#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s PRO 2 N 0.00 4.32 0.46 0.03 0.04 -1.26 -4.76 135.00 133.83 3f1f s PRO 2 Ca 0.00 2.12 -0.22 0.00 0.04 0.00 0.00 61.00 62.94 3f1f s PRO 2 Cb 0.00 -3.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 3f1f s PRO 2 CO 0.00 -0.19 1.11 1.03 0.04 0.00 0.00 177.00 178.99 3f1f s ARG 3 N -1.85 3.81 -0.18 4.56 0.52 0.23 -2.96 118.95 123.08 3f1f s ARG 3 Ca 0.50 1.61 -0.08 0.00 -0.52 0.00 0.00 55.73 57.24 3f1f s ARG 3 Cb -0.38 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 3f1f s ARG 3 CO 0.50 -0.47 0.08 -0.51 0.02 0.00 0.00 175.30 174.91 3f1f s LEU 4 N -3.13 3.93 -0.05 2.53 1.43 0.25 -1.20 118.68 122.44 3f1f s LEU 4 Ca 0.64 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.70 3f1f s LEU 4 Cb -0.24 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 3f1f s LEU 4 CO 0.29 0.19 0.50 -0.75 0.23 0.00 0.00 176.35 176.81 3f1f s LYS 5 N 0.26 4.23 -0.14 1.70 2.20 -1.05 -0.23 119.74 126.71 3f1f s LYS 5 Ca 0.05 0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 3f1f s LYS 5 Cb -0.12 -3.35 0.06 0.00 -1.51 0.00 0.00 37.83 32.91 3f1f s LYS 5 CO -0.00 0.37 0.12 0.14 -0.36 0.00 0.00 175.35 175.61 3f1f s VAL 6 N -0.09 -0.16 -0.13 4.02 -7.23 -0.39 0.31 120.40 116.74 3f1f s VAL 6 Ca 0.27 0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.42 3f1f s VAL 6 Cb -0.17 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 3f1f s VAL 6 CO 0.13 -0.12 0.06 -0.75 -0.31 0.00 0.00 175.10 174.11 3f1f s LYS 7 N 2.20 3.45 0.19 4.82 2.20 -0.80 -3.00 119.74 128.80 3f1f s LYS 7 Ca 0.04 -0.32 -0.26 0.00 -0.36 0.00 0.00 55.97 55.06 3f1f s LYS 7 Cb -0.15 -3.04 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 3f1f s LYS 7 CO -0.08 0.57 0.82 -1.17 -0.36 0.00 0.00 175.35 175.13 3f1f s LEU 8 N -0.47 4.61 0.00 5.43 0.20 -1.13 -1.59 118.68 125.73 3f1f s LEU 8 Ca 0.10 1.72 0.00 0.00 0.69 0.00 0.00 54.13 56.64 3f1f s LEU 8 Cb -0.12 -3.38 0.00 0.00 -0.43 0.00 0.00 46.19 42.26 3f1f s LEU 8 CO 0.02 0.20 0.00 1.33 -0.29 0.00 0.00 176.35 177.61 3f1f n VAL 9 N 1.56 0.00 -3.98 1.68 0.24 0.44 -0.69 118.33 117.58 3f1f n VAL 9 Ca -0.05 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.91 3f1f n VAL 9 Cb 0.48 -0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 32.60 3f1f n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3f1f s LYS 10 N -1.28 3.91 0.21 7.34 2.20 -1.11 -4.85 119.74 126.16 3f1f s LYS 10 Ca 0.00 -0.32 -0.32 0.00 -0.36 0.00 0.00 55.97 54.98 3f1f s LYS 10 Cb 0.00 -3.21 -0.12 0.00 -1.51 0.00 0.00 37.83 32.99 3f1f s LYS 10 CO 0.00 0.34 1.68 0.45 -0.36 0.00 0.00 175.35 177.46 3f1f s SER 11 N 0.19 6.42 0.00 1.43 0.15 -1.26 -4.77 113.70 115.86 3f1f s SER 11 Ca 0.05 2.82 0.19 0.00 0.70 0.00 0.00 55.95 59.71 3f1f s SER 11 Cb -0.12 -2.60 0.92 0.00 -1.71 0.00 0.00 66.02 62.51 3f1f s SER 11 CO 0.00 -0.94 1.58 -0.81 1.20 0.00 0.00 173.24 174.27 3f1f n PRO 12 N 3.87 0.21 -1.62 5.44 -0.04 -1.26 -4.84 135.00 136.77 3f1f n PRO 12 Ca 0.15 0.12 -0.45 0.00 -0.04 0.00 0.00 63.50 63.28 3f1f n PRO 12 Cb 0.36 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 3f1f n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3f1f n ILE 13 N -1.33 1.55 0.00 0.52 2.08 -1.26 -1.55 119.36 119.37 3f1f n ILE 13 Ca 0.08 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 63.00 3f1f n ILE 13 Cb 0.16 -1.12 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 3f1f n ILE 13 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3f1f n GLY 14 N 1.52 2.72 3.74 7.39 0.00 -1.26 -4.98 105.19 114.32 3f1f n GLY 14 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3f1f n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1f s TYR 15 N -1.27 3.75 0.27 1.61 1.51 -0.59 -4.96 117.35 117.66 3f1f s TYR 15 Ca 0.00 1.74 -0.22 0.00 -1.01 0.00 0.00 57.07 57.58 3f1f s TYR 15 Cb 0.00 -3.14 -0.14 0.00 -0.11 0.00 0.00 41.96 38.57 3f1f s TYR 15 CO 0.00 -0.09 0.26 -2.30 -1.11 0.00 0.00 175.55 172.31 3f1f n PRO 16 N 2.41 0.00 -0.28 -1.71 -0.02 -1.26 -4.58 135.00 129.56 3f1f n PRO 16 Ca 0.02 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.59 3f1f n PRO 16 Cb 0.48 -0.88 0.24 0.00 -0.02 0.00 0.00 33.50 33.32 3f1f n PRO 16 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3f1f h LYS 17 N 0.57 0.31 -0.43 -0.52 3.11 -1.97 -2.27 116.57 115.37 3f1f h LYS 17 Ca -0.29 -0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.62 3f1f h LYS 17 Cb 1.28 -0.07 -0.09 0.00 -1.00 0.00 0.00 32.23 32.34 3f1f h LYS 17 CO 0.46 0.21 -0.27 0.38 -2.81 0.00 0.00 179.45 177.41 3f1f h ASP 18 N 0.32 -0.90 -0.21 4.20 2.03 -2.00 0.18 116.42 120.04 3f1f h ASP 18 Ca 0.49 0.18 -0.03 0.00 -0.73 0.00 0.00 57.03 56.94 3f1f h ASP 18 Cb 0.89 0.45 -0.02 0.00 -0.83 0.00 0.00 39.33 39.83 3f1f h ASP 18 CO -0.54 -0.28 0.06 1.56 -1.03 0.00 0.00 179.24 179.01 3f1f h GLN 19 N -0.18 0.42 -0.74 4.15 4.20 -1.73 -0.05 115.11 121.18 3f1f h GLN 19 Ca 0.20 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.97 3f1f h GLN 19 Cb 0.50 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 3f1f h GLN 19 CO -0.54 0.40 0.32 0.87 -0.67 0.00 0.00 178.83 179.22 3f1f h LYS 20 N 0.42 0.48 0.00 1.46 1.79 -0.54 -1.36 116.57 118.81 3f1f h LYS 20 Ca 0.10 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.42 3f1f h LYS 20 Cb 0.19 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3f1f h LYS 20 CO -0.00 0.31 -0.58 0.00 -1.08 0.00 0.00 179.45 178.10 3f1f h ALA 21 N 1.51 0.84 0.02 3.86 0.00 -0.35 -3.01 119.26 122.13 3f1f h ALA 21 Ca 0.40 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3f1f h ALA 21 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3f1f h ALA 21 CO -0.36 0.72 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 3f1f h ALA 22 N 1.42 -0.02 -0.12 0.00 0.00 -0.49 -0.63 119.26 119.42 3f1f h ALA 22 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3f1f h ALA 22 Cb 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3f1f h ALA 22 CO 0.08 -0.36 0.14 -0.07 0.00 0.00 0.00 179.25 179.03 3f1f h LEU 23 N -0.33 0.00 -0.08 0.00 3.38 -1.36 0.25 115.31 117.16 3f1f h LEU 23 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3f1f h LEU 23 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 3f1f h LEU 23 CO 0.00 0.00 -0.48 0.50 0.09 0.00 0.00 178.44 178.55 3f1f h LYS 24 N 0.00 0.47 -0.28 1.13 3.64 -1.27 0.24 116.57 120.51 3f1f h LYS 24 Ca 0.06 -0.40 -0.12 0.00 -1.27 0.00 0.00 60.65 58.92 3f1f h LYS 24 Cb 0.33 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3f1f h LYS 24 CO -0.00 1.03 -0.31 0.00 -2.27 0.00 0.00 179.45 177.90 3f1f h ALA 25 N 0.45 0.94 0.00 5.00 0.00 0.67 -1.10 119.26 125.21 3f1f h ALA 25 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3f1f h ALA 25 Cb 1.