#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c s ARG 3 N 0.00 4.31 0.45 0.54 3.52 -1.11 -4.61 118.95 122.05 3i9c s ARG 3 Ca 0.00 1.47 -0.23 0.00 -0.13 0.00 0.00 55.73 56.84 3i9c s ARG 3 Cb 0.00 -3.62 -0.08 0.00 -1.56 0.00 0.00 34.95 29.69 3i9c s ARG 3 CO 0.00 -0.53 1.16 -0.51 -0.81 0.00 0.00 175.30 174.61 3i9c s LEU 4 N 2.77 4.05 -0.25 -0.88 1.43 -0.40 -2.45 118.68 122.94 3i9c s LEU 4 Ca 0.49 2.29 0.02 0.00 -1.03 0.00 0.00 54.13 55.90 3i9c s LEU 4 Cb -0.19 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 41.89 3i9c s LEU 4 CO 0.13 -0.84 -0.09 -0.75 0.23 0.00 0.00 176.35 175.03 3i9c s LYS 5 N -2.62 2.04 -0.18 1.70 2.20 0.46 0.10 119.74 123.44 3i9c s LYS 5 Ca 0.62 -1.25 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 3i9c s LYS 5 Cb -0.28 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 3i9c s LYS 5 CO 0.35 -0.58 0.01 0.08 -0.36 0.00 0.00 175.35 174.84 3i9c s VAL 6 N 1.19 4.27 -0.27 4.02 1.01 -0.75 -0.44 120.40 129.43 3i9c s VAL 6 Ca -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3i9c s VAL 6 Cb -0.20 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.35 3i9c s VAL 6 CO -0.05 0.46 0.01 -0.75 0.00 0.00 0.00 175.10 174.77 3i9c s LYS 7 N 0.54 1.31 0.07 2.72 2.20 -0.90 -0.70 119.74 124.97 3i9c s LYS 7 Ca -0.00 -1.18 -0.31 0.00 -0.36 0.00 0.00 55.97 54.13 3i9c s LYS 7 Cb -0.14 -2.55 -0.08 0.00 -1.51 0.00 0.00 37.83 33.55 3i9c s LYS 7 CO 0.02 -0.77 1.71 -1.17 -0.36 0.00 0.00 175.35 174.77 3i9c s LEU 8 N 1.37 4.37 0.00 5.43 1.98 -0.96 -1.75 118.68 129.12 3i9c s LEU 8 Ca 0.02 2.53 0.00 0.00 -2.89 0.00 0.00 54.13 53.79 3i9c s LEU 8 Cb -0.18 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.11 3i9c s LEU 8 CO -0.12 -0.92 0.64 1.33 -1.89 0.00 0.00 176.35 175.39 3i9c n VAL 9 N 4.84 0.38 -3.71 1.68 0.24 -0.28 0.55 118.33 122.02 3i9c n VAL 9 Ca 0.17 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3i9c n VAL 9 Cb 0.40 0.92 -0.12 0.00 -1.47 0.00 0.00 33.84 33.57 3i9c n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i9c s LYS 10 N -0.38 0.25 0.07 7.34 2.20 -0.84 -4.92 119.74 123.47 3i9c s LYS 10 Ca 0.00 0.63 -0.37 0.00 -0.36 0.00 0.00 55.97 55.87 3i9c s LYS 10 Cb 0.00 -0.08 -0.16 0.00 -1.51 0.00 0.00 37.83 36.08 3i9c s LYS 10 CO 0.00 -0.17 1.41 0.43 -0.36 0.00 0.00 175.35 176.65 3i9c n SER 11 N 4.37 1.92 0.00 1.43 7.64 -1.26 -4.81 113.62 122.91 3i9c n SER 11 Ca -0.23 1.11 0.10 0.00 1.01 0.00 0.00 58.87 60.86 3i9c n SER 11 Cb 0.53 -1.22 0.59 0.00 -1.01 0.00 0.00 64.21 63.10 3i9c n SER 11 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3i9c n PRO 12 N 2.88 0.94 -2.02 1.43 -0.04 -1.26 -4.82 135.00 132.11 3i9c n PRO 12 Ca 0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 3i9c n PRO 12 Cb 0.20 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3i9c n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i9c s ILE 13 N -2.00 3.48 0.00 0.52 -1.09 -1.26 -1.90 121.20 118.95 3i9c s ILE 13 Ca 0.30 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 3i9c s ILE 13 Cb 0.14 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 3i9c s ILE 13 CO 0.23 -0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.04 3i9c n GLY 14 N 5.45 1.13 3.39 6.18 0.00 -1.26 -5.10 105.19 114.98 3i9c n GLY 14 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3i9c n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9c s TYR 15 N -2.00 2.48 0.09 1.61 1.51 -0.80 -5.10 117.35 115.15 3i9c s TYR 15 Ca 0.00 -0.32 -0.14 0.00 -1.01 0.00 0.00 57.07 55.60 3i9c s TYR 15 Cb 0.00 -1.52 -0.09 0.00 -0.11 0.00 0.00 41.96 40.25 3i9c s TYR 15 CO 0.00 0.10 0.29 -2.30 -1.11 0.00 0.00 175.55 172.53 3i9c n PRO 16 N 2.15 0.00 -0.26 -1.71 -0.02 -1.26 -4.60 135.00 129.31 3i9c n PRO 16 Ca -0.16 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.38 3i9c n PRO 16 Cb 0.52 -0.52 0.20 0.00 -0.02 0.00 0.00 33.50 33.68 3i9c n PRO 16 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i9c h LYS 17 N 0.60 0.31 -0.09 -0.52 3.11 -1.99 -1.38 116.57 116.62 3i9c h LYS 17 Ca -0.15 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.69 3i9c h LYS 17 Cb 0.71 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 3i9c h LYS 17 CO 0.29 0.21 -0.00 0.38 -2.81 0.00 0.00 179.45 177.51 3i9c h ASP 18 N 0.32 -0.04 -1.00 4.20 2.03 -1.97 -1.22 116.42 118.76 3i9c h ASP 18 Ca 0.43 0.02 0.06 0.00 -0.73 0.00 0.00 57.03 56.81 3i9c h ASP 18 Cb 0.74 0.04 -0.06 0.00 -0.83 0.00 0.00 39.33 39.21 3i9c h ASP 18 CO -0.49 -0.00 0.65 1.56 -1.03 0.00 0.00 179.24 179.92 3i9c h GLN 19 N 0.03 1.16 -0.21 4.15 4.20 -1.60 -0.38 115.11 122.46 3i9c h GLN 19 Ca 0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3i9c h GLN 19 Cb 0.05 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3i9c h GLN 19 CO -0.07 0.77 0.07 0.87 -0.67 0.00 0.00 178.83 179.80 3i9c h LYS 20 N 1.20 0.31 0.00 1.46 1.57 -1.04 -1.74 116.57 118.33 3i9c h LYS 20 Ca 0.42 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3i9c h LYS 20 Cb 0.11 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3i9c h LYS 20 CO -0.16 0.39 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 3i9c n ALA 21 N -2.25 2.27 -0.08 3.86 0.00 -0.49 -2.70 120.51 121.12 3i9c n ALA 21 Ca -0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 3i9c n ALA 21 Cb 0.14 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 3i9c n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9c h ALA 22 N 3.03 0.12 0.00 0.00 0.00 -0.15 -3.19 119.26 119.07 3i9c h ALA 22 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3i9c h ALA 22 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i9c h ALA 22 CO 0.00 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.85 3i9c n LEU 23 N -4.54 0.00 0.08 0.00 4.32 -1.10 -2.24 117.00 113.53 3i9c n LEU 23 Ca -0.19 0.43 -0.04 0.00 -0.02 0.00 0.00 56.01 56.18 3i9c n LEU 23 Cb 0.55 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.90 3i9c n LEU 23 CO 0.26 -0.30 0.12 0.50 -1.22 0.00 0.00 177.39 176.75 3i9c h LYS 24 N 0.00 -0.28 -0.33 3.23 1.63 -1.56 0.11 116.57 119.38 3i9c h LYS 24 Ca 0.00 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.91 3i9c h LYS 24 Cb 0.13 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 3i9c h LYS 24 CO 0.00 -0.18 0.45 0.00 -3.45 0.00 0.00 179.45 176.27 3i9c h ALA 25 N -1.16 1.96 0.24 5.00 0.00 -1.43 0.18 119.26 124.05 3i9c h ALA 25 Ca -0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 3i9c h ALA 25 Cb 0.22 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.07 3i9c h ALA 25 CO 0.05 -0.62 -1.43 -0.07 0.00 0.00 0.00 179.25 177.18 3i9c h LEU 26 N 0.00 0.79 0.00 0.00 3.38 -1.50 -3.48 115.31 114.50 3i9c h LEU 26 Ca 0.16 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3i9c h LEU 26 Cb 1.