#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n PRO 2 N 0.00 0.52 -0.84 0.03 -0.04 -1.26 -4.70 135.00 128.72 2wdl n PRO 2 Ca 0.00 -0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 62.90 2wdl n PRO 2 Cb 0.00 -2.74 0.03 0.00 -0.04 0.00 0.00 33.50 30.75 2wdl n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdl n ARG 3 N 8.27 0.00 -4.76 0.54 1.74 0.26 -4.34 116.66 118.38 2wdl n ARG 3 Ca 0.51 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.30 2wdl n ARG 3 Cb 0.35 -0.84 -0.14 0.00 -1.02 0.00 0.00 32.46 30.80 2wdl n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wdl s LEU 4 N 6.72 2.19 -0.24 0.55 1.43 0.35 -0.27 118.68 129.42 2wdl s LEU 4 Ca 0.33 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2wdl s LEU 4 Cb -0.13 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 44.94 2wdl s LEU 4 CO 0.68 0.22 -0.13 -0.75 0.23 0.00 0.00 176.35 176.61 2wdl s LYS 5 N -1.37 2.46 -0.12 1.70 2.20 -0.49 0.60 119.74 124.72 2wdl s LYS 5 Ca 0.11 -1.20 -0.02 0.00 -0.36 0.00 0.00 55.97 54.50 2wdl s LYS 5 Cb -0.10 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 2wdl s LYS 5 CO 0.03 -0.47 -0.07 0.08 -0.36 0.00 0.00 175.35 174.56 2wdl s VAL 6 N 1.16 3.67 -0.17 4.02 1.01 -0.78 -1.99 120.40 127.32 2wdl s VAL 6 Ca -0.05 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2wdl s VAL 6 Cb -0.18 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.65 2wdl s VAL 6 CO -0.07 0.53 -0.20 -0.75 0.00 0.00 0.00 175.10 174.61 2wdl s LYS 7 N 0.01 3.00 -0.41 2.72 2.20 -0.86 -1.42 119.74 124.99 2wdl s LYS 7 Ca -0.01 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 2wdl s LYS 7 Cb -0.14 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.66 2wdl s LYS 7 CO 0.03 -0.15 1.47 -1.17 -0.36 0.00 0.00 175.35 175.17 2wdl s LEU 8 N 1.14 3.57 -0.00 5.43 1.98 -0.86 -2.33 118.68 127.61 2wdl s LEU 8 Ca 0.01 0.88 0.06 0.00 -2.89 0.00 0.00 54.13 52.19 2wdl s LEU 8 Cb -0.14 -3.52 -0.07 0.00 0.66 0.00 0.00 46.19 43.12 2wdl s LEU 8 CO -0.09 -1.48 0.25 1.33 -1.89 0.00 0.00 176.35 174.46 2wdl n VAL 9 N 7.13 0.00 -4.71 1.68 0.24 0.37 0.23 118.33 123.27 2wdl n VAL 9 Ca 0.17 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.34 61.91 2wdl n VAL 9 Cb 0.48 0.92 -0.15 0.00 -1.47 0.00 0.00 33.84 33.62 2wdl n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wdl s LYS 10 N -1.70 1.28 0.10 7.34 2.20 -0.15 -4.88 119.74 123.93 2wdl s LYS 10 Ca 0.02 -0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 2wdl s LYS 10 Cb 0.05 -1.26 -0.08 0.00 -1.51 0.00 0.00 37.83 35.03 2wdl s LYS 10 CO 0.26 0.34 1.47 0.45 -0.36 0.00 0.00 175.35 177.51 2wdl s SER 11 N -0.54 6.74 0.02 1.43 0.15 -1.26 -4.88 113.70 115.36 2wdl s SER 11 Ca 0.06 2.37 0.19 0.00 0.70 0.00 0.00 55.95 59.27 2wdl s SER 11 Cb -0.07 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.45 2wdl s SER 11 CO -0.00 -0.74 1.59 -0.81 1.20 0.00 0.00 173.24 174.48 2wdl n PRO 12 N 4.50 0.02 -1.57 5.44 -0.04 -1.26 -4.77 135.00 137.31 2wdl n PRO 12 Ca 0.13 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 2wdl n PRO 12 Cb 0.41 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 2wdl n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wdl n ILE 13 N -1.56 0.21 0.00 0.52 -0.00 -1.26 -0.76 119.36 116.52 2wdl n ILE 13 Ca 0.04 -0.53 