#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lf0 s MET 1 N 0.00 3.73 0.06 -1.40 -1.94 -1.26 -0.09 119.30 118.41 3lf0 s MET 1 Ca 0.00 0.18 0.04 0.00 -1.71 0.00 0.00 55.69 54.20 3lf0 s MET 1 Cb 0.00 -2.64 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 3lf0 s MET 1 CO 0.00 0.26 -0.12 0.15 -0.01 0.00 0.00 175.02 175.30 3lf0 s LYS 2 N -3.14 0.72 -0.24 2.03 -0.14 0.01 -2.53 119.74 116.45 3lf0 s LYS 2 Ca 0.46 -0.89 -0.10 0.00 -1.36 0.00 0.00 55.97 54.08 3lf0 s LYS 2 Cb -0.11 -0.64 -0.05 0.00 -1.68 0.00 0.00 37.83 35.35 3lf0 s LYS 2 CO 0.25 0.14 0.16 -1.17 -0.76 0.00 0.00 175.35 173.96 3lf0 s LEU 3 N -1.70 4.10 -0.18 3.17 2.96 -0.16 -0.98 118.68 125.90 3lf0 s LEU 3 Ca -0.05 0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 3lf0 s LEU 3 Cb -0.10 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3lf0 s LEU 3 CO 0.02 0.07 0.20 -0.63 -1.32 0.00 0.00 176.35 174.69 3lf0 s ILE 4 N 1.04 5.37 -0.20 6.68 1.01 0.27 -0.79 121.20 134.58 3lf0 s ILE 4 Ca 0.07 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 3lf0 s ILE 4 Cb -0.13 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.81 3lf0 s ILE 4 CO 0.04 0.42 -0.14 -0.89 0.00 0.00 0.00 174.94 174.38 3lf0 s THR 5 N 0.38 2.53 -0.19 2.92 2.01 0.49 -1.77 115.64 122.00 3lf0 s THR 5 Ca 0.12 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 3lf0 s THR 5 Cb -0.12 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.26 3lf0 s THR 5 CO 0.01 0.45 -0.13 0.00 -0.69 0.00 0.00 174.62 174.25 3lf0 s ALA 6 N 1.34 2.55 -0.40 7.40 0.00 -0.14 -0.33 121.76 132.18 3lf0 s ALA 6 Ca 0.04 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 3lf0 s ALA 6 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.60 3lf0 s ALA 6 CO -0.09 -0.33 0.31 0.42 0.00 0.00 0.00 175.76 176.07 3lf0 s ILE 7 N 1.29 5.24 0.18 0.00 -1.09 0.47 0.47 121.20 127.76 3lf0 s ILE 7 Ca 0.04 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3lf0 s ILE 7 Cb -0.14 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 3lf0 s ILE 7 CO -0.07 -0.28 0.07 0.68 -1.23 0.00 0.00 174.94 174.11 3lf0 s VAL 8 N 1.75 0.28 0.27 2.92 -7.23 -0.72 -1.72 120.40 115.95 3lf0 s VAL 8 Ca 0.06 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 3lf0 s VAL 8 Cb -0.18 -2.27 -0.11 0.00 0.56 0.00 0.00 36.38 34.37 3lf0 s VAL 8 CO 0.11 -0.28 1.62 -0.54 -0.31 0.00 0.00 175.10 175.70 3lf0 s LYS 9 N -4.04 4.13 0.47 4.82 1.02 -1.25 -0.64 119.74 124.24 3lf0 s LYS 9 Ca 0.30 2.57 0.21 0.00 0.02 0.00 0.00 55.97 59.07 3lf0 s LYS 9 Cb 0.07 -3.04 1.21 0.00 -0.52 0.00 0.00 37.83 35.55 3lf0 s LYS 9 CO 0.07 -0.66 1.92 -1.35 -0.92 0.00 0.00 175.35 174.41 3lf0 h PRO 10 N 5.39 0.24 0.00 -1.68 0.11 -1.88 -2.40 132.00 131.77 3lf0 h PRO 10 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3lf0 h PRO 10 