#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n LYS 2 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.97 118.16 111.93 3df4 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3df4 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3df4 n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3df4 n THR 3 N 0.00 0.00 -2.17 0.58 -2.24 -1.26 -4.85 114.28 104.33 3df4 n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3df4 n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3df4 n THR 3 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3df4 n ILE 4 N -1.49-12.79 -3.18 2.28 2.08 -1.26 -3.03 119.36 101.98 3df4 n ILE 4 Ca 0.00 3.05 -0.44 0.00 0.56 0.00 0.00 62.75 65.92 3df4 n ILE 4 Cb 0.00 -5.75 -0.06 0.00 -0.75 0.00 0.00 39.64 33.08 3df4 n ILE 4 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3df4 s LYS 5 N -0.74 3.09 0.84 0.38 -2.85 0.16 -2.61 119.74 118.01 3df4 s LYS 5 Ca 0.00 -1.04 -0.12 0.00 -1.00 0.00 0.00 55.97 53.81 3df4 s LYS 5 Cb 0.00 -4.14 0.10 0.00 -2.06 0.00 0.00 37.83 31.73 3df4 s LYS 5 CO 0.00 -1.27 1.16 0.42 0.10 0.00 0.00 175.35 175.76 3df4 s ILE 6 N 2.51 2.27 0.02 3.79 -1.09 0.88 0.16 121.20 129.74 3df4 s ILE 6 Ca 0.13 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 3df4 s ILE 6 Cb -0.21 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 3df4 s ILE 6 CO 0.10 -0.10 -0.03 -0.89 -1.23 0.00 0.00 174.94 172.79 3df4 s THR 7 N -2.46 0.11 -0.02 2.92 2.01 -1.26 -1.59 115.64 115.34 3df4 s THR 7 Ca 0.69 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 3df4 s THR 7 Cb -0.24 -0.23 -0.30 0.00 0.01 0.00 0.00 72.50 71.73 3df4 s THR 7 CO 0.54 -0.42 0.77 -0.61 -0.69 0.00 0.00 174.62 174.21 3df4 h GLN 8 N 4.87 0.36 0.00 4.92 5.75 -1.75 -3.32 115.11 125.94 3df4 h GLN 8 Ca -0.31 -0.61 0.00 0.00 -0.15 0.00 0.00 58.65 57.58 3df4 h GLN 8 Cb 1.21 0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.99 3df4 h GLN 8 CO 0.42 1.25 0.00 2.41 -2.65 0.00 0.00 178.83 180.27 3df4 n THR 9 N -3.55 0.00 -3.12 2.39 -1.04 -1.25 -4.10 114.28 103.61 3df4 n THR 9 Ca -0.21 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.55 3df4 n THR 9 Cb 1.07 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.57 3df4 n THR 9 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3df4 s ARG 10 N 0.00 3.46 0.59 -2.82 0.52 -1.26 -4.89 118.95 114.54 3df4 s ARG 10 Ca 0.00 -0.19 -0.17 0.00 -0.52 0.00 0.00 55.73 54.85 3df4 s ARG 10 Cb 0.00 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3df4 s ARG 10 CO 0.00 0.00 1.07 -1.54 0.02 0.00 0.00 175.30 174.85 3df4 s SER 11 N -4.08 5.73 -0.76 0.23 1.04 -1.26 -4.92 113.70 109.69 3df4 s SER 11 Ca 0.43 1.90 -0.04 0.00 0.48 0.00 0.00 55.95 58.72 3df4 s SER 11 Cb -0.10 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.67 3df4 s SER 11 CO 0.39 -1.20 0.61 0.00 0.98 0.00 0.00 173.24 174.02 3df4 s ALA 12 N -2.30 3.90 -0.05 5.32 0.00 -1.26 -4.80 121.76 122.57 3df4 s ALA 12 Ca 0.66 -3.50 -0.01 0.00 0.00 0.00 0.00 51.96 49.10 3df4 s ALA 12 Cb -0.18 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 3df4 s ALA 12 CO 0.34 -2.15 -0.06 -0.89 0.00 0.00 0.00 175.76 173.01 3df4 n ILE 13 N 3.08 0.29 -1.43 0.00 5.41 -1.26 -4.77 119.36 120.68 3df4 n ILE 13 Ca 0.14 -0.09 -0.21 0.00 1.00 0.00 0.00 62.75 63.59 3df4 n ILE 13 Cb 0.38 -1.16 0.14 0.00 -0.71 0.00 0.00 39.64 38.29 3df4 n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3df4 n GLY 14 N 2.94 5.24 3.94 7.39 0.00 -1.26 -5.00 105.19 118.44 3df4 n GLY 14 Ca -0.10 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 3df4 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3df4 s ARG 15 N -3.47 3.49 0.62 1.61 3.00 -1.26 -5.06 118.95 117.88 3df4 s ARG 15 Ca 0.55 -0.37 -0.18 0.00 0.00 0.00 0.00 55.73 55.72 3df4 s ARG 15 Cb 0.46 -2.72 -0.04 0.00 0.00 0.00 0.00 34.95 32.65 3df4 s ARG 15 CO 0.03 0.23 1.04 1.28 0.00 0.00 0.00 175.30 177.89 3df4 n LEU 16 N -1.50 4.31 0.26 2.53 7.99 -1.26 -4.81 117.00 124.52 3df4 n LEU 16 Ca -0.05 0.80 0.17 0.00 -0.01 0.00 0.00 56.01 56.92 3df4 n LEU 16 Cb 0.56 -1.43 0.91 0.00 -0.11 0.00 0.00 43.42 43.35 3df4 n LEU 16 CO 0.48 -1.66 1.15 -0.65 -1.51 0.00 0.00 177.39 175.19 3df4 h PRO 17 N 0.46 0.00 -0.05 3.23 0.11 -2.00 0.20 132.00 133.94 3df4 h PRO 17 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3df4 h PRO 17 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3df4 h PRO 17 CO 0.51 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.47 3df4 n LYS 18 N -3.64 1.51 -0.08 1.05 4.81 -1.26 -3.42 118.16 117.13 3df4 n LYS 18 Ca -0.01 -0.74 -0.07 0.00 -0.87 0.00 0.00 58.31 56.62 3df4 n LYS 18 Cb 0.23 -1.45 -0.02 0.00 0.02 0.00 0.00 35.03 33.80 3df4 n LYS 18 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3df4 n HIS 19 N -0.08 0.44 -0.28 5.64 8.25 0.68 -3.82 115.22 126.04 3df4 n HIS 19 Ca 0.19 0.19 0.33 0.00 -0.26 0.00 0.00 57.72 58.17 3df4 n HIS 19 Cb 0.28 -0.62 0.74 0.00 1.12 0.00 0.00 29.99 31.52 3df4 n HIS 19 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3df4 h LYS 20 N -0.97 0.00 0.22 -0.41 1.57 -1.68 0.61 116.57 115.90 3df4 h LYS 20 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3df4 h LYS 20 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3df4 h LYS 20 CO 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.77 3df4 h ALA 21 N 1.44 -0.29 -0.07 3.86 0.00 -1.73 0.10 119.26 122.56 3df4 h ALA 21 Ca 0.52 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3df4 h ALA 21 Cb 2.12 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 3df4 h ALA 21 CO -0.01 -0.61 -0.18 1.79 0.00 0.00 0.00 179.25 180.24 3df4 h THR 22 N -0.41 1.17 -0.18 0.00 1.35 -0.11 -0.90 112.91 113.83 3df4 h THR 22 Ca -0.03 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.02 3df4 h THR 22 Cb 0.31 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3df4 h THR 22 CO 0.05 0.23 -0.02 0.25 -0.25 0.00 0.00 175.52 175.79 3df4 h LEU 23 N 0.11 0.24 0.42 3.87 7.12 0.44 -2.86 115.31 124.65 3df4 h LEU 23 Ca 0.02 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 3df4 h LEU 23 Cb 0.39 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 3df4 h LEU 23 CO 0.03 0.31 -0.20 0.25 -0.13 0.00 0.00 178.44 178.69 3df4 h LEU 24 N 0.26 -0.47 -1.54 2.25 5.85 0.64 -2.71 115.31 119.58 3df4 h LEU 24 Ca 0.06 -0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.88 3df4 h LEU 24 Cb 0.21 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3df4 h LEU 24 CO 0.01 -0.19 0.57 1.23 -0.34 0.00 0.00 178.44 179.72 3df4 h GLY 25 N -0.76 0.80 0.06 3.75 0.00 -1.45 0.90 103.07 106.36 3df4 h GLY 25 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3df4 h GLY 25 CO 0.09 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.69 3df4 n LEU 26 N -4.49 0.50 -1.91 3.11 4.77 -1.10 -4.88 117.00 113.00 3df4 n LEU 26 Ca 0.18 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 3df4 n LEU 26 Cb 0.65 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3df4 n LEU 26 CO 0.32 0.11 -0.07 0.61 -1.33 0.00 0.00 177.39 177.03 3df4 n GLY 27 N 0.85 -0.05 3.55 -0.72 0.00 0.31 -4.85 105.19 104.28 3df4 n GLY 27 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3df4 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df4 s LEU 28 N -4.20 3.50 0.00 0.99 1.43 -1.05 -4.92 118.68 114.42 3df4 s LEU 28 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3df4 s LEU 28 Cb 0.00 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3df4 s LEU 28 CO 0.00 -1.60 0.00 0.54 0.23 0.00 0.00 176.35 175.52 3df4 n ARG 29 N 8.66 0.00 -1.04 1.70 1.74 -1.26 -4.83 116.66 121.63 3df4 n ARG 29 Ca 0.04 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 3df4 n ARG 29 Cb 0.48 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.14 3df4 n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3df4 s ARG 30 N 0.06 -0.53 0.37 5.56 3.00 -1.26 -4.93 118.95 121.21 3df4 s ARG 30 Ca 0.00 0.29 0.26 0.00 0.00 0.00 0.00 55.73 56.28 3df4 s ARG 30 Cb 0.00 -1.64 0.71 0.00 0.00 0.00 0.00 34.95 34.02 3df4 s ARG 30 CO 0.00 -3.33 1.73 -0.84 0.00 0.00 0.00 175.30 172.86 3df4 h ILE 31 N -2.32 0.00 -0.53 1.52 3.07 -1.91 -3.08 117.51 114.26 3df4 h ILE 31 Ca -0.52 -0.68 -0.19 0.00 1.55 0.00 0.00 64.86 65.03 3df4 h ILE 31 Cb 1.32 1.66 -0.11 0.00 -0.27 0.00 0.00 36.82 39.42 3df4 h ILE 31 CO 0.47 0.00 0.14 0.61 -1.05 0.00 0.00 178.15 178.33 3df4 n GLY 32 N 0.89 4.23 0.00 0.16 0.00 -1.26 -3.86 105.19 105.34 3df4 n GLY 32 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3df4 n GLY 32 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3df4 n HIS 33 N -0.65 0.00 -2.63 1.61 -0.00 -1.17 -5.03 115.22 107.35 3df4 n HIS 33 Ca 0.36 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.49 3df4 n HIS 33 Cb 1.19 -0.36 -0.04 0.00 -0.12 0.00 0.00 29.99 30.66 3df4 n HIS 33 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 3df4 n THR 34 N -1.58-12.73 -3.77 3.57 -1.04 -1.26 -4.98 114.28 92.49 3df4 n THR 34 Ca 0.00 2.65 -0.21 0.00 -2.04 0.00 0.00 64.05 64.45 3df4 n THR 34 Cb 0.00 -6.59 0.00 0.00 -1.82 0.00 0.00 70.33 61.93 3df4 n THR 34 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3df4 n VAL 35 N 1.58 0.00 -3.90 12.58 3.14 -0.62 -4.86 118.33 126.25 3df4 n VAL 35 Ca -0.36 -1.74 -0.22 0.00 -2.96 0.00 0.00 64.34 59.06 3df4 n VAL 35 Cb 0.56 -0.14 -0.17 0.00 -1.06 0.00 0.00 33.84 33.03 