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 2wdl n ILE 13 Cb 0.22 -2.53 0.00 0.00 -0.00 0.00 0.00 39.64 37.33 2wdl n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2wdl n GLY 14 N 5.92 2.03 3.90 7.39 0.00 -1.26 -5.10 105.19 118.07 2wdl n GLY 14 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 2wdl n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdl s TYR 15 N -1.94 3.54 0.31 1.61 1.51 0.07 -5.04 117.35 117.41 2wdl s TYR 15 Ca 0.00 0.85 -0.28 0.00 -1.01 0.00 0.00 57.07 56.63 2wdl s TYR 15 Cb 0.00 -2.32 -0.14 0.00 -0.11 0.00 0.00 41.96 39.40 2wdl s TYR 15 CO 0.00 -0.21 1.04 -2.30 -1.11 0.00 0.00 175.55 172.96 2wdl n PRO 16 N -1.98 1.44 -0.33 -1.71 -0.02 -1.26 -4.77 135.00 126.37 2wdl n PRO 16 Ca 0.01 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 2wdl n PRO 16 Cb 0.55 -1.91 0.28 0.00 -0.02 0.00 0.00 33.50 32.40 2wdl n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wdl h LYS 17 N 2.00 0.66 -0.41 -0.52 6.56 -1.96 0.49 116.57 123.40 2wdl h LYS 17 Ca -0.41 -0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.19 2wdl h LYS 17 Cb 1.33 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.82 2wdl h LYS 17 CO 0.60 0.44 0.28 0.38 -2.06 0.00 0.00 179.45 179.09 2wdl h ASP 18 N 0.68 0.32 -0.01 0.86 2.03 -1.99 0.39 116.42 118.70 2wdl h ASP 18 Ca 0.54 -0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.71 2wdl h ASP 18 Cb 0.82 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 39.26 2wdl h ASP 18 CO -0.39 0.22 -0.48 1.56 -1.03 0.00 0.00 179.24 179.12 2wdl h GLN 19 N 0.37 0.35 -0.42 4.15 4.20 -1.28 -1.48 115.11 121.00 2wdl h GLN 19 Ca 0.18 -0.36 0.12 0.00 0.06 0.00 0.00 58.65 58.65 2wdl h GLN 19 Cb 0.24 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2wdl h GLN 19 CO -0.04 1.04 0.34 0.87 -0.67 0.00 0.00 178.83 180.36 2wdl h LYS 20 N -0.20 0.00 0.15 1.46 1.57 -0.58 -1.08 116.57 117.90 2wdl h LYS 20 Ca -0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2wdl h LYS 20 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2wdl h LYS 20 CO 0.10 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.90 2wdl h ALA 21 N 1.72 -0.21 -0.90 3.86 0.00 -0.76 -3.14 119.26 119.84 2wdl h ALA 21 Ca 0.20 -0.22 0.25 0.00 0.00 0.00 0.00 54.91 55.14 2wdl h ALA 21 Cb 0.88 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 2wdl h ALA 21 CO -0.00 -0.27 0.27 0.00 0.00 0.00 0.00 179.25 179.25 2wdl h ALA 22 N -0.40 1.37 -0.69 0.00 0.00 -0.14 0.97 119.26 120.37 2wdl h ALA 22 Ca -0.02 0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2wdl h ALA 22 Cb 0.51 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2wdl h ALA 22 CO 0.03 -0.50 0.34 -0.07 0.00 0.00 0.00 179.25 179.06 2wdl h LEU 23 N 0.21 0.45 -0.82 0.00 3.38 -1.36 0.12 115.31 117.30 2wdl h LEU 23 Ca 0.58 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.50 2wdl h LEU 23 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2wdl h LEU 23 CO -0.67 0.27 -0.29 0.50 0.09 0.00 0.00 178.44 178.34 2wdl h LYS 24 N 0.60 0.56 0.26 1.13 3.64 0.87 0.27 116.57 123.90 2wdl h LYS 24 Ca 0.34 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2wdl h LYS 24 Cb 0.34 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2wdl h LYS 24 CO -0.26 0.79 -0.12 0.00 -2.27 0.00 0.00 179.45 177.59 2wdl h ALA 25 N 1.20 -0.35 -0.65 5.00 