#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s PRO 2 N 0.00 1.96 0.69 0.03 0.04 -1.26 -4.84 135.00 131.62 2wrl s PRO 2 Ca 0.00 0.05 -0.18 0.00 0.04 0.00 0.00 61.00 60.92 2wrl s PRO 2 Cb 0.00 -4.92 -0.13 0.00 0.04 0.00 0.00 34.50 29.49 2wrl s PRO 2 CO 0.00 -4.12 -0.96 0.54 0.04 0.00 0.00 177.00 172.50 2wrl n ARG 3 N 8.76 0.00 -3.89 4.56 1.74 -1.14 -4.52 116.66 122.17 2wrl n ARG 3 Ca 0.44 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.30 2wrl n ARG 3 Cb 0.45 -0.69 -0.17 0.00 -1.02 0.00 0.00 32.46 31.03 2wrl n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wrl s LEU 4 N 5.51 0.85 -0.85 0.55 1.43 -0.80 -2.20 118.68 123.17 2wrl s LEU 4 Ca 0.25 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 2wrl s LEU 4 Cb 0.03 -0.47 0.13 0.00 0.03 0.00 0.00 46.19 45.91 2wrl s LEU 4 CO 0.48 -0.15 1.03 -0.75 0.23 0.00 0.00 176.35 177.19 2wrl s LYS 5 N 1.64 3.48 -0.20 1.70 2.20 -0.77 -1.97 119.74 125.82 2wrl s LYS 5 Ca 0.00 -1.67 -0.09 0.00 -0.36 0.00 0.00 55.97 53.85 2wrl s LYS 5 Cb -0.13 -4.71 -0.05 0.00 -1.51 0.00 0.00 37.83 31.43 2wrl s LYS 5 CO -0.04 -1.71 0.12 0.14 -0.36 0.00 0.00 175.35 173.50 2wrl s VAL 6 N 2.60 5.25 -0.14 4.02 -7.23 -0.52 -3.01 120.40 121.36 2wrl s VAL 6 Ca 0.28 0.13 -0.01 0.00 -1.81 0.00 0.00 61.98 60.57 2wrl s VAL 6 Cb -0.09 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.44 2wrl s VAL 6 CO -0.05 0.43 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.29 2wrl s LYS 7 N 0.50 3.36 -0.64 4.82 2.20 -0.73 -2.15 119.74 127.10 2wrl s LYS 7 Ca 0.07 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 54.72 2wrl s LYS 7 Cb -0.12 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2wrl s LYS 7 CO -0.00 0.14 1.58 -1.17 -0.36 0.00 0.00 175.35 175.53 2wrl s LEU 8 N 0.54 3.27 -0.23 5.43 0.20 -0.95 -1.55 118.68 125.39 2wrl s LEU 8 Ca -0.08 0.09 -0.17 0.00 0.69 0.00 0.00 54.13 54.66 2wrl s LEU 8 Cb -0.16 -2.67 -0.13 0.00 -0.43 0.00 0.00 46.19 42.80 2wrl s LEU 8 CO 0.04 -2.04 -0.13 1.33 -0.29 0.00 0.00 176.35 175.25 2wrl n VAL 9 N 6.87 1.52 -3.51 1.68 0.24 -0.42 -0.70 118.33 124.01 2wrl n VAL 9 Ca 0.13 -0.15 -0.38 0.00 -2.04 0.00 0.00 64.34 61.91 2wrl n VAL 9 Cb 0.50 -2.03 -0.06 0.00 -1.47 0.00 0.00 33.84 30.78 2wrl n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wrl s LYS 10 N -2.47 4.00 0.40 7.34 2.20 -0.93 -4.79 119.74 125.49 2wrl s LYS 10 Ca -0.32 0.32 -0.26 0.00 -0.36 0.00 0.00 55.97 55.34 2wrl s LYS 10 Cb 0.09 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 2wrl s LYS 10 CO 0.50 0.54 1.36 0.45 -0.36 0.00 0.00 175.35 177.84 2wrl s SER 11 N -0.55 6.27 0.31 1.43 0.15 -1.26 -4.77 113.70 115.28 2wrl s SER 11 Ca 0.22 2.78 0.17 0.00 0.70 0.00 0.00 55.95 59.82 2wrl s SER 11 Cb -0.15 -2.65 0.14 0.00 -1.71 0.00 0.00 66.02 61.64 2wrl s SER 11 CO 0.10 -0.89 1.48 1.55 1.20 0.00 0.00 173.24 176.69 2wrl h PRO 12 N 2.73 0.00 -6.03 5.44 0.13 -1.97 -3.47 132.00 128.84 2wrl h PRO 12 Ca -0.50 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.84 2wrl h PRO 12 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2wrl h PRO 12 CO 0.63 0.40 1.05 -0.89 -0.23 0.00 0.00 178.00 178.95 2wrl n ILE 13 N -3.20 0.09 0.00 -3.56 5.41 -1.26 -1.47 119.36 115.36 2wrl n ILE 13 Ca 0.02 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2wrl