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3i9c h LEU 26 CO -0.00 1.69 0.00 0.61 0.09 0.00 0.00 178.44 180.83 3i9c n GLY 27 N 1.73 1.25 3.38 0.83 0.00 0.62 -5.07 105.19 107.91 3i9c n GLY 27 Ca -0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 3i9c n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9c s LEU 28 N 0.00 5.48 0.00 0.99 1.43 0.27 -4.86 118.68 121.98 3i9c s LEU 28 Ca 0.00 -1.40 0.09 0.00 -1.03 0.00 0.00 54.13 51.78 3i9c s LEU 28 Cb 0.00 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3i9c s LEU 28 CO 0.00 -1.00 0.52 0.54 0.23 0.00 0.00 176.35 176.63 3i9c n ARG 29 N 6.05 2.82 -4.58 1.70 1.74 -1.26 -4.56 116.66 118.56 3i9c n ARG 29 Ca -0.10 -0.39 -0.27 0.00 -0.77 0.00 0.00 57.85 56.33 3i9c n ARG 29 Cb 0.43 -1.00 -0.11 0.00 -1.02 0.00 0.00 32.46 30.76 3i9c n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i9c s ARG 30 N -1.43 1.88 -0.08 5.56 0.52 -1.26 -5.12 118.95 119.02 3i9c s ARG 30 Ca 0.06 -2.03 -0.11 0.00 -0.52 0.00 0.00 55.73 53.13 3i9c s ARG 30 Cb 0.07 -1.57 -0.05 0.00 0.52 0.00 0.00 34.95 33.92 3i9c s ARG 30 CO 0.26 -0.01 0.26 -1.17 0.02 0.00 0.00 175.30 174.66 3i9c s LEU 31 N -3.65 4.40 0.00 2.53 2.96 -1.26 -3.88 118.68 119.77 3i9c s LEU 31 Ca 0.34 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 3i9c s LEU 31 Cb 0.08 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.46 3i9c s LEU 31 CO 0.17 0.33 0.00 0.00 -1.32 0.00 0.00 176.35 175.53 3i9c n GLN 32 N 2.18 -0.23 -2.44 1.98 3.00 0.19 -5.00 117.38 117.07 3i9c n GLN 32 Ca -0.16 0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.48 3i9c n GLN 32 Cb 0.53 -3.22 -0.04 0.00 0.00 0.00 0.00 30.24 27.52 3i9c n GLN 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3i9c s GLN 33 N -0.35 4.59 -0.07 -1.09 0.74 -1.25 -4.79 119.66 117.44 3i9c s GLN 33 Ca 0.00 1.83 0.03 0.00 0.05 0.00 0.00 55.36 57.27 3i9c s GLN 33 Cb 0.00 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 3i9c s GLN 33 CO 0.00 0.16 -0.14 -1.21 -0.55 0.00 0.00 175.29 173.55 3i9c s GLU 34 N -1.52 2.74 -0.19 1.67 2.02 -1.26 -2.27 118.70 119.89 3i9c s GLU 34 Ca 0.45 -0.70 -0.06 0.00 0.02 0.00 0.00 54.97 54.69 3i9c s GLU 34 Cb -0.32 -2.44 0.09 0.00 0.10 0.00 0.00 34.13 31.56 3i9c s GLU 34 CO 0.42 0.51 0.37 0.50 0.02 0.00 0.00 175.26 177.08 3i9c s ARG 35 N -0.42 0.29 0.12 1.61 6.06 0.12 -5.01 118.95 121.71 3i9c s ARG 35 Ca 0.05 0.87 -0.28 0.00 -2.50 0.00 0.00 55.73 53.87 3i9c s ARG 35 Cb -0.12 0.07 -0.07 0.00 0.06 0.00 0.00 34.95 34.90 3i9c s ARG 35 CO 0.02 -0.34 0.86 0.14 -2.50 0.00 0.00 175.30 173.48 3i9c s VAL 36 N 2.55 4.48 0.35 7.11 -7.23 -1.26 -1.81 120.40 124.60 3i9c s VAL 36 Ca 0.02 1.87 0.03 0.00 -1.81 0.00 0.00 61.98 62.09 3i9c s VAL 36 Cb -0.13 -4.23 -0.04 0.00 0.56 0.00 0.00 36.38 32.54 3i9c s VAL 36 CO -0.12 0.40 0.10 -0.76 -0.31 0.00 0.00 175.10 174.40 3i9c s LEU 37 N -0.41 2.00 0.69 1.32 1.43 0.28 -4.95 118.68 