#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n PRO 2 N 0.00 -0.55 -0.82 0.03 -0.04 -1.26 -3.02 135.00 129.34 3d5b n PRO 2 Ca 0.00 -0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.00 3d5b n PRO 2 Cb 0.00 -1.77 0.11 0.00 -0.04 0.00 0.00 33.50 31.80 3d5b n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3d5b n ARG 3 N -1.50 -0.28 -3.50 0.54 1.74 -0.36 -2.94 116.66 110.36 3d5b n ARG 3 Ca 0.05 -0.05 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 3d5b n ARG 3 Cb 0.56 -1.75 -0.13 0.00 -1.02 0.00 0.00 32.46 30.12 3d5b n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d5b s LEU 4 N 0.03 0.70 0.14 0.55 1.43 0.14 -2.65 118.68 119.02 3d5b s LEU 4 Ca 0.55 -1.69 -0.30 0.00 -1.03 0.00 0.00 54.13 51.66 3d5b s LEU 4 Cb -0.20 -0.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 3d5b s LEU 4 CO 0.69 -0.38 1.11 -0.75 0.23 0.00 0.00 176.35 177.26 3d5b s LYS 5 N 1.63 4.56 -0.04 1.70 2.20 -0.42 -2.17 119.74 127.20 3d5b s LYS 5 Ca 0.13 1.70 -0.01 0.00 -0.36 0.00 0.00 55.97 57.43 3d5b s LYS 5 Cb -0.19 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 3d5b s LYS 5 CO -0.19 -0.01 0.03 0.08 -0.36 0.00 0.00 175.35 174.91 3d5b s VAL 6 N 0.15 0.03 -0.21 4.02 1.01 0.10 0.62 120.40 126.12 3d5b s VAL 6 Ca 0.52 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3d5b s VAL 6 Cb -0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 3d5b s VAL 6 CO 0.33 0.17 -0.07 -0.75 0.00 0.00 0.00 175.10 174.77 3d5b s LYS 7 N 1.71 3.29 -0.07 2.72 2.20 -1.19 -1.83 119.74 126.57 3d5b s LYS 7 Ca -0.01 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 3d5b s LYS 7 Cb -0.13 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 3d5b s LYS 7 CO -0.03 -0.21 1.50 -1.17 -0.36 0.00 0.00 175.35 175.08 3d5b s LEU 8 N 1.44 4.28 0.00 5.43 1.98 -1.04 -1.73 118.68 129.05 3d5b s LEU 8 Ca 0.06 2.07 0.00 0.00 -2.89 0.00 0.00 54.13 53.36 3d5b s LEU 8 Cb -0.14 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.17 3d5b s LEU 8 CO -0.05 -0.84 0.00 1.33 -1.89 0.00 0.00 176.35 174.90 3d5b n VAL 9 N 5.28 0.00 -4.03 1.68 0.24 0.72 0.10 118.33 122.32 3d5b n VAL 9 Ca 0.16 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.13 3d5b n VAL 9 Cb 0.43 0.18 -0.15 0.00 -1.47 0.00 0.00 33.84 32.84 3d5b n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3d5b s LYS 10 N -1.34 2.22 0.18 7.34 2.36 0.08 -4.90 119.74 125.68 3d5b s LYS 10 Ca 0.00 -1.38 -0.33 0.00 -2.55 0.00 0.00 55.97 51.71 3d5b s LYS 10 Cb 0.00 -2.99 -0.15 0.00 -1.05 0.00 0.00 37.83 33.64 3d5b s LYS 10 CO 0.00 -0.62 1.22 0.45 1.55 0.00 0.00 175.35 177.95 3d5b n SER 11 N 4.46 1.66 0.00 1.43 2.88 -1.26 -4.73 113.62 118.06 3d5b n SER 11 Ca -0.12 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.70 3d5b n SER 11 Cb 0.42 -1.26 0.57 0.00 -0.75 0.00 0.00 64.21 63.20 3d5b n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d5b n PRO 12 N 1.87 0.01 -1.60 -1.46 -0.04 -1.26 -4.86 135.00 127.66 3d5b n PRO 12 Ca 0.15 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.17 3d5b n PRO 12 Cb 0.26 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 3d5b n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3d5b n ILE 13 N -1.52 0.43 0.00 0.52 