n ILE 13 Cb 0.69 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 2wrl n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wrl n GLY 14 N 5.60 2.87 3.40 7.39 0.00 -1.26 -5.08 105.19 118.10 2wrl n GLY 14 Ca 0.40 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2wrl n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrl n TYR 15 N 0.00 -1.60 -1.78 1.61 4.02 -0.55 -4.89 117.16 113.97 2wrl n TYR 15 Ca 0.00 0.22 -0.38 0.00 -0.01 0.00 0.00 57.90 57.74 2wrl n TYR 15 Cb 0.00 -1.77 0.05 0.00 -0.02 0.00 0.00 39.34 37.60 2wrl n TYR 15 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2wrl s PRO 16 N -3.54 2.97 0.34 -0.72 0.02 -1.26 -4.81 135.00 128.00 2wrl s PRO 16 Ca 0.56 2.18 0.11 0.00 0.02 0.00 0.00 61.00 63.87 2wrl s PRO 16 Cb -0.21 -2.13 0.91 0.00 0.02 0.00 0.00 34.50 33.08 2wrl s PRO 16 CO 0.68 -1.30 1.77 0.87 -0.33 0.00 0.00 177.00 178.68 2wrl h LYS 17 N 1.19 0.57 -1.00 5.54 1.79 -1.98 0.21 116.57 122.89 2wrl h LYS 17 Ca -0.51 -0.03 0.24 0.00 -2.18 0.00 0.00 60.65 58.17 2wrl h LYS 17 Cb 1.31 -0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.74 2wrl h LYS 17 CO 0.56 0.38 0.65 0.38 -1.08 0.00 0.00 179.45 180.33 2wrl h ASP 18 N 0.59 0.48 0.03 0.86 2.03 -1.98 0.63 116.42 119.05 2wrl h ASP 18 Ca 0.59 0.07 -0.00 0.00 -0.73 0.00 0.00 57.03 56.96 2wrl h ASP 18 Cb 1.17 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2wrl h ASP 18 CO -0.36 0.13 -0.01 1.56 -1.03 0.00 0.00 179.24 179.52 2wrl h GLN 19 N 0.44 -0.03 -0.59 4.15 4.20 -0.93 -2.96 115.11 119.40 2wrl h GLN 19 Ca 0.56 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.42 2wrl h GLN 19 Cb 1.35 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.11 2wrl h GLN 19 CO -0.28 0.68 0.41 0.87 -0.67 0.00 0.00 178.83 179.85 2wrl h LYS 20 N -0.88 0.13 0.00 1.46 1.57 -1.27 1.24 116.57 118.82 2wrl h LYS 20 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wrl h LYS 20 Cb 0.73 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2wrl h LYS 20 CO 0.01 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 2wrl h ALA 21 N 1.71 1.00 0.01 3.86 0.00 -0.92 -2.46 119.26 122.46 2wrl h ALA 21 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wrl h ALA 21 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wrl h ALA 21 CO -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.21 2wrl h ALA 22 N 2.00 -0.01 -0.68 0.00 0.00 0.17 -3.07 119.26 117.67 2wrl h ALA 22 Ca 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.63 2wrl h ALA 22 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2wrl h ALA 22 CO 0.00 -0.04 0.23 -0.07 0.00 0.00 0.00 179.25 179.38 2wrl h LEU 23 N -0.95 0.18 -2.00 0.00 3.38 -1.26 0.29 115.31 114.94 2wrl h LEU 23 Ca -0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2wrl h LEU 23 Cb 0.82 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2wrl h LEU 23 CO 0.00 0.08 -0.03 0.50 0.09 0.00 0.00 178.44 179.09 2wrl h LYS 24 N 0.38 0.00 0.00 1.13 3.64 -1.54 0.49 116.57 120.67 2wrl h LYS 24 Ca 0.36 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.64 2wrl h LYS 24 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2wrl h LYS 24 CO -0.39 0.03 -0.52 0.00 -2.27 0.00 0.00 179.45 176.30 2wrl h ALA 25 N 1.97 1.01 0.06 5.00 0.00 -0.35 -2.79 119.26 124.17 2wrl h ALA 25 Ca -0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 2wrl h ALA 25 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wrl h ALA 25 CO 0.00 0.65 -1.42 -0.07 0.00 0.00 0.00 179.25 178.41 2wrl h LEU 26 N 0.00 0.21 0.00 0.00 3.38 -0.23 -3.48 115.31 115.19 2wrl h LEU 26 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2wrl h LEU 26 Cb 1.