0.00 0.79 -2.54 119.26 122.71 2wdl h ALA 25 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2wdl h ALA 25 Cb 0.75 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2wdl h ALA 25 CO 0.06 -0.64 0.41 -0.07 0.00 0.00 0.00 179.25 179.01 2wdl h LEU 26 N -0.46 0.67 0.00 0.00 3.38 -0.71 -3.46 115.31 114.73 2wdl h LEU 26 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wdl h LEU 26 Cb 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wdl h LEU 26 CO 0.06 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.67 2wdl n GLY 27 N -1.28 1.47 3.54 0.83 0.00 0.52 -5.01 105.19 105.26 2wdl n GLY 27 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2wdl n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdl s LEU 28 N 0.00 3.50 -0.06 0.99 1.43 0.66 -4.84 118.68 120.36 2wdl s LEU 28 Ca 0.00 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.07 2wdl s LEU 28 Cb 0.00 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.67 2wdl s LEU 28 CO 0.00 -1.62 -0.02 0.03 0.23 0.00 0.00 176.35 174.97 2wdl h ARG 29 N 9.83 0.00 -7.52 1.70 3.08 -1.95 -3.39 114.38 116.12 2wdl h ARG 29 Ca -0.04 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.55 2wdl h ARG 29 Cb 1.03 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.21 2wdl h ARG 29 CO 1.33 0.00 0.29 1.03 -1.07 0.00 0.00 179.97 181.55 2wdl s ARG 30 N -1.39 1.10 0.11 0.04 0.52 -1.26 -5.09 118.95 112.98 2wdl s ARG 30 Ca -0.01 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2wdl s ARG 30 Cb 0.00 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 2wdl s ARG 30 CO 0.02 -2.00 0.20 -1.17 0.02 0.00 0.00 175.30 172.38 2wdl s LEU 31 N -5.57 4.18 0.00 2.53 0.20 -1.26 -4.03 118.68 114.72 2wdl s LEU 31 Ca 0.71 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.65 2wdl s LEU 31 Cb -0.05 -2.78 0.00 0.00 -0.43 0.00 0.00 46.19 42.93 2wdl s LEU 31 CO 0.49 0.11 0.00 0.00 -0.29 0.00 0.00 176.35 176.67 2wdl n GLN 32 N -0.08 0.00 -2.03 1.98 1.13 0.61 -4.93 117.38 114.07 2wdl n GLN 32 Ca -0.07 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 2wdl n GLN 32 Cb 0.53 -2.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.38 2wdl n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2wdl s GLN 33 N 0.00 4.27 -0.14 -1.09 0.74 -1.26 -4.73 119.66 117.45 2wdl s GLN 33 Ca 0.00 2.27 -0.02 0.00 0.05 0.00 0.00 55.36 57.66 2wdl s GLN 33 Cb 0.00 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 2wdl s GLN 33 CO 0.00 -0.48 -0.09 -1.21 -0.55 0.00 0.00 175.29 172.97 2wdl s GLU 34 N 0.43 3.51 -0.07 1.67 2.02 -1.26 -2.03 118.70 122.97 2wdl s GLU 34 Ca 0.64 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.02 2wdl s GLU 34 Cb -0.41 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.07 2wdl s GLU 34 CO 0.36 0.21 -0.05 0.50 0.02 0.00 0.00 175.26 176.30 2wdl s ARG 35 N 0.40 1.07 -0.33 1.61 3.52 -0.51 -4.97 118.95 119.75 2wdl s ARG 35 Ca -0.07 -0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.16 2wdl s ARG 35 Cb -0.15 -1.