3df4 n VAL 35 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3df4 s GLU 36 N -3.82 0.72 0.00 1.45 2.12 -1.26 0.30 118.70 118.21 3df4 s GLU 36 Ca 0.26 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.61 3df4 s GLU 36 Cb -0.02 -0.95 0.00 0.00 0.26 0.00 0.00 34.13 33.42 3df4 s GLU 36 CO 0.17 -0.23 0.00 -2.13 -0.54 0.00 0.00 175.26 172.53 3df4 n ARG 37 N 4.76 3.67 0.00 4.30 3.00 -1.07 -4.96 116.66 126.35 3df4 n ARG 37 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 3df4 n ARG 37 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 3df4 n ARG 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3df4 n GLU 38 N 0.00 0.00 -0.21 -0.14 4.71 -1.24 -4.42 120.64 119.34 3df4 n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3df4 n GLU 38 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3df4 n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3df4 n ASP 39 N 0.00 0.00 -4.59 1.62 -0.08 -1.26 -4.18 116.55 108.06 3df4 n ASP 39 Ca 0.00 -0.84 -0.44 0.00 -1.51 0.00 0.00 54.79 52.00 3df4 n ASP 39 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 3df4 n ASP 39 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3df4 n THR 40 N 0.00 2.05 -0.02 5.18 -1.04 -1.26 -4.67 114.28 114.52 3df4 n THR 40 Ca 0.00 -0.50 0.23 0.00 -2.04 0.00 0.00 64.05 61.74 3df4 n THR 40 Cb 0.42 -1.02 0.59 0.00 -1.82 0.00 0.00 70.33 68.51 3df4 n THR 40 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3df4 h PRO 41 N 1.88 0.00 0.03 -2.82 0.11 -2.00 0.14 132.00 129.34 3df4 h PRO 41 Ca -0.40 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.57 3df4 h PRO 41 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3df4 h PRO 41 CO 0.60 0.00 -0.71 0.00 -0.21 0.00 0.00 178.00 177.68 3df4 h ALA 42 N 1.02 0.11 -0.07 -0.75 0.00 -1.99 -2.92 119.26 114.66 3df4 h ALA 42 Ca 0.30 -0.85 0.02 0.00 0.00 0.00 0.00 54.91 54.39 3df4 h ALA 42 Cb 1.88 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 3df4 h ALA 42 CO -0.00 0.40 0.25 0.97 0.00 0.00 0.00 179.25 180.87 3df4 h ILE 43 N -0.84 0.11 0.04 0.00 6.09 -1.08 0.85 117.51 122.67 3df4 h ILE 43 Ca -0.18 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.04 3df4 h ILE 43 Cb 1.27 0.76 -0.03 0.00 0.47 0.00 0.00 36.82 39.29 3df4 h ILE 43 CO -0.05 0.00 -1.44 -0.09 -3.07 0.00 0.00 178.15 173.50 3df4 h ARG 44 N 0.00 0.08 -0.29 2.19 9.65 -1.33 -3.30 114.38 121.38 3df4 h ARG 44 Ca 0.03 -0.14 -0.14 0.00 -1.10 0.00 0.00 59.98 58.63 3df4 h ARG 44 Cb 0.54 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 3df4 h ARG 44 CO -0.00 0.85 -0.39 0.78 2.80 0.00 0.00 179.97 184.01 3df4 h GLY 45 N 2.74 0.75 0.76 2.80 0.00 0.86 -2.68 103.07 108.31 3df4 h GLY 45 Ca -0.19 -0.75 0.06 0.00 0.00 0.00 0.00 47.33 46.45 3df4 h GLY 45 CO 0.12 0.68 0.64 -0.33 0.00 0.00 0.00 176.54 177.65 3df4 h MET 46 N 0.57 1.13 0.48 4.80 2.86 -1.20 -2.44 114.93 121.12 3df4 h MET 46 Ca 0.05 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3df4 h MET 46 Cb 0.92 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3df4 h MET 46 CO 0.08 0.75 -0.23 0.82 1.06 0.00 0.00 176.91 179.39 3df4 