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2wrl h LEU 26 CO 0.07 1.25 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2wrl n GLY 27 N 1.56 0.97 3.10 0.83 0.00 0.15 -5.03 105.19 106.78 2wrl n GLY 27 Ca -0.12 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2wrl n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrl n LEU 28 N 0.00 6.12 0.00 0.99 4.77 -0.97 -4.90 117.00 123.01 2wrl n LEU 28 Ca 0.00 -4.86 0.00 0.00 -0.03 0.00 0.00 56.01 51.12 2wrl n LEU 28 Cb 0.01 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 2wrl n LEU 28 CO 0.00 1.35 0.00 0.54 -1.33 0.00 0.00 177.39 177.95 2wrl n ARG 29 N 3.20 0.00 -1.41 3.23 1.74 -1.26 -4.81 116.66 117.36 2wrl n ARG 29 Ca 0.32 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.94 2wrl n ARG 29 Cb 0.37 -0.20 -0.02 0.00 -1.02 0.00 0.00 32.46 31.59 2wrl n ARG 29 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrl n ARG 30 N 0.00 0.16 -2.78 5.56 1.74 -1.26 -4.86 116.66 115.22 2wrl n ARG 30 Ca 0.00 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.73 2wrl n ARG 30 Cb 0.00 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 2wrl n ARG 30 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wrl s LEU 31 N 2.88 4.44 0.00 0.55 1.98 -1.26 -2.93 118.68 124.35 2wrl s LEU 31 Ca 0.63 1.67 0.00 0.00 -2.89 0.00 0.00 54.13 53.53 2wrl s LEU 31 Cb -0.85 -3.50 0.00 0.00 0.66 0.00 0.00 46.19 42.50 2wrl s LEU 31 CO 0.58 -0.11 0.00 0.00 -1.89 0.00 0.00 176.35 174.93 2wrl n GLN 32 N 3.16 0.00 -2.24 1.98 1.13 0.13 -5.06 117.38 116.47 2wrl n GLN 32 Ca 0.02 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 2wrl n GLN 32 Cb 0.50 -0.17 -0.03 0.00 0.11 0.00 0.00 30.24 30.66 2wrl n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2wrl s GLN 33 N -0.94 4.26 0.42 -1.09 0.74 -1.15 -4.73 119.66 117.18 2wrl s GLN 33 Ca 0.00 1.92 -0.06 0.00 0.05 0.00 0.00 55.36 57.27 2wrl s GLN 33 Cb 0.00 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 2wrl s GLN 33 CO 0.00 -0.64 0.72 -1.21 -0.55 0.00 0.00 175.29 173.62 2wrl s GLU 34 N 2.87 3.60 -0.29 1.67 2.02 -1.26 -2.24 118.70 125.06 2wrl s GLU 34 Ca 0.63 0.16 -0.16 0.00 0.02 0.00 0.00 54.97 55.62 2wrl s GLU 34 Cb -0.29 -2.45 0.17 0.00 0.10 0.00 0.00 34.13 31.66 2wrl s GLU 34 CO 0.24 -0.07 1.09 0.50 0.02 0.00 0.00 175.26 177.04 2wrl s ARG 35 N -4.35 0.24 -0.12 1.61 3.52 -0.92 -4.98 118.95 113.95 2wrl s ARG 35 Ca 0.47 0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 56.46 2wrl s ARG 35 Cb -0.10 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 2wrl s ARG 35 CO 0.39 -0.06 0.09 0.14 -0.81 0.00 0.00 175.30 175.06 2wrl s VAL 36 N 1.42 5.10 0.00 7.11 -7.23 -1.25 -1.43 120.40 124.13 2wrl s VAL 36 Ca -0.07 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2wrl s VAL 36 Cb -0.03 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2wrl s VAL 36 CO -0.14 0.59 0.00 