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.12 2wdl s ARG 35 CO 0.04 -0.15 0.76 0.14 -0.81 0.00 0.00 175.30 175.28 2wdl s VAL 36 N 1.26 4.79 0.53 7.11 -7.23 -1.26 -1.87 120.40 123.74 2wdl s VAL 36 Ca -0.05 1.01 0.05 0.00 -1.81 0.00 0.00 61.98 61.18 2wdl s VAL 36 Cb -0.14 -4.15 0.05 0.00 0.56 0.00 0.00 36.38 32.70 2wdl s VAL 36 CO -0.02 -0.31 0.40 0.18 -0.31 0.00 0.00 175.10 175.04 2wdl n LEU 37 N 6.24 0.00 0.00 1.32 4.77 0.20 -4.89 117.00 124.63 2wdl n LEU 37 Ca 0.03 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 2wdl n LEU 37 Cb 0.48 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2wdl n LEU 37 CO 0.51 -0.58 0.00 1.21 -1.33 0.00 0.00 177.39 177.20 2wdl n GLU 38 N -1.74 3.28 -0.27 3.23 4.07 -1.26 -0.49 120.64 127.45 2wdl n GLU 38 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2wdl n GLU 38 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 2wdl n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2wdl n ASP 39 N 0.00 0.00 -4.66 4.31 2.03 -1.26 -2.49 116.55 114.49 2wdl n ASP 39 Ca 0.00 -1.24 -0.30 0.00 0.52 0.00 0.00 54.79 53.77 2wdl n ASP 39 Cb 0.00 -0.05 0.17 0.00 -0.72 0.00 0.00 41.12 40.52 2wdl n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wdl s THR 40 N 0.00 2.28 0.38 5.18 -4.23 -1.26 -4.68 115.64 113.30 2wdl s THR 40 Ca 0.00 0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.69 2wdl s THR 40 Cb 0.00 -2.22 0.31 0.00 1.34 0.00 0.00 72.50 71.93 2wdl s THR 40 CO 0.00 -0.12 1.94 -0.65 -0.54 0.00 0.00 174.62 175.25 2wdl h PRO 41 N -1.88 0.62 -0.17 3.99 0.11 -2.00 -0.43 132.00 132.25 2wdl h PRO 41 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2wdl h PRO 41 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2wdl h PRO 41 CO 0.45 0.41 0.06 0.00 -0.21 0.00 0.00 178.00 178.71 2wdl h ALA 42 N 1.63 0.22 -0.16 -0.75 0.00 -1.98 0.43 119.26 118.64 2wdl h ALA 42 Ca 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2wdl h ALA 42 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wdl h ALA 42 CO -0.12 -0.17 0.08 0.82 0.00 0.00 0.00 179.25 179.86 2wdl h ILE 43 N 0.10 1.12 0.00 0.00 1.08 -1.76 -0.74 117.51 117.31 2wdl h ILE 43 Ca 0.05 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 2wdl h ILE 43 Cb 0.21 1.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2wdl h ILE 43 CO -0.00 0.11 -0.03 0.03 -0.69 0.00 0.00 178.15 177.57 2wdl h ARG 44 N 0.14 0.00 0.46 2.37 3.08 -0.88 -2.72 114.38 116.83 2wdl h ARG 44 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2wdl h ARG 44 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2wdl h ARG 44 CO -0.01 0.03 -0.38 0.78 -1.07 0.00 0.00 179.97 179.32 2wdl h GLY 45 N 0.15 -1.11 0.81 0.04 0.00 0.14 -0.87 103.07 102.23 2wdl h GLY 45 Ca -0.00 0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 2wdl h GLY 45 CO 0.00 -0.36 0.01 3.43 0.00 0.00 0.00 176.54 179.63 2wdl h ASN 46 N -0.81 0.04 -1.08 0.19 4.21 -1.42 -2.42 115.58 114.30 2wdl h ASN 46 Ca -0.06 -0.20 0.29 0.00 1.21 0.00 0.00 56.30 57.54 2wdl h ASN 46 Cb 0.68 -0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 37.78 2wdl h ASN 46 CO -0.00 0.23 0.70 0.58 -1.29 0.00 0.00 177.43 177.64 2wdl h VAL 47 N -0.14 0.47 -0.49 2.81 2.07 -1.51 1.07 116.25 120.53 2wdl h VAL 47 Ca 0.01 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2wdl h VAL 47 Cb 0.20 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2wdl h VAL 47 CO -0.00 0.06 0.07 -0.33 0.02 0.00 0.00 177.57 177.40 2wdl h GLU 48 N 0.33 0.77 -0.13 1.57 4.39 -0.65 -2.15 114.58 118.72 2wdl h GLU 48 Ca 0.62 -0.17 -0.16 0.00 0.34 0.00 0.00 59.36 59.98 2wdl h GLU 48 Cb 1.66 