h ILE 47 N 1.17 0.51 -0.98 -1.22 1.08 -1.58 -2.88 117.51 113.60 3df4 h ILE 47 Ca 0.43 -0.22 0.34 0.00 -0.39 0.00 0.00 64.86 65.01 3df4 h ILE 47 Cb 0.16 0.61 -0.16 0.00 -3.07 0.00 0.00 36.82 34.36 3df4 h ILE 47 CO -0.17 0.04 0.48 -1.13 -0.69 0.00 0.00 178.15 176.68 3df4 h ASN 48 N -0.77 0.32 0.10 1.72 -0.00 -1.12 0.28 115.58 116.11 3df4 h ASN 48 Ca -0.07 0.22 -0.00 0.00 -0.00 0.00 0.00 56.30 56.45 3df4 h ASN 48 Cb 0.55 0.22 -0.00 0.00 -0.00 0.00 0.00 38.32 39.09 3df4 h ASN 48 CO 0.11 -0.24 -0.07 0.00 -0.00 0.00 0.00 177.43 177.22 3df4 h ALA 49 N 1.90 -0.91 -0.36 1.57 0.00 -1.25 -2.83 119.26 117.37 3df4 h ALA 49 Ca 0.74 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.39 3df4 h ALA 49 Cb 1.74 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.63 3df4 h ALA 49 CO -0.68 -0.91 0.29 1.33 0.00 0.00 0.00 179.25 179.27 3df4 n VAL 50 N -2.62 2.27 0.26 0.00 0.24 -0.62 -4.44 118.33 113.41 3df4 n VAL 50 Ca -0.02 -1.10 0.18 0.00 -2.04 0.00 0.00 64.34 61.36 3df4 n VAL 50 Cb 0.07 -1.14 0.91 0.00 -1.47 0.00 0.00 33.84 32.21 3df4 n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3df4 h SER 51 N 0.95 0.00 -0.01 -1.34 4.64 -0.22 0.85 113.55 118.43 3df4 h SER 51 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3df4 h SER 51 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3df4 h SER 51 CO 0.51 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.69 3df4 n PHE 52 N -3.41 0.00 -2.23 4.77 -1.74 -1.26 -3.55 117.46 110.04 3df4 n PHE 52 Ca -0.00 -0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.92 3df4 n PHE 52 Cb 0.30 0.00 0.08 0.00 1.52 0.00 0.00 39.48 41.38 3df4 n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 3df4 n MET 53 N -0.58 0.70 -3.73 3.97 2.81 0.29 -4.73 117.12 115.84 3df4 n MET 53 Ca 0.22 -2.56 -0.12 0.00 -1.81 0.00 0.00 57.70 53.43 3df4 n MET 53 Cb 0.20 -0.66 -0.11 0.00 -0.71 0.00 0.00 33.22 31.93 3df4 n MET 53 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3df4 s VAL 54 N -1.36 -0.02 -1.16 2.03 -7.23 -1.11 -4.03 120.40 107.52 3df4 s VAL 54 Ca 0.35 0.07 0.11 0.00 -1.81 0.00 0.00 61.98 60.70 3df4 s VAL 54 Cb 0.38 -0.48 0.17 0.00 0.56 0.00 0.00 36.38 37.01 3df4 s VAL 54 CO -0.13 0.03 1.00 0.29 -0.31 0.00 0.00 175.10 175.98 3df4 n LYS 55 N 3.69 1.43 0.00 4.82 5.02 -1.25 -4.94 118.16 126.93 3df4 n LYS 55 Ca -0.20 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.61 3df4 n LYS 55 Cb 0.56 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3df4 n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3df4 n VAL 56 N 0.55 0.00 -3.72 -0.18 0.31 -1.26 -4.80 118.33 109.23 3df4 n VAL 56 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.20 3df4 n VAL 56 Cb 0.33 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.22 3df4 n VAL 56 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3df4 s GLU 57 N 0.00 2.51 0.00 5.55 0.41 0.12 -4.92 118.70 122.37 3df4 s GLU 57 Ca 0.00 -1.54 0.29 0.00 -0.41 0.00 0.00 54.97 53.31 3df4 s GLU 57 Cb 0.00 -2.32 1.20 0.00 -1.78 0.00 0.00 34.13 31.23 3df4 s GLU 57 CO 0.00 -0.11 1.83 0.39 -0.49 0.00 0.00 175.26 176.88