0.18 -0.31 0.00 0.00 175.10 175.42 2wrl n LEU 37 N 2.27 0.00 0.00 1.32 4.77 -0.83 -4.87 117.00 119.66 2wrl n LEU 37 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2wrl n LEU 37 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2wrl n LEU 37 CO 0.31 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.58 2wrl n GLU 38 N 0.00 2.94 -2.70 3.23 4.07 -1.26 -1.91 120.64 125.00 2wrl n GLU 38 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2wrl n GLU 38 Cb 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.47 2wrl n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2wrl n ASP 39 N 0.00 -1.83 -5.03 4.31 2.03 -1.26 -3.31 116.55 111.46 2wrl n ASP 39 Ca 0.00 -2.75 -0.19 0.00 0.52 0.00 0.00 54.79 52.38 2wrl n ASP 39 Cb 0.00 1.45 0.05 0.00 -0.72 0.00 0.00 41.12 41.90 2wrl n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wrl s THR 40 N 0.17 2.37 0.35 5.18 -4.23 -1.26 -4.94 115.64 113.29 2wrl s THR 40 Ca 0.19 -1.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.87 2wrl s THR 40 Cb 0.29 -2.38 0.16 0.00 1.34 0.00 0.00 72.50 71.91 2wrl s THR 40 CO -0.09 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.22 2wrl h PRO 41 N 0.31 0.00 0.10 3.99 0.11 -2.01 -2.40 132.00 132.11 2wrl h PRO 41 Ca -0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 2wrl h PRO 41 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wrl h PRO 41 CO 0.42 0.29 -0.05 0.00 -0.21 0.00 0.00 178.00 178.45 2wrl h ALA 42 N 1.71 -0.14 -0.65 -0.75 0.00 -2.00 -2.37 119.26 115.06 2wrl h ALA 42 Ca -0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2wrl h ALA 42 Cb 0.59 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2wrl h ALA 42 CO 0.04 -0.21 0.44 0.82 0.00 0.00 0.00 179.25 180.34 2wrl h ILE 43 N -0.88 0.85 -0.18 0.00 1.08 -1.93 -0.81 117.51 115.63 2wrl h ILE 43 Ca -0.01 -0.13 -0.09 0.00 -0.39 0.00 0.00 64.86 64.24 2wrl h ILE 43 Cb 0.56 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 2wrl h ILE 43 CO 0.02 0.07 -0.23 0.03 -0.69 0.00 0.00 178.15 177.35 2wrl h ARG 44 N 0.38 0.48 -0.06 2.37 3.08 -1.48 -3.33 114.38 115.83 2wrl h ARG 44 Ca 0.31 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2wrl h ARG 44 Cb 0.69 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2wrl h ARG 44 CO -0.09 0.86 -0.03 0.41 -1.07 0.00 0.00 179.97 180.05 2wrl n GLY 45 N 0.27 -1.06 0.27 0.04 0.00 -0.31 -0.36 105.19 104.03 2wrl n GLY 45 Ca -0.06 0.24 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2wrl n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wrl h ASN 46 N 0.00 -0.55 -1.34 1.61 4.21 -1.71 -1.93 115.58 115.87 2wrl h ASN 46 Ca 0.01 0.03 0.47 0.00 1.21 0.00 0.00 56.30 58.02 2wrl h ASN 46 Cb 0.02 0.16 -0.14 0.00 -1.12 0.00 0.00 38.32 37.24 2wrl h ASN 46 CO -0.05 -0.37 0.85 0.52 -1.29 0.00 0.00 177.43 177.09 2wrl n VAL 47 N -5.36 -0.27 0.05 2.81 0.31 0.51 0.21 118.33 116.59 2wrl n VAL 47 Ca -0.11 1.83 -0.13 0.00 -0.01 0.00 0.00 64.34 65.92 2wrl n VAL 47 Cb 0.26 -2.99 -0.09 0.00 -0.91 0.00 0.00 33.84 30.11 2wrl n VAL 47 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wrl h GLU 48 N 0.00 -0.14 -0.89 5.55 4.39 -0.38 -1.83 114.58 121.27 2wrl h GLU 48 Ca 0.88 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.79 2wrl h GLU 48 Cb 2.77 