119.05 3i9c s LEU 37 Ca 0.41 -1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 3i9c s LEU 37 Cb -0.23 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 45.83 3i9c s LEU 37 CO 0.27 -0.78 1.07 -0.70 0.23 0.00 0.00 176.35 176.45 3i9c s GLU 38 N -3.83 2.81 0.00 1.70 2.56 -1.26 -1.28 118.70 119.40 3i9c s GLU 38 Ca 0.31 1.10 0.16 0.00 0.00 0.00 0.00 54.97 56.55 3i9c s GLU 38 Cb 0.06 -1.97 0.41 0.00 2.00 0.00 0.00 34.13 34.63 3i9c s GLU 38 CO 0.15 -1.21 1.33 -3.47 -0.56 0.00 0.00 175.26 171.50 3i9c n ASP 39 N -2.96 3.24 -4.11 -1.70 2.03 -1.26 -4.66 116.55 107.13 3i9c n ASP 39 Ca 0.08 -1.96 -0.36 0.00 0.52 0.00 0.00 54.79 53.08 3i9c n ASP 39 Cb 0.53 -0.30 0.05 0.00 -0.72 0.00 0.00 41.12 40.68 3i9c n ASP 39 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3i9c n THR 40 N 1.01 0.09 -0.00 5.18 5.66 -1.26 -4.53 114.28 120.43 3i9c n THR 40 Ca 0.16 -0.46 0.05 0.00 -3.05 0.00 0.00 64.05 60.76 3i9c n THR 40 Cb 0.50 -0.11 0.44 0.00 -1.55 0.00 0.00 70.33 69.61 3i9c n THR 40 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3i9c h PRO 41 N -0.89 0.50 0.71 1.09 0.11 -1.99 -2.07 132.00 129.46 3i9c h PRO 41 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3i9c h PRO 41 Cb 1.32 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3i9c h PRO 41 CO 0.28 0.33 -0.34 0.00 -0.21 0.00 0.00 178.00 178.06 3i9c h ALA 42 N 1.75 -0.95 0.00 -0.75 0.00 -1.98 0.19 119.26 117.51 3i9c h ALA 42 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i9c h ALA 42 Cb 0.02 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i9c h ALA 42 CO -0.04 -1.01 -0.13 0.82 0.00 0.00 0.00 179.25 178.90 3i9c h ILE 43 N -1.00 1.01 0.04 0.00 1.08 -1.82 -2.33 117.51 114.49 3i9c h ILE 43 Ca -0.10 -0.45 -0.24 0.00 -0.39 0.00 0.00 64.86 63.68 3i9c h ILE 43 Cb 0.74 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 3i9c h ILE 43 CO 0.16 0.13 -1.14 -0.09 -0.69 0.00 0.00 178.15 176.51 3i9c h ARG 44 N 0.00 0.09 -0.13 2.37 2.43 -1.23 -3.17 114.38 114.74 3i9c h ARG 44 Ca -0.00 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3i9c h ARG 44 Cb 0.24 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3i9c h ARG 44 CO 0.02 1.04 0.12 0.78 -1.51 0.00 0.00 179.97 180.42 3i9c h GLY 45 N 2.54 0.00 0.79 2.80 0.00 -0.05 -1.57 103.07 107.59 3i9c h GLY 45 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.93 3i9c h GLY 45 CO 0.15 0.00 -1.65 3.43 0.00 0.00 0.00 176.54 178.47 3i9c h ASN 46 N 0.00 0.54 0.06 0.19 -0.26 -1.60 -3.10 115.58 111.42 3i9c h ASN 46 Ca 0.06 -0.92 -0.01 0.00 -0.56 0.00 0.00 56.30 54.88 3i9c h ASN 46 Cb 0.30 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3i9c h ASN 46 CO -0.00 1.74 -0.05 0.58 -1.06 0.00 0.00 177.43 178.64 3i9c h VAL 47 N -0.02 0.87 0.10 2.81 2.07 -1.41 -1.66 116.25 119.01 3i9c h VAL 47 Ca -0.33 -0.16 -0.29 0.00 0.82 0.00 0.00 66.70 66.73 3i9c h VAL 47 Cb 1.99 1.09 0.03 0.00 -1.52 0.00 0.00 31.29 32.88 3i9c h VAL 47 CO 0.14 0.04 -1.20 -0.33 0.02 0.00 0.00 177.57 176.25 3i9c h GLU 48 N 0.00 0.64 -0.83 1.57 5.08 -1.41 -2.62 114.58 117.01 3i9c h GLU 48 Ca -0.00 -0.82 0.11 0.00 -1.00 0.00 0.00 59.36 57.66 3i9c h GLU 48 Cb 0.09 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 3i9c h