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3lf0 h PRO 10 CO 0.84 0.16 -0.05 0.27 -0.21 0.00 0.00 178.00 179.00 3lf0 h PHE 11 N 0.25 0.00 0.00 0.65 -5.15 -1.97 -2.87 116.94 107.84 3lf0 h PHE 11 Ca 0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.14 3lf0 h PHE 11 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.26 3lf0 h PHE 11 CO -0.00 0.05 0.00 0.25 -2.00 0.00 0.00 178.31 176.61 3lf0 n THR 12 N -3.15 0.08 -0.20 0.88 -2.24 -0.90 -4.37 114.28 104.38 3lf0 n THR 12 Ca 0.01 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3lf0 n THR 12 Cb 0.39 -0.56 0.11 0.00 -2.10 0.00 0.00 70.33 68.17 3lf0 n THR 12 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3lf0 h LEU 13 N 0.00 0.21 0.11 3.22 5.85 -1.66 -0.65 115.31 122.40 3lf0 h LEU 13 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3lf0 h LEU 13 Cb 0.23 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3lf0 h LEU 13 CO 0.00 0.13 -0.17 0.44 -0.34 0.00 0.00 178.44 178.50 3lf0 h ASP 14 N 0.40 -0.46 -0.72 1.25 3.32 -1.86 0.25 116.42 118.61 3lf0 h ASP 14 Ca 0.31 0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.54 3lf0 h ASP 14 Cb 0.39 0.17 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 3lf0 h ASP 14 CO -0.31 -0.24 0.26 0.44 -1.72 0.00 0.00 179.24 177.67 3lf0 h ASP 15 N -0.33 0.22 -0.03 6.45 5.19 -1.81 -1.12 116.42 124.99 3lf0 h ASP 15 Ca 0.02 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3lf0 h ASP 15 Cb 0.34 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 3lf0 h ASP 15 CO -0.08 0.09 0.00 0.58 -3.12 0.00 0.00 179.24 176.71 3lf0 h VAL 16 N 0.41 1.25 -0.62 -1.35 2.07 -0.73 0.10 116.25 117.37 3lf0 h VAL 16 Ca 0.39 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3lf0 h VAL 16 Cb 0.58 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 3lf0 h VAL 16 CO -0.40 0.20 0.31 0.50 0.02 0.00 0.00 177.57 178.21 3lf0 h LYS 17 N -0.25 0.56 -0.33 1.57 3.64 -0.44 -0.16 116.57 121.16 3lf0 h LYS 17 Ca 0.01 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3lf0 h LYS 17 Cb 0.32 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3lf0 h LYS 17 CO 0.00 0.37 0.05 1.15 -2.27 0.00 0.00 179.45 178.75 3lf0 h THR 18 N 0.57 1.24 -0.97 1.00 2.02 -1.11 -2.41 112.91 113.25 3lf0 h THR 18 Ca 0.29 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.67 3lf0 h THR 18 Cb 0.24 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 3lf0 h THR 18 CO -0.21 0.28 0.64 -1.28 0.37 0.00 0.00 175.52 175.31 3lf0 h SER 19 N 0.38 1.05 -0.00 4.18 0.87 -0.18 -2.59 113.55 117.26 3lf0 h SER 19 Ca 0.10 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3lf0 h SER 19 Cb 0.36 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3lf0 h SER 19 CO 0.01 0.72 0.00 -0.07 -0.53 0.00 0.00 176.83 176.95 3lf0 h LEU 20 N 1.22 0.00 -1.93 2.23 3.38 -0.94 -3.01 115.31 116.26 3lf0 h LEU 20 Ca 0.39 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3lf0 h LEU 20 Cb 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3lf0 h LEU 20 CO -0.12 0.25 0.24 -0.33 0.09 0.00 0.00 178.44 178.57 3lf0 h GLU 21 N -0.25 0.08 0.00 1.13 5.08 -1.28 0.17 114.58 119.52 3lf0 h GLU 21 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3lf0 h GLU 21 Cb 0.