLN 49 Cb -0.01 -4.00 0.17 0.00 1.10 0.00 0.00 33.01 30.28 1wdx s GLN 49 CO -0.12 -1.38 0.56 -0.40 -0.55 0.00 0.00 175.29 173.40 1wdx n ASP 50 N 7.40 -1.99 -0.14 6.67 5.75 -0.73 -4.81 116.55 128.70 1wdx n ASP 50 Ca 0.04 -0.76 -0.04 0.00 -0.01 0.00 0.00 54.79 54.02 1wdx n ASP 50 Cb 0.48 -0.54 0.04 0.00 -1.03 0.00 0.00 41.12 40.08 1wdx n ASP 50 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1wdx h SER 51 N -2.17 0.15 0.00 -1.12 0.87 -1.96 -2.30 113.55 107.02 1wdx h SER 51 Ca -0.22 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1wdx h SER 51 Cb 0.68 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1wdx h SER 51 CO 0.14 0.12 0.00 0.59 -0.53 0.00 0.00 176.83 177.15 1wdx n ASN 52 N -5.02 0.00 0.00 6.23 3.02 -1.26 -4.87 115.26 113.36 1wdx n ASN 52 Ca 0.04 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1wdx n ASN 52 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.57 1.82 3.75 7.41 0.00 -0.86 -5.04 105.19 112.83 1wdx n GLY 53 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.19 7.45 0.25 1.61 1.01 -1.26 -4.70 116.67 117.85 1wdx s ASP 54 Ca 0.00 2.04 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 1wdx s ASP 54 Cb 0.00 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 1wdx s ASP 54 CO 0.00 -0.03 1.28 -0.69 0.21 0.00 0.00 175.17 175.94 1wdx s VAL 55 N -0.82 3.11 -0.02 -1.27 1.01 -1.26 -1.78 120.40 119.37 1wdx s VAL 55 Ca 0.44 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1wdx s VAL 55 Cb -0.28 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1wdx s VAL 55 CO 0.35 0.19 -0.10 0.27 0.00 0.00 0.00 175.10 175.80 1wdx s ILE 56 N -0.44 0.86 0.44 2.22 -4.36 -1.04 -4.94 121.20 113.95 1wdx s ILE 56 Ca 0.53 -0.41 0.03 0.00 -0.26 0.00 0.00 60.65 60.53 1wdx s ILE 56 Cb -0.37 -0.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.57 1wdx s ILE 56 CO 0.43 0.26 0.10 -1.83 0.24 0.00 0.00 174.94 174.14 1wdx s GLU 57 N 0.11 2.01 0.00 0.37 -1.05 -1.26 -2.58 118.70 116.30 1wdx s GLU 57 Ca -0.02 -2.25 0.00 0.00 -0.15 0.00 0.00 54.97 52.55 1wdx s GLU 57 Cb -0.08 -0.85 0.00 0.00 -0.44 0.00 0.00 34.13 32.75 1wdx s GLU 57 CO 0.00 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.17 1wdx n GLY 58 N -1.01 0.41 3.90 -3.83 0.00 -1.00 -4.13 105.19 99.53 1wdx n GLY 58 Ca -0.10 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.23 5.24 -0.17 -0.61 -4.36 -0.53 -2.15 121.20 117.39 1wdx s ILE 59 Ca 0.00 -0.11 -0.28 0.00 -0.26 0.00 0.00 60.65 60.01 1wdx s ILE 59 Cb 0.00 -3.63 0.08 0.00 1.25 0.00 0.00 42.46 40.16 1wdx s ILE 59 CO 0.00 0.07 0.75 0.72 0.24 0.00 0.00 174.94 176.72 1wdx s PHE 60 N -1.61 -0.68 0.56 1.37 -0.12 -0.99 -1.39 117.98 115.12 1wdx s PHE 60 Ca 0.39 1.44 -0.20 0.00 -0.05 0.00 0.00 56.93 58.51 1wdx s PHE 60 Cb -0.12 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1wdx s PHE 60 CO 0.26 -0.46 1.27 -2.14 -0.05 0.00 0.00 175.22 174.10 1wdx s PRO 61 N -0.39 3.09 0.38 1.99 0.02 -1.26 -1.19 135.00 137.63 1wdx s PRO 61 Ca -0.04 2.01 0.13 0.00 0.02 0.00 0.00 61.00 63.11 1wdx s PRO 61 Cb -0.03 -2.11 0.74 0.00 0.02 0.00 0.00 34.50 33.13 1wdx s PRO 61 CO 0.04 -1.16 1.84 0.87 -0.33 0.00 0.00 177.00 178.26 1wdx h LYS 62 N 1.22 0.00 0.00 5.54 1.57 -1.50 -3.05 116.57 120.35 1wdx h LYS 62 Ca -0.51 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1wdx h LYS 62 Cb 1.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1wdx h LYS 62 CO 0.56 0.36 0.00 0.66 -0.57 0.00 0.00 179.45 180.46 1wdx h SER 63 N 0.00 0.00 0.85 0.86 4.64 -1.92 -2.62 113.55 115.37 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 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1wdx h SER 63 CO 0.05 0.00 -0.37 0.49 -0.87 0.00 0.00 176.83 176.13 1wdx n PHE 64 N -2.30 0.30 -4.28 4.77 3.01 -1.15 -4.93 117.46 112.88 1wdx n PHE 64 Ca 0.02 0.09 -0.15 0.00 1.01 0.00 0.00 57.45 58.41 1wdx n PHE 64 Cb 0.22 -0.52 -0.10 0.00 -0.01 0.00 0.00 39.48 39.07 1wdx n PHE 64 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1wdx s VAL 65 N -3.07 1.06 -0.06 -4.37 -7.23 -0.99 -0.03 120.40 105.72 1wdx s VAL 65 Ca 0.10 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1wdx s VAL 65 Cb 0.16 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 35.01 1wdx s VAL 65 CO 0.66 -0.54 -0.19 0.00 -0.31 0.00 0.00 175.10 174.72 1wdx s ALA 66 N -3.40 1.71 -2.00 1.32 0.00 -0.74 -4.84 121.76 113.80 1wdx s ALA 66 Ca 0.22 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.50 1wdx s ALA 66 Cb 0.04 -0.60 0.47 0.00 0.00 0.00 0.00 23.12 23.03 1wdx s ALA 66 CO 0.04 0.28 0.92 0.28 0.00 0.00 0.00 175.76 177.28