#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s PRO 2 N 0.00 1.83 0.51 0.03 0.04 -1.26 -4.82 135.00 131.33 2wdi s PRO 2 Ca 0.00 0.28 -0.21 0.00 0.04 0.00 0.00 61.00 61.10 2wdi s PRO 2 Cb 0.00 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2wdi s PRO 2 CO 0.00 -1.72 1.16 0.50 0.04 0.00 0.00 177.00 176.98 2wdi s ARG 3 N -5.40 3.50 -0.07 4.56 3.52 -0.90 -2.91 118.95 121.24 2wdi s ARG 3 Ca 0.62 1.74 0.02 0.00 -0.13 0.00 0.00 55.73 57.97 2wdi s ARG 3 Cb -0.13 -2.20 0.02 0.00 -1.56 0.00 0.00 34.95 31.08 2wdi s ARG 3 CO 0.51 -0.76 -0.11 -1.17 -0.81 0.00 0.00 175.30 172.96 2wdi s LEU 4 N -3.45 1.57 -0.25 -0.88 0.20 0.19 -1.47 118.68 114.59 2wdi s LEU 4 Ca 0.69 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.23 2wdi s LEU 4 Cb -0.27 -0.83 0.06 0.00 -0.43 0.00 0.00 46.19 44.71 2wdi s LEU 4 CO 0.32 0.01 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.53 2wdi s LYS 5 N 0.85 2.24 -0.12 1.98 2.20 0.13 0.70 119.74 127.72 2wdi s LYS 5 Ca -0.11 -1.30 -0.04 0.00 -0.36 0.00 0.00 55.97 54.16 2wdi s LYS 5 Cb -0.15 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2wdi s LYS 5 CO 0.01 -0.55 0.03 0.14 -0.36 0.00 0.00 175.35 174.63 2wdi s VAL 6 N 1.13 4.57 -0.18 4.02 -7.23 -1.01 -2.14 120.40 119.55 2wdi s VAL 6 Ca -0.08 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 2wdi s VAL 6 Cb -0.20 -2.98 0.04 0.00 0.56 0.00 0.00 36.38 33.80 2wdi s VAL 6 CO -0.06 0.56 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.44 2wdi s LYS 7 N -0.42 1.93 0.04 4.82 2.20 -0.80 -1.02 119.74 126.50 2wdi s LYS 7 Ca 0.09 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.67 2wdi s LYS 7 Cb -0.12 -2.26 -0.07 0.00 -1.51 0.00 0.00 37.83 33.86 2wdi s LYS 7 CO 0.02 -0.40 1.53 -1.17 -0.36 0.00 0.00 175.35 174.97 2wdi s LEU 8 N 1.47 4.34 0.00 5.43 1.98 -0.92 -2.16 118.68 128.81 2wdi s LEU 8 Ca 0.00 2.32 0.00 0.00 -2.89 0.00 0.00 54.13 53.56 2wdi s LEU 8 Cb -0.15 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.13 2wdi s LEU 8 CO -0.08 -0.80 0.00 1.33 -1.89 0.00 0.00 176.35 174.90 2wdi n VAL 9 N 4.65 0.00 -3.27 1.68 0.24 -0.42 -1.88 118.33 119.34 2wdi n VAL 9 Ca 0.14 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.06 2wdi n VAL 9 Cb 0.42 -0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 31.92 2wdi n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wdi s LYS 10 N -1.89 4.26 0.39 7.34 2.20 -0.01 -4.83 119.74 127.21 2wdi s LYS 10 Ca 0.00 0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 55.78 2wdi s LYS 10 Cb 0.00 -3.50 -0.11 0.00 -1.51 0.00 0.00 37.83 32.71 2wdi s LYS 10 CO 0.00 -0.01 1.48 0.45 -0.36 0.00 0.00 175.35 176.92 2wdi s SER 11 N 0.91 6.25 0.20 1.43 0.15 -1.26 -4.74 113.70 116.64 2wdi s SER 11 Ca 0.25 3.05 0.25 0.00 0.70 0.00 0.00 55.95 60.20 2wdi s SER 11 Cb -0.15 -2.67 0.89 0.00 -1.71 0.00 0.00 66.02 62.37 2wdi s SER 11 CO 0.10 -0.94 1.76 -0.81 1.20 0.00 0.00 173.24 174.56 2wdi n PRO 12 N 0.34 0.22 -1.52 5.44 -0.04 -1.26 -4.84 135.00 133.33 2wdi n PRO 12 Ca 0.02 0.26 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 2wdi n PRO 12 Cb 0.40 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 2wdi n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wdi n ILE 13 N -2.18 -0.04 0.00 0.52 -0.00 -1.26 0.24 119.36 116.64 