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 31.39 2wrl h GLU 48 CO -0.50 0.27 0.59 -0.22 -1.16 0.00 0.00 179.01 177.99 2wrl h LYS 49 N -0.59 0.38 -0.50 2.33 3.64 0.30 -0.82 116.57 121.31 2wrl h LYS 49 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wrl h LYS 49 Cb 0.47 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2wrl h LYS 49 CO 0.02 0.25 0.00 1.33 -2.27 0.00 0.00 179.45 178.79 2wrl n VAL 50 N -4.50 1.24 -0.28 2.00 0.24 0.03 -4.70 118.33 112.36 2wrl n VAL 50 Ca 0.19 -1.11 0.14 0.00 -2.04 0.00 0.00 64.34 61.52 2wrl n VAL 50 Cb 0.70 0.38 0.27 0.00 -1.47 0.00 0.00 33.84 33.72 2wrl n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wrl n ALA 51 N 0.86 0.47 1.15 2.33 0.00 -0.31 0.24 120.51 125.25 2wrl n ALA 51 Ca 0.18 0.88 0.05 0.00 0.00 0.00 0.00 53.44 54.56 2wrl n ALA 51 Cb 0.60 -0.67 0.28 0.00 0.00 0.00 0.00 19.45 19.66 2wrl n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wrl n HIS 52 N -5.16 0.00 -0.07 0.00 1.44 -1.26 -2.61 115.22 107.56 2wrl n HIS 52 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 2wrl n HIS 52 Cb 0.68 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.79 2wrl n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wrl n LEU 53 N -0.76 0.09 -4.27 2.39 4.77 0.67 -4.74 117.00 115.15 2wrl n LEU 53 Ca 0.07 -0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 2wrl n LEU 53 Cb 0.03 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2wrl n LEU 53 CO 0.05 0.02 -0.47 -0.69 -1.33 0.00 0.00 177.39 174.97 2wrl s VAL 54 N -0.46 1.50 -0.34 4.08 1.01 -0.85 -1.30 120.40 124.04 2wrl s VAL 54 Ca 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 2wrl s VAL 54 Cb 0.00 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.89 2wrl s VAL 54 CO 0.00 -0.30 0.07 -0.13 0.00 0.00 0.00 175.10 174.74 2wrl s ARG 55 N -2.45 2.28 0.77 2.72 0.52 -0.59 -4.81 118.95 117.39 2wrl s ARG 55 Ca 0.09 -1.45 -0.08 0.00 -0.52 0.00 0.00 55.73 53.76 2wrl s ARG 55 Cb -0.07 -3.33 0.10 0.00 0.52 0.00 0.00 34.95 32.18 2wrl s ARG 55 CO 0.04 -0.77 1.10 0.08 0.02 0.00 0.00 175.30 175.76 2wrl s VAL 56 N 1.22 2.17 -0.24 3.52 1.01 -1.26 -1.77 120.40 125.04 2wrl s VAL 56 Ca -0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.42 2wrl s VAL 56 Cb -0.21 -2.94 0.16 0.00 0.00 0.00 0.00 36.38 33.40 2wrl s VAL 56 CO -0.02 0.00 1.27 -0.70 0.00 0.00 0.00 175.10 175.65 2wrl s GLU 57 N -5.41 0.19 -0.13 2.72 2.12 -1.16 -4.93 118.70 112.10 2wrl s GLU 57 Ca 0.64 -0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.93 2wrl s GLU 57 Cb -0.09 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 2wrl s GLU 57 CO 0.47 -0.07 -0.03 0.08 -0.54 0.00 0.00 175.26 175.17 2wrl s VAL 58 N -1.63 4.01 0.33 3.70 1.01 -1.26 -1.85 120.40 124.71 2wrl s VAL 58 Ca 0.08 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.79 2wrl s VAL 58 Cb -0.01 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2wrl s VAL 58 CO -0.05 0.53 0.24 -0.69 0.00 0.00 0.00 175.10 175.12 2wrl s VAL 59 N -0.03 0.11 0.00 2.92 1.01 -0.94 -4.90 120.40 118.57 2wrl s VAL 59 Ca 0.02 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2wrl s VAL 59 Cb -0.13 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2wrl s VAL 59 CO 0.02 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.50