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3lf0 h GLU 21 CO 0.00 0.05 0.00 -0.44 -1.00 0.00 0.00 179.01 177.62 3lf0 h ASP 22 N 0.08 0.00 -0.65 1.42 5.19 -1.34 -2.57 116.42 118.54 3lf0 h ASP 22 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3lf0 h ASP 22 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3lf0 h ASP 22 CO -0.01 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.11 3lf0 n ALA 23 N -1.99 2.39 -0.78 3.45 0.00 0.01 -4.94 120.51 118.64 3lf0 n ALA 23 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3lf0 n ALA 23 Cb 0.28 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3lf0 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lf0 n GLY 24 N 1.63 0.57 3.58 0.00 0.00 -0.97 -5.01 105.19 104.99 3lf0 n GLY 24 Ca 0.23 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3lf0 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lf0 s VAL 25 N -2.00 5.11 -0.56 1.61 1.01 -0.94 -5.00 120.40 119.63 3lf0 s VAL 25 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.44 3lf0 s VAL 25 Cb 0.00 -3.83 0.33 0.00 0.00 0.00 0.00 36.38 32.88 3lf0 s VAL 25 CO 0.00 -0.04 0.91 0.00 0.00 0.00 0.00 175.10 175.97 3lf0 n LEU 26 N 5.51 3.99 0.00 3.92 -0.00 -1.26 -3.34 117.00 125.81 3lf0 n LEU 26 Ca -0.07 -5.59 0.00 0.00 -0.00 0.00 0.00 56.01 50.35 3lf0 n LEU 26 Cb 0.50 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 3lf0 n LEU 26 CO 0.41 2.33 0.00 0.61 -0.00 0.00 0.00 177.39 180.74 3lf0 n GLY 27 N -0.10 3.84 3.36 1.47 0.00 -1.26 -5.17 105.19 107.33 3lf0 n GLY 27 Ca 0.30 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3lf0 n GLY 27 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3lf0 s MET 28 N -1.87 1.16 -0.17 1.61 0.00 -1.26 -4.90 119.30 113.87 3lf0 s MET 28 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 55.69 55.08 3lf0 s MET 28 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 34.83 35.34 3lf0 s MET 28 CO 0.00 -0.48 -0.11 0.99 0.00 0.00 0.00 175.02 175.42 3lf0 s THR 29 N -3.75 3.03 0.01 3.16 2.01 -0.20 -4.98 115.64 114.91 3lf0 s THR 29 Ca 0.02 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.46 3lf0 s THR 29 Cb 0.01 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3lf0 s THR 29 CO -0.12 0.49 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.37 3lf0 s VAL 30 N 0.91 1.85 0.07 3.82 1.01 -1.26 0.27 120.40 127.08 3lf0 s VAL 30 Ca -0.02 