2wdi n ILE 13 Ca 0.05 -0.39 0.00 0.00 -0.00 0.00 0.00 62.75 62.41 2wdi n ILE 13 Cb 0.36 -1.52 0.00 0.00 -0.00 0.00 0.00 39.64 38.48 2wdi n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2wdi n GLY 14 N 6.26 1.05 3.94 7.39 0.00 -1.26 -5.10 105.19 117.46 2wdi n GLY 14 Ca 0.53 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 2wdi n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdi s TYR 15 N -2.00 3.46 0.28 1.61 1.51 0.14 -5.06 117.35 117.29 2wdi s TYR 15 Ca 0.00 0.10 -0.26 0.00 -1.01 0.00 0.00 57.07 55.90 2wdi s TYR 15 Cb 0.00 -1.65 -0.15 0.00 -0.11 0.00 0.00 41.96 40.04 2wdi s TYR 15 CO 0.00 0.51 0.61 -2.30 -1.11 0.00 0.00 175.55 173.27 2wdi n PRO 16 N -0.56 0.45 -0.34 -1.71 -0.02 -1.26 -4.71 135.00 126.85 2wdi n PRO 16 Ca -0.07 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.70 2wdi n PRO 16 Cb 0.54 -1.30 0.32 0.00 -0.02 0.00 0.00 33.50 33.04 2wdi n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wdi h LYS 17 N 1.17 0.63 -0.14 -0.52 6.56 -1.97 -0.60 116.57 121.69 2wdi h LYS 17 Ca -0.34 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 2wdi h LYS 17 Cb 1.41 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.92 2wdi h LYS 17 CO 0.56 0.41 0.10 0.38 -2.06 0.00 0.00 179.45 178.84 2wdi h ASP 18 N 0.64 0.17 -0.89 0.86 2.03 -1.95 0.29 116.42 117.57 2wdi h ASP 18 Ca 0.58 -0.01 0.02 0.00 -0.73 0.00 0.00 57.03 56.89 2wdi h ASP 18 Cb 0.97 -0.04 -0.05 0.00 -0.83 0.00 0.00 39.33 39.38 2wdi h ASP 18 CO -0.42 0.12 0.58 1.56 -1.03 0.00 0.00 179.24 180.05 2wdi h GLN 19 N 0.19 1.12 -0.85 4.15 4.20 -1.50 -0.52 115.11 121.90 2wdi h GLN 19 Ca 0.05 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2wdi h GLN 19 Cb -0.02 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.46 2wdi h GLN 19 CO -0.01 0.74 0.55 0.87 -0.67 0.00 0.00 178.83 180.32 2wdi h LYS 20 N 1.16 1.05 -0.47 1.46 1.57 -0.66 0.37 116.57 121.05 2wdi h LYS 20 Ca 0.34 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2wdi h LYS 20 Cb -0.06 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.02 2wdi h LYS 20 CO -0.10 0.70 0.00 0.00 -0.57 0.00 0.00 179.45 179.48 2wdi n ALA 21 N -2.34 2.55 -0.04 3.86 0.00 0.04 -2.83 120.51 121.75 2wdi n ALA 21 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.42 2wdi n ALA 21 Cb 0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 2wdi n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi n ALA 22 N -0.14 2.19 0.14 0.00 0.00 0.11 -4.16 120.51 118.65 2wdi n ALA 22 Ca 0.02 -0.77 0.08 0.00 0.00 0.00 0.00 53.44 52.77 2wdi n ALA 22 Cb 0.18 -0.41 0.05 0.00 0.00 0.00 0.00 19.45 19.28 2wdi n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdi h LEU 23 N 0.00 0.00 -1.58 0.00 4.07 -1.48 -3.04 115.31 113.28 2wdi h LEU 23 Ca -0.21 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.70 2wdi h LEU 23 Cb 1.41 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.14 2wdi h LEU 23 CO 0.01 0.22 -0.22 0.50 -1.08 0.00 0.00 178.44 177.87 2wdi h LYS 24 N 0.00 0.00 0.11 1.13 1.63 -1.72 0.08 116.57 117.80 2wdi h LYS 24 Ca -0.03 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.49 2wdi h LYS 24 Cb 1.19 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.83 2wdi h LYS 24 CO 0.02 0.22 -1.20 0.00 -3.45 0.00 0.00 179.45 175.05 2wdi h ALA 25 