2.08 -1.26 -0.46 119.36 119.15 3d5b n ILE 13 Ca 0.07 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 63.03 3d5b n ILE 13 Cb 0.34 -2.37 0.00 0.00 -0.75 0.00 0.00 39.64 36.87 3d5b n ILE 13 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3d5b n GLY 14 N 5.53 0.60 3.95 7.39 0.00 -1.26 -5.09 105.19 116.29 3d5b n GLY 14 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 3d5b n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d5b s TYR 15 N -2.00 3.48 0.43 1.61 1.51 0.39 -5.05 117.35 117.72 3d5b s TYR 15 Ca 0.00 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.03 3d5b s TYR 15 Cb 0.00 -1.73 -0.13 0.00 -0.11 0.00 0.00 41.96 39.99 3d5b s TYR 15 CO 0.00 0.39 0.48 -2.30 -1.11 0.00 0.00 175.55 173.01 3d5b n PRO 16 N -0.99 0.49 -0.07 -1.71 -0.02 -1.26 -4.73 135.00 126.71 3d5b n PRO 16 Ca -0.06 0.18 -0.07 0.00 -2.02 0.00 0.00 63.50 61.52 3d5b n PRO 16 Cb 0.55 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 3d5b n PRO 16 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3d5b h LYS 17 N 0.69 0.03 -0.95 -0.52 3.11 -1.96 -2.03 116.57 114.93 3d5b h LYS 17 Ca -0.40 -0.00 0.24 0.00 -2.81 0.00 0.00 60.65 57.67 3d5b h LYS 17 Cb 1.41 -0.01 -0.13 0.00 -1.00 0.00 0.00 32.23 32.50 3d5b h LYS 17 CO 0.50 0.02 0.50 0.38 -2.81 0.00 0.00 179.45 178.05 3d5b h ASP 18 N 0.03 0.51 -0.41 4.20 2.03 -1.99 0.11 116.42 120.90 3d5b h ASP 18 Ca 0.13 0.15 -0.07 0.00 -0.73 0.00 0.00 57.03 56.51 3d5b h ASP 18 Cb 0.18 0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.75 3d5b h ASP 18 CO -0.25 0.05 -0.00 1.56 -1.03 0.00 0.00 179.24 179.56 3d5b h GLN 19 N 0.49 0.73 -0.43 4.15 4.20 -1.71 -0.85 115.11 121.69 3d5b h GLN 19 Ca 0.61 -0.23 0.08 0.00 0.06 0.00 0.00 58.65 59.17 3d5b h GLN 19 Cb 1.17 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.81 3d5b h GLN 19 CO -0.50 0.81 -0.03 0.87 -0.67 0.00 0.00 178.83 179.31 3d5b h LYS 20 N 0.56 0.07 -0.08 1.46 1.57 -0.62 -0.99 116.57 118.54 3d5b h LYS 20 Ca 0.12 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3d5b h LYS 20 Cb 0.48 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3d5b h LYS 20 CO 0.02 0.05 0.02 0.00 -0.57 0.00 0.00 179.45 178.97 3d5b h ALA 21 N 1.39 1.89 -0.75 3.86 0.00 -0.60 -1.85 119.26 123.21 3d5b h ALA 21 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3d5b h ALA 21 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3d5b h ALA 21 CO -0.38 0.09 0.38 0.00 0.00 0.00 0.00 179.25 179.34 3d5b h ALA 22 N 1.92 0.96 0.00 0.00 0.00 0.22 -0.76 119.26 121.60 3d5b h ALA 22 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3d5b h ALA 22 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3d5b h ALA 22 CO -0.00 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.03 3d5b n LEU 23 N -4.42 0.00 -0.11 0.00 4.32 -0.70 -1.45 117.00 114.64 3d5b n LEU 23 Ca 0.07 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.85 3d5b n LEU 23 Cb 0.12 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.83 3d5b n LEU 23 CO 0.39 0.00 -1.25 1.17 -1.22 0.00 0.00 177.39 176.47 3d5b n LYS 24 N -0.66 0.50 0.18 3.23 4.81 -0.33 0.12 118.16 126.00 3d5b n LYS 24 Ca 0.05 0.18 0.05 0.00 -0.87 0.00 0.00 58.31 57.73 3d5b n LYS 24 Cb 0.02 -1.35 0.52 0.00 0.02 0.00 0.00 35.03 34.24 3d5b n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3d5b h ALA 25 N -0.53 1.78 0.00 3.14 0.00 -1.21 0.16 119.26 122.60 3d5b h ALA 25 Ca -0.54 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 3d5b h ALA 25 Cb 1.