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 3lf0 s VAL 30 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3lf0 s VAL 30 CO -0.00 0.42 0.11 -0.94 0.00 0.00 0.00 175.10 174.69 3lf0 s SER 31 N -0.80 0.25 0.03 3.32 1.04 -0.51 -4.99 113.70 112.03 3lf0 s SER 31 Ca 0.09 -0.77 -0.17 0.00 0.48 0.00 0.00 55.95 55.59 3lf0 s SER 31 Cb -0.09 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.26 3lf0 s SER 31 CO 0.00 -0.68 0.48 -1.61 0.98 0.00 0.00 173.24 172.41 3lf0 s GLU 32 N -3.85 4.04 0.15 4.02 2.02 -1.26 -1.12 118.70 122.70 3lf0 s GLU 32 Ca 0.05 0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.65 3lf0 s GLU 32 Cb 0.06 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 3lf0 s GLU 32 CO -0.11 0.66 -0.12 0.96 0.02 0.00 0.00 175.26 176.67 3lf0 s ILE 33 N -1.07 1.33 -0.35 -1.63 -5.25 -0.69 -4.88 121.20 108.66 3lf0 s ILE 33 Ca 0.26 -1.94 -0.15 0.00 -0.99 0.00 0.00 60.65 57.83 3lf0 s ILE 33 Cb -0.18 -1.74 -0.01 0.00 2.95 0.00 0.00 42.46 43.49 3lf0 s ILE 33 CO 0.16 -0.58 0.37 -1.10 -1.79 0.00 0.00 174.94 172.00 3lf0 s GLN 34 N -3.27 3.51 0.16 0.37 -1.52 -1.26 -0.82 119.66 116.83 3lf0 s GLN 34 Ca 0.14 -0.45 -0.00 0.00 -1.95 0.00 0.00 55.36 53.10 3lf0 s GLN 34 Cb -0.01 -3.82 -0.04 0.00 -0.22 0.00 0.00 33.01 28.91 3lf0 s GLN 34 CO 0.03 -0.56 0.34 0.20 -0.25 0.00 0.00 175.29 175.04 3lf0 s GLY 35 N 1.74 1.86 -0.01 3.09 0.00 0.12 -4.84 107.32 109.28 3lf0 s GLY 35 Ca 0.12 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.99 3lf0 s GLY 35 CO 0.12 -0.82 -0.01 -0.47 0.00 0.00 0.00 173.10 171.91 3lf0 s TYR 36 N -1.77 0.21 0.00 1.90 6.14 -1.26 0.11 117.35 122.68 3lf0 s TYR 36 Ca 0.37 -0.01 0.00 0.00 0.64 0.00 0.00 57.07 58.07 3lf0 s TYR 36 Cb -0.11 -0.21 0.00 0.00 0.42 0.00 0.00 41.96 42.05 3lf0 s TYR 36 CO 0.28 -0.05 0.00 0.41 0.64 0.00 0.00 175.55 176.84 3lf0 n GLY 37 N 3.44 1.33 0.23 8.97 0.00 -1.26 -4.96 105.19 112.93 3lf0 n GLY 37 Ca -0.18 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.88 3lf0 n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lf0 h ARG 38 N 0.00 0.00 0.00 1.61 3.08 -2.02 -3.45 114.38 113.60 3lf0 h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lf0 h ARG 38 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3lf0 h ARG 38 CO 0.00 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 3lf0 n GLN 39 N -4.30 0.00 0.00 0.04 -0.00 -1.26 -5.08 117.38 106.78 3lf0 n GLN 39 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 3lf0 n GLN 39 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.47 3lf0 n GLN 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3lf0 n GLY 41 N 0.95 0.00 3.44 2.61 0.00 0.13 -5.01 105.19 107.31 3lf0 n GLY 41 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3lf0 n GLY 41 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3lf0 