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3f1f h ALA 25 CO 0.10 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.24 3f1f n LEU 26 N -4.08 0.00 -1.65 0.00 4.77 0.64 -4.85 117.00 111.82 3f1f n LEU 26 Ca -0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 3f1f n LEU 26 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3f1f n LEU 26 CO 0.44 0.00 -0.20 0.61 -1.33 0.00 0.00 177.39 176.91 3f1f n GLY 27 N 0.37 1.26 3.49 -0.72 0.00 -0.42 -4.91 105.19 104.25 3f1f n GLY 27 Ca 0.03 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 3f1f n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1f s LEU 28 N -4.65 4.75 0.00 0.99 1.43 0.84 -4.92 118.68 117.12 3f1f s LEU 28 Ca 0.00 -2.78 0.00 0.00 -1.03 0.00 0.00 54.13 50.32 3f1f s LEU 28 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3f1f s LEU 28 CO 0.00 -0.88 0.07 0.54 0.23 0.00 0.00 176.35 176.32 3f1f n ARG 29 N 6.38 0.00 -3.72 1.70 5.12 -1.26 -4.67 116.66 120.21 3f1f n ARG 29 Ca 0.38 0.04 -0.25 0.00 -1.93 0.00 0.00 57.85 56.09 3f1f n ARG 29 Cb 0.44 -0.57 0.01 0.00 -1.16 0.00 0.00 32.46 31.17 3f1f n ARG 29 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3f1f n ARG 30 N -0.11 0.69 -1.81 5.56 1.85 -1.26 -5.03 116.66 116.54 3f1f n ARG 30 Ca 0.00 -3.33 -0.33 0.00 -1.00 0.00 0.00 57.85 53.19 3f1f n ARG 30 Cb 0.00 0.32 0.04 0.00 -1.05 0.00 0.00 32.46 31.77 3f1f n ARG 30 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3f1f s LEU 31 N 0.00 3.40 -2.04 2.89 2.96 -1.26 -3.40 118.68 121.23 3f1f s LEU 31 Ca 0.32 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 3f1f s LEU 31 Cb -0.03 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.12 3f1f s LEU 31 CO 0.20 -1.52 0.00 0.00 -1.32 0.00 0.00 176.35 173.71 3f1f n GLN 32 N -2.37 -1.34 -3.21 1.98 1.13 0.14 -4.95 117.38 108.76 3f1f n GLN 32 Ca 0.10 1.18 -0.39 0.00 -1.94 0.00 0.00 57.00 55.95 3f1f n GLN 32 Cb 0.52 -5.49 -0.06 0.00 0.11 0.00 0.00 30.24 25.32 3f1f n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3f1f s GLN 33 N -3.63 4.29 0.87 -1.09 0.74 -1.22 -4.82 119.66 114.80 3f1f s GLN 33 Ca 0.00 0.54 -0.12 0.00 0.05 0.00 0.00 55.36 55.83 3f1f s GLN 33 Cb 0.00 -3.50 0.11 0.00 1.10 0.00 0.00 33.01 30.72 3f1f s GLN 33 CO 0.00 -0.02 1.11 -1.21 -0.55 0.00 0.00 175.29 174.62 3f1f s GLU 34 N 1.19 1.48 -0.30 1.67 0.41 -1.26 -2.82 118.70 119.07 3f1f s GLU 34 Ca 0.28 0.54 -0.15 0.00 -0.41 0.00 0.00 54.97 55.22 3f1f s GLU 34 Cb -0.16 -1.86 0.18 0.00 -1.78 0.00 0.00 34.13 30.52 3f1f s GLU 34 CO 0.11 -2.01 1.16 0.50 -0.49 0.00 0.00 175.26 174.52 3f1f s ARG 35 N -5.14 0.04 -0.23 1.61 6.06 -1.16 -4.92 118.95 115.19 3f1f s ARG 35 Ca 0.63 0.02 -0.12 0.00 -2.50 0.00 0.00 55.73 53.76 3f1f s ARG 35 Cb -0.15 0.01 -0.05 0.00 0.06 0.00 0.00 34.95 34.82 3f1f s ARG 35 CO 0.55 -0.07 0.22 0.08 -2.50 0.00 0.00 175.30 173.58 3f1f s VAL 36 N 2.80 5.31 0.18 7.11 1.01 -1.26 -1.26 120.40 134.31 3f1f s VAL 36 Ca 0.29 