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3d5b h ALA 25 CO -0.25 0.17 -1.13 -0.07 0.00 0.00 0.00 179.25 177.97 3d5b h LEU 26 N 0.15 0.00 -2.53 0.00 3.38 -1.45 -3.50 115.31 111.36 3d5b h LEU 26 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3d5b h LEU 26 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3d5b h LEU 26 CO 0.00 0.22 -0.20 0.61 0.09 0.00 0.00 178.44 179.16 3d5b n GLY 27 N 1.26 -1.05 2.93 0.83 0.00 0.04 -5.02 105.19 104.18 3d5b n GLY 27 Ca -0.03 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 3d5b n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5b s LEU 28 N -2.60 3.01 0.00 0.99 1.02 0.32 -4.95 118.68 116.47 3d5b s LEU 28 Ca 0.10 -1.47 0.00 0.00 0.02 0.00 0.00 54.13 52.78 3d5b s LEU 28 Cb -0.03 -1.24 0.00 0.00 0.02 0.00 0.00 46.19 44.94 3d5b s LEU 28 CO 0.52 -0.29 0.15 0.54 0.02 0.00 0.00 176.35 177.29 3d5b n ARG 29 N 4.60 0.00 -0.78 1.70 5.12 -1.26 -4.85 116.66 121.19 3d5b n ARG 29 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 3d5b n ARG 29 Cb 0.43 -0.57 0.00 0.00 -1.16 0.00 0.00 32.46 31.16 3d5b n ARG 29 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3d5b n ARG 30 N -0.35 1.02 -1.93 5.56 1.85 -1.26 -5.10 116.66 116.46 3d5b n ARG 30 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 3d5b n ARG 30 Cb 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.44 3d5b n ARG 30 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3d5b s LEU 31 N 0.00 3.03 -0.93 2.89 2.96 -1.26 -4.02 118.68 121.35 3d5b s LEU 31 Ca 0.00 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 55.05 3d5b s LEU 31 Cb 0.00 -4.06 0.04 0.00 0.50 0.00 0.00 46.19 42.67 3d5b s LEU 31 CO 0.00 -1.17 0.20 0.00 -1.32 0.00 0.00 176.35 174.06 3d5b n GLN 32 N -2.89 -2.74 -3.50 1.98 1.13 0.28 -4.90 117.38 106.75 3d5b n GLN 32 Ca 0.06 0.39 -0.37 0.00 -1.94 0.00 0.00 57.00 55.15 3d5b n GLN 32 Cb 0.56 -5.00 -0.07 0.00 0.11 0.00 0.00 30.24 25.84 3d5b n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3d5b s GLN 33 N -5.47 4.25 0.61 -1.09 0.74 -1.24 -4.84 119.66 112.61 3d5b s GLN 33 Ca 0.18 0.18 -0.13 0.00 0.05 0.00 0.00 55.36 55.63 3d5b s GLN 33 Cb -0.10 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 3d5b s GLN 33 CO 0.22 0.25 1.03 -1.21 -0.55 0.00 0.00 175.29 175.03 3d5b s GLU 34 N 0.41 3.47 -0.30 1.67 0.41 -1.26 -2.49 118.70 120.61 3d5b s GLU 34 Ca 0.19 0.95 -0.09 0.00 -0.41 0.00 0.00 54.97 55.60 3d5b s GLU 34 Cb -0.14 -2.06 0.18 0.00 -1.78 0.00 0.00 34.13 30.33 3d5b s GLU 34 CO 0.06 -0.67 0.94 0.50 -0.49 0.00 0.00 175.26 175.59 3d5b s ARG 35 N -4.63 0.27 -0.92 1.61 6.06 -0.76 -4.94 118.95 115.65 3d5b s ARG 35 Ca 0.59 0.42 -0.02 0.00 -2.50 0.00 0.00 55.73 54.22 3d5b s ARG 35 Cb -0.12 0.23 0.24 0.00 0.06 0.00 0.00 34.95 35.35 3d5b s ARG 35 CO 0.45 -0.35 0.91 0.28 -2.50 0.00 0.00 175.30 174.09 3d5b n VAL 36 N 5.39 3.42 -2.12 7.11 0.31 -1.26 0.02 118.33 131.21 3d5b n VAL 36 Ca -0.02 -5.27 -0.27 0.00 -0.01 0.00 0.00 64.34 58.77 3d5b n VAL 36 Cb 0.54 -2.33 0.11 0.00 -0.91 0.00 0.00 33.84 31.26 3d5b n VAL 36 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3d5b s LEU 37 N -1.70 2.75 1.10 7.52 1.43 -0.92 -4.61 118.68 124.25 3d5b s LEU 37 Ca 0.30 0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 53.56 3d5b s LEU 37 Cb -0.03 -2.75 0.26 0.00 0.03 0.00 0.00 46.19 43.70 3d5b s LEU 37 CO -0.08 -2.02 1.25 -1.61 0.23 0.00 0.00 176.35 174.12 3d5b s GLU 38 N -5.48 -0.48 -0.72 1.70 8.01 -1.26 0.28 118.70 120.75 3d5b s GLU 38 Ca 0.65 -0.37 0.02 0.00 0.01 0.00 0.00 54.97 55.28 3d5b s GLU 38 Cb -0.08 -1.71 0.35 0.00 -4.31 0.00 0.00 34.13 28.38 3d5b s GLU 38 CO 0.48 -3.17 1.40 -3.47 0.01 0.00 0.00 175.26 170.51 3d5b n ASP 39 N -4.31 5.82 -4.80 -0.19 2.03 -1.15 -4.52 116.55 109.44 3d5b n ASP 39 Ca 0.16 -3.72 -0.38 0.00 0.52 0.00 0.00 54.79 51.37 3d5b n ASP 39 Cb 0.59 -0.79 -0.06 0.00 -0.72 0.00 0.00 41.12 40.14 3d5b n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3d5b s THR 40 N -4.76 4.50 0.50 5.18 -4.23 -1.26 -4.60 115.64 110.96 3d5b s THR 40 Ca 0.47 1.48 0.32 0.00 -1.18 0.00 0.00 61.69 62.78 3d5b s THR 40 Cb 0.31 -4.00 0.52 0.00 1.34 0.00 0.00 72.50 70.66 3d5b s THR 40 CO -0.19 0.41 1.77 -0.65 -0.54 0.00 0.00 174.62 175.42 3d5b h PRO 41 N 4.03 0.11 0.18 3.99 0.11 -1.99 0.13 132.00 138.55 3d5b h PRO 41 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3d5b h PRO 41 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d5b h PRO 41 CO 0.65 0.07 -0.09 0.00 -0.21 0.00 0.00 178.00 178.43 3d5b h ALA 42 N 1.46 -0.56 -1.02 -0.75 0.00 -2.00 -3.13 119.26 113.25 3d5b h ALA 42 Ca 0.61 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.72 3d5b h ALA 42 Cb 2.16 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.96 3d5b h ALA 42 CO -0.11 -0.55 0.65 0.82 0.00 0.00 0.00 179.25 180.06 3d5b h ILE 43 N -0.42 0.56 0.14 0.00 1.08 -1.62 -0.25 117.51 117.01 3d5b h ILE 43 Ca -0.02 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.31 3d5b h ILE 43 Cb 0.18 0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 33.98 3d5b h ILE 43 CO 0.04 0.08 -0.44 0.03 -0.69 0.00 0.00 178.15 177.17 3d5b h ARG 44 N 0.44 -0.66 -0.90 2.37 3.08 -0.88 -2.83 114.38 114.99 3d5b h ARG 44 Ca 0.58 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.78 3d5b h ARG 44 Cb 1.39 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 31.47 3d5b h ARG 44 CO -0.29 -0.44 -0.45 0.41 -1.07 0.00 0.00 179.97 178.13 3d5b n GLY 45 N -1.47 -2.13 0.45 0.04 0.00 -0.11 -0.46 105.19 101.52 3d5b n GLY 45 Ca -0.08 1.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.83 3d5b n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3d5b h ASN 46 N 0.00 -1.36 -1.03 1.61 -0.26 -1.57 -0.83 115.58 112.14 3d5b h ASN 46 Ca 0.22 0.14 0.26 0.00 -0.56 0.00 0.00 56.30 56.35 3d5b h ASN 46 Cb 0.45 0.49 -0.11 0.00 -1.06 0.00 0.00 38.32 38.09 3d5b h ASN 46 CO -0.87 -0.55 0.64 0.58 -1.06 0.00 0.00 177.43 176.17 3d5b h VAL 47 N -0.77 0.53 0.33 2.81 2.07 -0.67 -1.34 116.25 119.21 3d5b h VAL 47 Ca -0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3d5b h VAL 47 Cb 0.75 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3d5b