N 1.78 0.09 -0.68 5.00 0.00 -1.71 -3.24 119.26 120.50 2wdi h ALA 25 Ca -0.00 -0.79 -0.40 0.00 0.00 0.00 0.00 54.91 53.71 2wdi h ALA 25 Cb 0.42 0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.07 2wdi h ALA 25 CO 0.03 0.79 0.52 1.28 0.00 0.00 0.00 179.25 181.86 2wdi n LEU 26 N -3.71 6.21 -3.01 0.00 4.77 -0.71 -4.90 117.00 115.66 2wdi n LEU 26 Ca -0.11 -3.29 -0.20 0.00 -0.03 0.00 0.00 56.01 52.39 2wdi n LEU 26 Cb 0.97 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2wdi n LEU 26 CO 0.56 1.08 -0.10 0.61 -1.33 0.00 0.00 177.39 178.22 2wdi n GLY 27 N -0.40 -0.17 3.34 -0.72 0.00 -0.71 -4.82 105.19 101.71 2wdi n GLY 27 Ca 0.42 0.04 -0.46 0.00 0.00 0.00 0.00 46.02 46.02 2wdi n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdi s LEU 28 N -4.12 6.18 0.00 0.99 1.43 -0.07 -4.95 118.68 118.13 2wdi s LEU 28 Ca 0.34 -2.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 2wdi s LEU 28 Cb -0.20 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2wdi s LEU 28 CO 0.49 -0.82 0.00 0.54 0.23 0.00 0.00 176.35 176.79 2wdi n ARG 29 N 5.07 0.00 0.00 1.70 5.12 -1.26 -4.71 116.66 122.58 2wdi n ARG 29 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2wdi n ARG 29 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 2wdi n ARG 29 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wdi n ARG 30 N 0.00 -0.18 -2.45 5.56 1.74 -1.26 -5.01 116.66 115.06 2wdi n ARG 30 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2wdi n ARG 30 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 2wdi n ARG 30 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wdi s LEU 31 N 0.00 3.04 0.00 0.55 1.43 -1.26 -4.09 118.68 118.35 2wdi s LEU 31 Ca 0.00 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2wdi s LEU 31 Cb 0.00 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2wdi s LEU 31 CO 0.00 -1.47 0.00 0.00 0.23 0.00 0.00 176.35 175.11 2wdi n GLN 32 N -2.67 0.00 -2.43 1.70 1.13 -0.79 -4.87 117.38 109.45 2wdi n GLN 32 Ca 0.09 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 2wdi n GLN 32 Cb 0.60 -3.59 -0.03 0.00 0.11 0.00 0.00 30.24 27.33 2wdi n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2wdi s GLN 33 N -0.48 4.36 -0.02 -1.09 0.74 -1.26 -4.85 119.66 117.07 2wdi s GLN 33 Ca 0.00 1.72 -0.00 0.00 0.05 0.00 0.00 55.36 57.13 2wdi s GLN 33 Cb 0.00 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 2wdi s GLN 33 CO 0.00 -0.42 0.05 -1.21 -0.55 0.00 0.00 175.29 173.15 2wdi s GLU 34 N 2.01 2.97 -0.13 1.67 2.02 -1.26 -2.18 118.70 123.81 2wdi s GLU 34 Ca 0.57 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 55.00 2wdi s GLU 34 Cb -0.26 -2.80 0.06 0.00 0.10 0.00 0.00 34.13 31.23 2wdi s GLU 34 CO 0.24 0.65 0.28 0.50 0.02 0.00 0.00 175.26 176.94 2wdi s ARG 35 N -1.56 0.20 -0.24 1.61 3.52 -0.19 -4.99 118.95 117.31 2wdi s ARG 35 Ca 0.20 0.67 -0.18 0.00 -0.13 0.00 0.00 55.73 56.29 2wdi s ARG 35 Cb -0.12 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.19 2wdi s ARG 35 CO 0.11 -0.22 0.52 0.14 -0.81 0.00 0.00 175.30 175.05 2wdi s VAL 36 N 1.81 5.08 0.15 7.11 -7.23 -1.26 -2.41 120.40 123.65 2wdi s VAL 36 Ca -0.05 0.92 0.09 0.00 -1.81 0.00 0.00 61.98 61.14 2wdi s VAL 36 Cb -0.11 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 2wdi s VAL 36 CO -0.09 