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 30.21 2wdl h GLU 48 CO -0.29 0.73 -0.55 -0.22 -1.16 0.00 0.00 179.01 177.52 2wdl h LYS 49 N 0.74 0.60 -0.69 2.33 3.64 0.13 -3.00 116.57 120.33 2wdl h LYS 49 Ca 0.16 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2wdl h LYS 49 Cb 0.34 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2wdl h LYS 49 CO 0.01 1.09 0.00 1.33 -2.27 0.00 0.00 179.45 179.61 2wdl n VAL 50 N -4.17 1.55 -0.45 2.00 0.24 -0.63 -4.49 118.33 112.39 2wdl n VAL 50 Ca -0.07 -0.84 0.38 0.00 -2.04 0.00 0.00 64.34 61.76 2wdl n VAL 50 Cb 0.62 -0.24 0.70 0.00 -1.47 0.00 0.00 33.84 33.45 2wdl n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdl h ALA 51 N 3.38 3.02 -0.19 2.33 0.00 -1.23 0.44 119.26 127.02 2wdl h ALA 51 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wdl h ALA 51 Cb 1.29 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2wdl h ALA 51 CO 0.26 -1.51 0.00 -2.39 0.00 0.00 0.00 179.25 175.60 2wdl n HIS 52 N -4.36 0.24 -0.07 0.00 1.44 -1.26 -3.65 115.22 107.56 2wdl n HIS 52 Ca 0.33 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 2wdl n HIS 52 Cb 1.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.52 2wdl n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wdl n LEU 53 N 0.14 0.28 -4.16 2.39 4.77 0.15 -4.88 117.00 115.70 2wdl n LEU 53 Ca 0.13 -0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 55.46 2wdl n LEU 53 Cb 0.24 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2wdl n LEU 53 CO 0.09 0.07 -0.39 0.68 -1.33 0.00 0.00 177.39 176.52 2wdl s VAL 54 N -0.51 0.67 -0.11 4.08 -7.23 -1.10 -0.48 120.40 115.72 2wdl s VAL 54 Ca 0.00 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2wdl s VAL 54 Cb 0.00 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 2wdl s VAL 54 CO 0.00 -0.83 -0.20 -0.13 -0.31 0.00 0.00 175.10 173.63 2wdl s ARG 55 N -3.61 3.16 -0.05 4.82 0.52 -0.98 -4.85 118.95 117.97 2wdl s ARG 55 Ca 0.09 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 2wdl s ARG 55 Cb 0.04 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 2wdl s ARG 55 CO -0.04 0.20 -0.22 0.08 0.02 0.00 0.00 175.30 175.33 2wdl s VAL 56 N 0.33 2.32 0.01 3.52 1.01 -1.26 -2.02 120.40 124.31 2wdl s VAL 56 Ca -0.16 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.88 2wdl s VAL 56 Cb -0.17 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2wdl s VAL 56 CO 0.08 0.58 -0.13 -0.70 0.00 0.00 0.00 175.10 174.92 2wdl s GLU 57 N -0.41 0.99 -0.05 2.72 2.12 -0.84 -5.00 118.70 118.23 2wdl s GLU 57 Ca 0.04 -0.59 -0.23 0.00 0.36 0.00 0.00 54.97 54.55 2wdl s GLU 57 Cb -0.12 -0.98 -0.04 0.00 0.26 0.00 0.00 34.13 33.25 2wdl s GLU 57 CO 0.01 0.26 0.69 0.08 -0.54 0.00 0.00 175.26 175.77 2wdl s VAL 58 N -0.55 4.99 0.32 3.70 1.01 -1.26 -1.40 120.40 127.22 2wdl s VAL 58 Ca 0.03 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2wdl s VAL 58 Cb -0.06 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 2wdl s VAL 58 CO 0.00 0.29 0.39 -0.69 0.00 0.00 0.00 175.10 175.09 2wdl s VAL 59 N 0.58 0.00 0.00 2.92 1.01 0.63 -4.96 120.40 120.58 2wdl s VAL 59 Ca 0.37 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2wdl s VAL 59 Cb -0.18 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2wdl s VAL 59 CO 0.19 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.67