s HIS 42 N 0.00 1.75 0.15 1.61 -3.43 0.44 -4.82 115.29 111.00 3lf0 s HIS 42 Ca 0.00 -1.30 -0.10 0.00 -0.80 0.00 0.00 55.06 52.86 3lf0 s HIS 42 Cb 0.00 -1.05 -0.06 0.00 -1.43 0.00 0.00 32.58 30.03 3lf0 s HIS 42 CO 0.00 -0.37 0.47 -0.08 -2.00 0.00 0.00 174.74 172.76 3lf0 s THR 43 N -3.35 5.01 0.20 -5.38 -1.32 -1.26 -0.97 115.64 108.58 3lf0 s THR 43 Ca 0.30 0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 61.22 3lf0 s THR 43 Cb 0.04 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 3lf0 s THR 43 CO 0.16 0.12 0.13 -0.70 -2.21 0.00 0.00 174.62 172.12 3lf0 s GLU 44 N -2.35 1.22 -0.02 7.08 2.56 0.20 -4.95 118.70 122.44 3lf0 s GLU 44 Ca 0.40 -1.64 0.02 0.00 0.00 0.00 0.00 54.97 53.75 3lf0 s GLU 44 Cb -0.13 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.25 3lf0 s GLU 44 CO 0.20 -0.39 -0.07 0.54 -0.56 0.00 0.00 175.26 174.99 3lf0 s VAL 45 N -4.13 0.61 -0.22 3.70 0.11 -1.26 0.01 120.40 119.22 3lf0 s VAL 45 Ca 0.39 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 59.12 3lf0 s VAL 45 Cb 0.07 -0.54 0.07 0.00 -1.53 0.00 0.00 36.38 34.45 3lf0 s VAL 45 CO 0.12 0.19 0.06 -0.47 -3.33 0.00 0.00 175.10 171.68 3lf0 s TYR 46 N 0.12 0.88 -1.40 1.54 5.04 0.14 -4.81 117.35 118.84 3lf0 s TYR 46 Ca -0.01 -0.87 -0.10 0.00 -2.44 0.00 0.00 57.07 53.64 3lf0 s TYR 46 Cb -0.06 -1.04 0.03 0.00 0.35 0.00 0.00 41.96 41.24 3lf0 s TYR 46 CO -0.00 -0.65 1.13 0.54 -1.34 0.00 0.00 175.55 175.22 3lf0 n ARG 47 N 5.09 -7.29 0.00 4.97 1.74 -1.26 -2.48 116.66 117.43 3lf0 n ARG 47 Ca -0.07 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 3lf0 n ARG 47 Cb 0.46 -5.78 0.00 0.00 -1.02 0.00 0.00 32.46 26.12 3lf0 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lf0 n GLY 48 N -1.91 2.94 3.71 -0.13 0.00 -1.26 -5.03 105.19 103.51 3lf0 n GLY 48 Ca 0.01 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3lf0 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lf0 s ALA 49 N -2.13 3.26 0.41 4.61 0.00 -1.04 -5.02 121.76 121.85 3lf0 s ALA 49 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 3lf0 s ALA 49 Cb 0.00 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3lf0 s ALA 49 CO 0.00 -0.18 0.89 -1.21 0.00 0.00 0.00 175.76 175.26 3lf0 s GLU 50 N 0.93 4.11 0.18 0.00 2.02 -1.26 0.25 118.70 124.94 3lf0 s GLU 50 Ca 0.44 0.95 -0.11 0.00 0.02 0.00 0.00 54.97 56.27 3lf0 s GLU 50 Cb -0.19 -2.25 -0.00 0.00 0.10 0.00 0.00 34.13 31.78 3lf0 s GLU 50 CO 0.23 -0.00 0.35 1.52 0.02 0.00 0.00 175.26 177.37 3lf0 s TYR 51 N -2.18 0.32 -0.03 1.61 1.13 0.10 -4.93 117.35 113.37 3lf0 s TYR 51 Ca 0.59 -0.67 -0.03 0.00 -1.41 0.00 0.00 57.07 55.54 3lf0 s TYR 51 Cb -0.09 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.77 3lf0 s TYR 51 CO 0.17 -0.79 0.16 0.45 -2.51 0.00 0.00 175.55 173.04 3lf0 s SER 52 N -2.96 6.30 