0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 3f1f s VAL 36 Cb 0.01 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.87 3f1f s VAL 36 CO -0.21 0.31 0.54 -1.48 0.00 0.00 0.00 175.10 174.26 3f1f s LEU 37 N 1.19 -0.07 0.47 3.92 0.05 0.68 -4.92 118.68 119.99 3f1f s LEU 37 Ca 0.10 -0.35 -0.24 0.00 0.05 0.00 0.00 54.13 53.70 3f1f s LEU 37 Cb -0.14 2.27 -0.08 0.00 -2.05 0.00 0.00 46.19 46.19 3f1f s LEU 37 CO 0.06 -1.03 1.32 -0.62 -0.55 0.00 0.00 176.35 175.53 3f1f n GLU 38 N -0.34 1.90 -2.91 1.48 1.02 -1.26 0.86 120.64 121.38 3f1f n GLU 38 Ca -0.12 0.68 -0.44 0.00 -0.02 0.00 0.00 57.16 57.27 3f1f n GLU 38 Cb 0.63 -2.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.55 3f1f n GLU 38 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3f1f s ASP 39 N -0.65 6.93 0.38 1.62 2.15 -1.15 -4.65 116.67 121.29 3f1f s ASP 39 Ca 0.65 -2.67 0.07 0.00 0.43 0.00 0.00 52.55 51.03 3f1f s ASP 39 Cb -0.46 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 39.74 3f1f s ASP 39 CO 0.55 -0.87 0.46 0.42 -0.17 0.00 0.00 175.17 175.55 3f1f s THR 40 N 2.12 3.35 0.19 1.71 -4.23 -1.26 -4.82 115.64 112.70 3f1f s THR 40 Ca 0.41 -1.12 -0.12 0.00 -1.18 0.00 0.00 61.69 59.68 3f1f s THR 40 Cb -0.03 -3.15 0.12 0.00 1.34 0.00 0.00 72.50 70.78 3f1f s THR 40 CO -0.02 -0.08 1.86 -0.65 -0.54 0.00 0.00 174.62 175.19 3f1f h PRO 41 N 0.89 0.83 0.00 3.99 0.11 -2.00 -2.37 132.00 133.44 3f1f h PRO 41 Ca -0.43 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3f1f h PRO 41 Cb 1.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3f1f h PRO 41 CO 0.52 0.55 -0.69 0.00 -0.21 0.00 0.00 178.00 178.16 3f1f h ALA 42 N 1.25 0.74 0.05 -0.75 0.00 -1.98 -2.41 119.26 116.16 3f1f h ALA 42 Ca 0.25 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3f1f h ALA 42 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3f1f h ALA 42 CO -0.07 0.87 -0.02 0.82 0.00 0.00 0.00 179.25 180.85 3f1f h ILE 43 N 0.00 1.14 -0.71 0.00 1.08 -1.83 -3.03 117.51 114.16 3f1f h ILE 43 Ca -0.01 -0.61 0.09 0.00 -0.39 0.00 0.00 64.86 63.95 3f1f h ILE 43 Cb 1.32 1.54 -0.07 0.00 -3.07 0.00 0.00 36.82 36.54 3f1f h ILE 43 CO 0.09 0.15 0.35 0.03 -0.69 0.00 0.00 178.15 178.09 3f1f h ARG 44 N -0.33 0.59 -0.95 2.37 3.08 -1.38 -2.17 114.38 115.59 3f1f h ARG 44 Ca -0.01 -0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.28 3f1f h ARG 44 Cb 0.30 -0.13 -0.17 0.00 0.08 0.00 0.00 29.97 30.05 3f1f h ARG 44 CO 0.01 0.39 0.12 0.78 -1.07 0.00 0.00 179.97 180.20 3f1f h GLY 45 N 0.60 1.34 0.33 0.04 0.00 -1.30 0.83 103.07 104.91 3f1f h GLY 45 Ca 0.35 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 3f1f h GLY 45 CO -0.26 -0.50 -0.11 3.43 0.00 0.00 0.00 176.54 179.10 3f1f h ASN 46 N 0.06 -0.26 -0.72 0.19 -0.26 -1.42 -3.09 115.58 110.08 3f1f h ASN 46 Ca 0.60 -0.21 0.21 0.00 -0.56 0.00 0.00 56.30 56.35 3f1f h ASN 46 Cb 1.27 0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.57 3f1f h ASN 46 CO -0.83 0.26 0.80 0.58 -1.06 0.00 0.00 177.43 177.18 3f1f h VAL 47 N -0.98 0.20 0.74 2.81 2.07 -0.79 0.12 116.25 120.42 3f1f h VAL 47 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3f1f h VAL 47 Cb 0.45 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3f1f h VAL 47 CO 0.05 0.00 -0.35 -0.08 0.02 0.00 0.00 177.57 177.21 3f1f h GLU 48 N 0.00 -0.95 -0.02 1.57 4.57 0.69 -2.79 114.58 117.65 3f1f h GLU 48 Ca 0.34 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.62 3f1f h GLU 48 Cb 1.95 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 30.71 3f1f h GLU 48 CO -0.00 -0.61 -0.22 0.87 -1.18 0.00 0.00 179.01 177.87 3f1f h LYS 49 N -1.14 -0.32 -0.30 1.92 1.57 -0.73 -2.20 116.57 115.36 3f1f h LYS 49 Ca -0.10 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3f1f h LYS 49 Cb 0.78 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3f1f h LYS 49 CO 0.17 -0.21 0.00 1.33 -0.57 0.00 0.00 179.45 180.16 3f1f n VAL 50 N -5.34 0.00 -0.25 0.50 0.24 -1.05 -4.22 118.33 108.20 3f1f n VAL 50 Ca -0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.27 3f1f n VAL 50 Cb 0.26 -0.21 0.10 0.00 -1.47 0.00 0.00 33.84 32.52 3f1f n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f1f h ALA 51 N 2.31 0.54 0.00 2.33 0.00 -1.10 0.14 119.26 123.48 3f1f h ALA 51 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3f1f h ALA 51 Cb 0.15 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3f1f h ALA 51 CO 0.00 -0.42 0.00 -2.39 0.00 0.00 0.00 179.25 176.44 3f1f n HIS 52 N -5.46 0.00 -0.74 0.00 1.44 -1.26 -1.98 115.22 107.22 3f1f n HIS 52 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3f1f n HIS 52 Cb 0.40 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.50 3f1f n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3f1f n LEU 53 N -0.39 0.31 -3.82 2.39 4.32 0.46 -4.73 117.00 115.54 3f1f n LEU 53 Ca 0.00 -0.31 -0.12 0.00 -0.02 0.00 0.00 56.01 55.56 3f1f n LEU 53 Cb 0.01 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.71 3f1f n LEU 53 CO 0.00 0.08 -0.11 0.68 -1.22 0.00 0.00 177.39 176.82 3f1f s VAL 54 N -0.04 0.04 -0.16 4.08 -7.23 -0.84 -0.42 120.40 115.84 3f1f s VAL 54 Ca 0.00 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.76 3f1f s VAL 54 Cb 0.00 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 3f1f s VAL 54 CO 0.00 -0.20 0.00 -0.13 -0.31 0.00 0.00 175.10 174.46 3f1f s ARG 55 N -0.76 3.71 -0.26 4.82 1.81 -0.62 -4.79 118.95 122.86 3f1f s ARG 55 Ca -0.09 -0.44 -0.09 0.00 -1.72 0.00 0.00 55.73 53.39 3f1f s ARG 55 Cb -0.05 -3.01 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 3f1f s ARG 55 CO 0.02 0.31 0.13 0.08 -0.68 0.00 0.00 175.30 175.15 3f1f s VAL 56 N 0.22 4.83 0.65 3.52 1.01 -1.26 -1.91 120.40 127.46 3f1f s VAL 56 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3f1f s VAL 56 Cb -0.13 -3.28 0.11 0.00 0.00 0.00 0.00 36.38 33.08 3f1f s VAL 56 CO 0.02 0.30 0.90 -1.61 0.00 0.00 0.00 175.10 174.71 3f1f s GLU 57 N 1.65 1.96 -0.06 2.72 0.41 0.15 -4.96 118.70 120.57 3f1f s GLU 57 Ca 0.07 -1.34 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 3f1f s GLU 57 Cb -0.15 -2.47 0.02 0.00 -1.78 0.00 0.00 34.13 29.75 3f1f s GLU 57 CO 0.07 -1.18 -0.04 0.08 -0.49 0.00 0.00 175.26 173.70 3f1f s VAL 58 N -2.93 0.54 0.00 2.63 1.01 -1.26 -2.53 120.40 117.86 3f1f s VAL 58 Ca 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3f1f s VAL 58 Cb -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3f1f s VAL 58 CO 0.42 0.25 0.00 0.52 0.00 0.00 0.00 175.10 176.28