0.12 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.85 2wdi s LEU 37 N 2.07 2.39 -0.54 1.32 1.43 0.22 -4.96 118.68 120.62 2wdi s LEU 37 Ca 0.23 -0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 52.23 2wdi s LEU 37 Cb -0.16 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.14 2wdi s LEU 37 CO 0.09 0.04 1.24 -0.70 0.23 0.00 0.00 176.35 177.25 2wdi s GLU 38 N -2.49 3.53 -0.66 1.70 2.56 -1.26 -0.64 118.70 121.44 2wdi s GLU 38 Ca 0.14 0.42 -0.32 0.00 0.00 0.00 0.00 54.97 55.21 2wdi s GLU 38 Cb -0.08 -4.01 -0.15 0.00 2.00 0.00 0.00 34.13 31.89 2wdi s GLU 38 CO 0.07 -1.65 2.44 -3.47 -0.56 0.00 0.00 175.26 172.09 2wdi n ASP 39 N 8.53 1.29 -3.92 -1.70 2.03 -1.15 -4.87 116.55 116.77 2wdi n ASP 39 Ca 0.11 0.13 -0.09 0.00 0.52 0.00 0.00 54.79 55.45 2wdi n ASP 39 Cb 0.49 -1.16 -0.09 0.00 -0.72 0.00 0.00 41.12 39.64 2wdi n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wdi s THR 40 N 9.02 0.15 0.45 5.18 -4.23 -1.26 -4.64 115.64 120.31 2wdi s THR 40 Ca 1.18 -1.20 0.33 0.00 -1.18 0.00 0.00 61.69 60.83 2wdi s THR 40 Cb -0.93 -1.14 0.52 0.00 1.34 0.00 0.00 72.50 72.30 2wdi s THR 40 CO 0.45 -0.66 1.58 -0.65 -0.54 0.00 0.00 174.62 174.81 2wdi h PRO 41 N 3.26 0.01 -0.61 3.99 0.11 -2.00 0.62 132.00 137.39 2wdi h PRO 41 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2wdi h PRO 41 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wdi h PRO 41 CO 0.54 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2wdi n ALA 42 N -2.55 2.92 0.00 -0.75 0.00 -1.26 -2.57 120.51 116.31 2wdi n ALA 42 Ca 0.40 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2wdi n ALA 42 Cb 1.58 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2wdi n ALA 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wdi n ILE 43 N 0.59 0.00 -0.09 0.00 2.08 0.21 -4.63 119.36 117.51 2wdi n ILE 43 Ca 0.16 -0.04 -0.19 0.00 0.56 0.00 0.00 62.75 63.24 2wdi n ILE 43 Cb 0.62 0.43 -0.12 0.00 -0.75 0.00 0.00 39.64 39.82 2wdi n ILE 43 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2wdi h ARG 44 N 0.00 0.00 -0.89 0.38 3.08 -1.49 -3.02 114.38 112.44 2wdi h ARG 44 Ca 0.00 0.00 0.37 0.00 0.07 0.00 0.00 59.98 60.42 2wdi h ARG 44 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 2wdi h ARG 44 CO 0.00 0.96 0.48 0.41 -1.07 0.00 0.00 179.97 180.76 2wdi n GLY 45 N 1.49 -0.66 0.07 0.04 0.00 -1.06 0.23 105.19 105.30 2wdi n GLY 45 Ca -0.25 0.71 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 2wdi n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wdi h ASN 46 N 0.00 0.00 -0.97 1.61 4.21 -1.82 -2.99 115.58 115.62 2wdi h ASN 46 Ca 0.75 -0.81 0.10 0.00 1.21 0.00 0.00 56.30 57.55 2wdi h ASN 46 Cb 1.99 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 39.12 2wdi h ASN 46 CO -0.67 0.93 0.62 0.58 -1.29 0.00 0.00 177.43 177.60 2wdi h VAL 47 N -1.00 0.98 0.20 2.81 2.07 -0.25 -1.98 116.25 119.08 2wdi h VAL 47 Ca -0.01 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2wdi h VAL 47 Cb 0.84 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2wdi h VAL 47 CO -0.01 0.18 -0.48 -0.33 0.02 0.00 0.00 177.57 176.96 2wdi h GLU 48 N 1.00 -0.74 0.08 1.57 4.39 0.28 -1.25 114.58 119.91 2wdi h GLU 48 Ca 0.45 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.20 2wdi h GLU 48 Cb 0.39 