0.07 -0.18 0.15 -1.26 0.59 113.70 116.40 3lf0 s SER 52 Ca 0.17 0.35 0.02 0.00 0.70 0.00 0.00 55.95 57.19 3lf0 s SER 52 Cb 0.02 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 3lf0 s SER 52 CO 0.01 0.30 -0.07 0.68 1.20 0.00 0.00 173.24 175.35 3lf0 s VAL 53 N -1.25 0.61 0.14 4.45 -7.23 -0.14 -4.92 120.40 112.06 3lf0 s VAL 53 Ca 0.24 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 3lf0 s VAL 53 Cb -0.12 -1.18 -0.17 0.00 0.56 0.00 0.00 36.38 35.47 3lf0 s VAL 53 CO 0.15 -0.65 1.33 0.44 -0.31 0.00 0.00 175.10 176.06 3lf0 h ASP 54 N 3.68 0.45 -2.40 4.85 3.45 -1.92 0.13 116.42 124.65 3lf0 h ASP 54 Ca -0.35 -0.36 -0.51 0.00 0.43 0.00 0.00 57.03 56.24 3lf0 h ASP 54 Cb 1.18 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.79 3lf0 h ASP 54 CO 0.54 1.15 -0.46 -0.36 -1.57 0.00 0.00 179.24 178.54 3lf0 s PHE 55 N -3.27 3.44 -0.11 4.55 0.08 -1.26 0.17 117.98 121.59 3lf0 s PHE 55 Ca -0.05 0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.08 3lf0 s PHE 55 Cb 0.09 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3lf0 s PHE 55 CO 0.85 0.49 -0.23 0.54 -0.10 0.00 0.00 175.22 176.77 3lf0 s VAL 56 N -1.85 2.18 0.22 -0.44 0.11 0.12 -3.53 120.40 117.20 3lf0 s VAL 56 Ca 0.34 -0.98 -0.31 0.00 -2.93 0.00 0.00 61.98 58.10 3lf0 s VAL 56 Cb -0.10 -1.84 -0.11 0.00 -1.53 0.00 0.00 36.38 32.79 3lf0 s VAL 56 CO 0.28 0.56 1.65 -2.84 -3.33 0.00 0.00 175.10 171.42 3lf0 s PRO 57 N 0.36 4.15 0.32 1.54 0.02 -1.26 0.13 135.00 140.26 3lf0 s PRO 57 Ca -0.18 2.53 0.03 0.00 0.02 0.00 0.00 61.00 63.41 3lf0 s PRO 57 Cb -0.18 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 3lf0 s PRO 57 CO 0.08 -0.68 0.08 0.15 -0.33 0.00 0.00 177.00 176.30 3lf0 s LYS 58 N 0.75 1.63 -0.14 5.54 -0.14 -0.00 -4.56 119.74 122.82 3lf0 s LYS 58 Ca 0.71 -1.92 -0.00 0.00 -1.36 0.00 0.00 55.97 53.40 3lf0 s LYS 58 Cb -0.48 -0.70 -0.01 0.00 -1.68 0.00 0.00 37.83 34.97 3lf0 s LYS 58 CO 0.36 -0.25 -0.12 0.08 -0.76 0.00 0.00 175.35 174.65 3lf0 s VAL 59 N -3.39 3.04 -0.31 3.17 1.01 0.18 -1.71 120.40 122.40 3lf0 s VAL 59 Ca 0.35 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3lf0 s VAL 59 Cb 0.08 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3lf0 s VAL 59 CO 0.15 0.51 0.27 -0.60 0.00 0.00 0.00 175.10 175.44 3lf0 s ARG 60 N 0.50 3.78 -0.19 2.72 3.52 -0.27 -1.76 118.95 127.25 3lf0 s ARG 60 Ca -0.09 -0.35 -0.06 0.00 -0.13 0.00 0.00 55.73 55.11 3lf0 s ARG 60 Cb -0.16 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 3lf0 s ARG 60 CO 0.04 -0.33 0.02 0.42 -0.81 0.00 0.00 175.30 174.64 3lf0 s ILE 61 N 1.87 4.24 -0.17 4.11 1.01 0.18 -1.42 121.20 131.01 3lf0 s ILE 61 Ca 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3lf0 s ILE 61 Cb -0.16 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.40 3lf0 s ILE 61 CO 