h VAL 47 CO -0.20 0.09 -0.16 -0.08 0.02 0.00 0.00 177.57 177.23 3d5b h GLU 48 N 0.47 -0.43 0.00 1.57 4.81 0.16 -0.64 114.58 120.52 3d5b h GLU 48 Ca 0.61 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 3d5b h GLU 48 Cb 1.39 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.87 3d5b h GLU 48 CO -0.36 -0.14 0.00 1.63 -0.73 0.00 0.00 179.01 179.41 3d5b n LYS 49 N -5.18 0.22 -0.27 1.92 4.76 -0.41 -0.81 118.16 118.40 3d5b n LYS 49 Ca -0.10 0.03 0.02 0.00 -2.87 0.00 0.00 58.31 55.39 3d5b n LYS 49 Cb 0.26 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.97 3d5b n LYS 49 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3d5b n VAL 50 N -1.04 0.39 -0.23 -0.18 0.24 -1.05 -4.85 118.33 111.61 3d5b n VAL 50 Ca 0.06 -0.46 0.17 0.00 -2.04 0.00 0.00 64.34 62.07 3d5b n VAL 50 Cb 0.03 0.49 0.49 0.00 -1.47 0.00 0.00 33.84 33.38 3d5b n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d5b h ALA 51 N 0.00 2.13 0.00 2.33 0.00 0.65 0.15 119.26 124.52 3d5b h ALA 51 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d5b h ALA 51 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3d5b h ALA 51 CO 0.00 -0.39 0.00 -2.39 0.00 0.00 0.00 179.25 176.47 3d5b n HIS 52 N -4.51 0.00 0.00 0.00 1.44 -1.26 -2.13 115.22 108.76 3d5b n HIS 52 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 3d5b n HIS 52 Cb 0.63 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.74 3d5b n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3d5b n LEU 53 N -0.82 0.00 -3.85 2.39 4.77 0.50 -4.75 117.00 115.23 3d5b n LEU 53 Ca 0.08 -0.11 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 3d5b n LEU 53 Cb 0.04 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 3d5b n LEU 53 CO 0.06 0.00 -0.38 0.68 -1.33 0.00 0.00 177.39 176.42 3d5b s VAL 54 N -1.74 0.19 -0.49 4.08 -7.23 -0.90 -0.20 120.40 114.10 3d5b s VAL 54 Ca 0.00 0.02 -0.23 0.00 -1.81 0.00 0.00 61.98 59.96 3d5b s VAL 54 Cb 0.00 -0.24 0.04 0.00 0.56 0.00 0.00 36.38 36.74 3d5b s VAL 54 CO 0.00 0.11 0.80 -0.13 -0.31 0.00 0.00 175.10 175.57 3d5b s ARG 55 N 0.64 3.33 0.63 4.82 1.81 -0.70 -4.65 118.95 124.82 3d5b s ARG 55 Ca -0.06 -0.30 -0.16 0.00 -1.72 0.00 0.00 55.73 53.48 3d5b s ARG 55 Cb -0.09 -4.00 -0.01 0.00 -0.45 0.00 0.00 34.95 30.39 3d5b s ARG 55 CO -0.01 -1.25 1.13 0.08 -0.68 0.00 0.00 175.30 174.57 3d5b s VAL 56 N 3.37 3.08 -0.03 3.52 1.01 -1.26 -3.15 120.40 126.95 3d5b s VAL 56 Ca 0.27 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 3d5b s VAL 56 Cb -0.14 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3d5b s VAL 56 CO 0.20 -0.26 0.04 -1.61 0.00 0.00 0.00 175.10 173.46 3d5b s GLU 57 N -3.83 -0.05 -0.48 2.72 0.41 0.20 -4.96 118.70 112.71 3d5b s GLU 57 Ca 0.70 0.26 -0.25 0.00 -0.41 0.00 0.00 54.97 55.26 3d5b s GLU 57 Cb -0.23 -0.34 0.03 0.00 -1.78 0.00 0.00 34.13 31.81 3d5b s GLU 57 CO 0.38 -0.23 0.93 0.08 -0.49 0.00 0.00 175.26 175.93 3d5b s VAL 58 N 1.46 4.45 0.00 2.63 1.01 -1.26 -1.30 120.40 127.39 3d5b s VAL 58 Ca -0.04 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3d5b s VAL 58 Cb -0.13 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3d5b s VAL 58 CO -0.03 -0.88 0.38 0.52 0.00 0.00 0.00 175.10 175.09