GLU 48 CO 0.01 1.37 0.46 -0.22 -1.00 0.00 0.00 179.01 179.62 3i9c h LYS 49 N 0.28 0.70 -1.00 2.33 3.64 -1.23 0.19 116.57 121.49 3i9c h LYS 49 Ca -0.18 -0.04 -0.50 0.00 -1.27 0.00 0.00 60.65 58.66 3i9c h LYS 49 Cb 1.87 -0.16 -0.30 0.00 -0.41 0.00 0.00 32.23 33.23 3i9c h LYS 49 CO 0.23 0.47 0.64 1.33 -2.27 0.00 0.00 179.45 179.84 3i9c n VAL 50 N -4.79 3.13 0.04 2.00 0.24 -0.96 -4.66 118.33 113.32 3i9c n VAL 50 Ca 0.15 -1.85 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 3i9c n VAL 50 Cb 0.34 -0.49 0.02 0.00 -1.47 0.00 0.00 33.84 32.23 3i9c n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9c n ALA 51 N -1.09 1.44 0.42 2.33 0.00 0.66 -1.55 120.51 122.72 3i9c n ALA 51 Ca 0.58 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 54.06 3i9c n ALA 51 Cb 1.63 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 3i9c n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i9c n HIS 52 N -1.09 0.00 -0.07 0.00 1.44 -1.26 -4.53 115.22 109.71 3i9c n HIS 52 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 3i9c n HIS 52 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 3i9c n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i9c n LEU 53 N -1.01 0.96 -4.91 2.39 4.77 -0.60 -4.86 117.00 113.74 3i9c n LEU 53 Ca 0.02 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 3i9c n LEU 53 Cb 0.15 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3i9c n LEU 53 CO 0.17 0.48 0.02 -0.69 -1.33 0.00 0.00 177.39 176.05 3i9c s VAL 54 N -2.33 5.19 -0.28 4.08 1.01 -0.80 -1.13 120.40 126.14 3i9c s VAL 54 Ca -0.12 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3i9c s VAL 54 Cb 0.05 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.83 3i9c s VAL 54 CO 0.51 -0.05 -0.04 -0.60 0.00 0.00 0.00 175.10 174.91 3i9c s ARG 55 N -2.93 1.84 -0.10 2.72 3.52 -0.72 -4.82 118.95 118.45 3i9c s ARG 55 Ca 0.40 -1.41 -0.08 0.00 -0.13 0.00 0.00 55.73 54.51 3i9c s ARG 55 Cb -0.12 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 3i9c s ARG 55 CO 0.27 -0.70 0.17 0.08 -0.81 0.00 0.00 175.30 174.31 3i9c s VAL 56 N 1.13 5.45 -0.00 7.11 1.01 -1.26 -2.13 120.40 131.71 3i9c s VAL 56 Ca -0.02 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.28 3i9c s VAL 56 Cb -0.19 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3i9c s VAL 56 CO -0.07 0.61 -0.16 -0.70 0.00 0.00 0.00 175.10 174.78 3i9c s GLU 57 N -1.06 1.22 -0.51 2.72 2.12 0.42 -5.02 118.70 118.59 3i9c s GLU 57 Ca 0.16 -0.61 -0.18 0.00 0.36 0.00 0.00 54.97 54.71 3i9c s GLU 57 Cb -0.13 -1.20 0.07 0.00 0.26 0.00 0.00 34.13 33.14 3i9c s GLU 57 CO 0.05 0.32 0.56 0.08 -0.54 0.00 0.00 175.26 175.74 3i9c s VAL 58 N -0.45 5.00 0.00 3.70 1.01 -1.26 -0.40 120.40 127.99 3i9c s VAL 58 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3i9c s VAL 58 Cb -0.06 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3i9c s VAL 58 CO -0.00 -0.79 0.00 0.52 0.00 0.00 0.00 175.10 174.83 3i9c n VAL 59 N 5.46 0.00 -0.17 2.92 0.31 -1.03 -4.97 118.33 120.86 3i9c n VAL 59 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3i9c n VAL 59 Cb 0.44 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3i9c n VAL 59 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67