0.11 0.43 -0.17 -1.61 0.00 0.00 0.00 174.94 173.70 3lf0 s GLU 62 N 0.79 3.12 -0.09 2.79 2.02 0.14 -0.97 118.70 126.51 3lf0 s GLU 62 Ca 0.01 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.24 3lf0 s GLU 62 Cb -0.14 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.50 3lf0 s GLU 62 CO 0.02 -0.09 -0.13 0.08 0.02 0.00 0.00 175.26 175.16 3lf0 s VAL 63 N 1.04 1.27 -0.22 2.63 1.01 -0.73 -1.03 120.40 124.37 3lf0 s VAL 63 Ca -0.01 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 3lf0 s VAL 63 Cb -0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3lf0 s VAL 63 CO -0.05 0.39 0.62 -0.69 0.00 0.00 0.00 175.10 175.37 3lf0 s VAL 64 N 0.87 5.01 0.28 2.92 1.01 -1.26 -0.56 120.40 128.66 3lf0 s VAL 64 Ca -0.10 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.05 3lf0 s VAL 64 Cb -0.15 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3lf0 s VAL 64 CO 0.01 0.08 0.07 0.68 0.00 0.00 0.00 175.10 175.94 3lf0 s VAL 65 N 2.14 0.84 0.47 2.92 -7.23 -0.15 -4.95 120.40 114.44 3lf0 s VAL 65 Ca 0.27 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.25 3lf0 s VAL 65 Cb -0.16 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 34.05 3lf0 s VAL 65 CO 0.09 -0.06 0.97 -1.81 -0.31 0.00 0.00 175.10 173.99 3lf0 s ASP 66 N -3.37 6.78 0.18 4.85 1.11 -1.26 -0.81 116.67 124.14 3lf0 s ASP 66 Ca 0.36 1.66 -0.12 0.00 0.18 0.00 0.00 52.55 54.63 3lf0 s ASP 66 Cb 0.08 -2.53 0.21 0.00 1.07 0.00 0.00 42.92 41.75 3lf0 s ASP 66 CO 0.13 -0.48 1.15 -0.67 1.18 0.00 0.00 175.17 176.48 3lf0 n ASP 67 N -1.03 -0.44 -0.20 0.27 -0.08 0.88 -2.43 116.55 113.52 3lf0 n ASP 67 Ca 0.07 1.28 -0.08 0.00 -1.51 0.00 0.00 54.79 54.56 3lf0 n ASP 67 Cb 0.54 -0.31 0.06 0.00 2.34 0.00 0.00 41.12 43.75 3lf0 n ASP 67 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3lf0 h SER 68 N 0.00 1.00 1.21 1.67 4.64 -1.93 -2.97 113.55 117.16 3lf0 h SER 68 Ca 0.28 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3lf0 h SER 68 Cb 0.46 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3lf0 h SER 68 CO -0.74 1.03 -0.12 0.00 -0.87 0.00 0.00 176.83 176.13 3lf0 n ILE 69 N -4.19 0.37 -0.25 0.95 3.06 -1.05 -4.53 119.36 113.72 3lf0 n ILE 69 Ca 0.03 -0.19 -0.01 0.00 -2.50 0.00 0.00 62.75 60.08 3lf0 n ILE 69 Cb 0.32 -0.45 0.20 0.00 0.54 0.00 0.00 39.64 40.26 3lf0 n ILE 69 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 3lf0 h VAL 70 N 0.00 1.21 -0.24 9.51 3.04 -1.31 -2.10 116.25 126.37 3lf0 h VAL 70 Ca 0.00 -0.44 -0.19 0.00 -1.01 0.00 0.00 66.70 65.07 3lf0 h VAL 70 Cb 0.66 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 3lf0 h VAL 70 CO 0.00 0.22 -0.58 0.44 -1.01 0.00 0.00 177.57 176.64 3lf0 h ASP 71 N 1.09 0.92 -0.31 3.17 3.32 -1.80 -2.26 116.42 120.55 3lf0 h ASP 71 Ca 0.29 -0.56 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 