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2wdi h GLU 48 CO -0.21 -0.49 -0.09 -0.22 -1.16 0.00 0.00 179.01 176.83 2wdi h LYS 49 N -0.77 -0.17 -0.21 2.33 3.64 -1.23 -2.06 116.57 118.11 2wdi h LYS 49 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wdi h LYS 49 Cb 0.75 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2wdi h LYS 49 CO -0.22 -0.11 0.00 1.33 -2.27 0.00 0.00 179.45 178.18 2wdi n VAL 50 N -2.87 0.00 0.00 2.00 0.24 -0.81 -4.40 118.33 112.50 2wdi n VAL 50 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2wdi n VAL 50 Cb 0.08 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2wdi n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdi n ALA 51 N 0.19 0.00 0.17 2.33 0.00 -0.48 -1.15 120.51 121.57 2wdi n ALA 51 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2wdi n ALA 51 Cb 0.05 0.32 0.16 0.00 0.00 0.00 0.00 19.45 19.99 2wdi n ALA 51 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2wdi h HIS 52 N 0.00 0.00 0.00 0.00 2.07 -1.85 0.66 115.15 116.03 2wdi h HIS 52 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2wdi h HIS 52 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2wdi h HIS 52 CO -0.38 0.00 -1.36 1.28 -3.07 0.00 0.00 177.93 174.41 2wdi n LEU 53 N -1.90 0.50 -4.02 6.12 4.77 -0.30 -4.67 117.00 117.50 2wdi n LEU 53 Ca -0.00 -0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 2wdi n LEU 53 Cb 0.56 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 2wdi n LEU 53 CO 0.03 0.06 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.06 2wdi s VAL 54 N -3.27 0.48 -0.24 4.08 1.01 0.23 -0.83 120.40 121.85 2wdi s VAL 54 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2wdi s VAL 54 Cb 0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2wdi s VAL 54 CO 0.85 -0.21 0.11 -0.13 0.00 0.00 0.00 175.10 175.72 2wdi s ARG 55 N -1.05 3.83 0.17 2.72 0.52 -0.92 -4.78 118.95 119.45 2wdi s ARG 55 Ca -0.06 -0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2wdi s ARG 55 Cb -0.07 -3.40 0.03 0.00 0.52 0.00 0.00 34.95 32.03 2wdi s ARG 55 CO 0.00 -0.06 0.23 0.28 0.02 0.00 0.00 175.30 175.77 2wdi n VAL 56 N 4.60 0.00 0.00 3.52 0.31 -1.26 -1.90 118.33 123.60 2wdi n VAL 56 Ca -0.16 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2wdi n VAL 56 Cb 0.52 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 2wdi n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wdi n GLU 57 N -1.44 0.00 -3.59 5.55 2.13 -0.91 -4.90 120.64 117.47 2wdi n GLU 57 Ca 0.04 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.50 2wdi n GLU 57 Cb 0.13 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.77 2wdi n GLU 57 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wdi s VAL 58 N -0.76 5.33 0.15 6.31 1.01 -1.26 0.22 120.40 131.39 2wdi s VAL 58 Ca 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2wdi s VAL 58 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2wdi s VAL 58 CO 0.00 0.42 0.22 0.52 0.00 0.00 0.00 175.10 176.26 2wdi n VAL 59 N 3.42 0.00 0.00 2.92 0.31 -0.54 -4.91 118.33 119.52 2wdi n VAL 59 Ca -0.13 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.47 2wdi n VAL 59 Cb 0.52 0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 2wdi n VAL 59 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72