3lf0 h ASP 71 Cb -0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3lf0 h ASP 71 CO -0.06 1.32 -0.12 0.50 -1.72 0.00 0.00 179.24 179.16 3lf0 h LYS 72 N 0.57 0.75 0.05 3.56 3.64 -1.77 -2.42 116.57 120.95 3lf0 h LYS 72 Ca -0.00 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3lf0 h LYS 72 Cb 1.19 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3lf0 h LYS 72 CO 0.13 0.84 -0.02 0.28 -2.27 0.00 0.00 179.45 178.40 3lf0 h VAL 73 N 0.68 1.22 -0.64 2.00 2.07 -1.39 -0.82 116.25 119.36 3lf0 h VAL 73 Ca 0.11 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 66.78 3lf0 h VAL 73 Cb 0.59 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 3lf0 h VAL 73 CO 0.04 0.23 0.32 0.58 0.02 0.00 0.00 177.57 178.76 3lf0 h VAL 74 N -0.48 0.90 -0.04 2.57 2.07 -1.37 -0.32 116.25 119.58 3lf0 h VAL 74 Ca -0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3lf0 h VAL 74 Cb 0.43 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3lf0 h VAL 74 CO 0.01 0.11 -0.00 -0.78 0.02 0.00 0.00 177.57 176.93 3lf0 h ASP 75 N 0.58 0.07 -0.62 0.57 1.82 -1.43 -0.89 116.42 116.52 3lf0 h ASP 75 Ca 0.30 -0.32 0.13 0.00 -0.39 0.00 0.00 57.03 56.75 3lf0 h ASP 75 Cb 0.26 -0.02 -0.11 0.00 0.68 0.00 0.00 39.33 40.15 3lf0 h ASP 75 CO -0.22 0.37 -0.03 -1.28 -1.61 0.00 0.00 179.24 176.47 3lf0 h SER 76 N -0.23 -0.33 0.30 2.28 0.87 -0.89 -0.58 113.55 114.96 3lf0 h SER 76 Ca 0.01 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3lf0 h SER 76 Cb 0.34 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3lf0 h SER 76 CO 0.00 -0.13 -0.15 0.40 -0.53 0.00 0.00 176.83 176.42 3lf0 h ILE 77 N 0.09 0.72 -0.56 2.23 2.04 -0.83 -2.64 117.51 118.56 3lf0 h ILE 77 Ca 0.32 -0.13 0.11 0.00 1.00 0.00 0.00 64.86 66.16 3lf0 h ILE 77 Cb 0.51 0.79 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 3lf0 h ILE 77 CO -0.55 0.03 -0.26 0.58 0.00 0.00 0.00 178.15 177.95 3lf0 h VAL 78 N -0.48 0.26 -0.01 1.67 2.07 -0.81 -0.77 116.25 118.19 3lf0 h VAL 78 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3lf0 h VAL 78 Cb 0.36 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3lf0 h VAL 78 CO 0.07 0.00 -0.08 0.03 0.02 0.00 0.00 177.57 177.60 3lf0 h ARG 79 N -0.12 0.01 0.00 1.57 3.08 -1.09 -1.47 114.38 116.36 3lf0 h ARG 79 Ca 0.25 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 3lf0 h ARG 79 Cb 0.51 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3lf0 h ARG 79 CO -0.63 0.10 -0.83 0.00 -1.07 0.00 0.00 179.97 177.54 3lf0 h ALA 80 N 1.90 0.65 0.00 0.04 0.00 -0.96 -3.36 119.26 117.54 3lf0 h ALA 80 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3lf0 h ALA 80 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3lf0 h ALA 80 CO 0.01 0.24 -1.37 0.00 0.00 0.00 0.00 179.25 178.13 3lf0 n ALA 81 N -2.21 3.79 -2.51 0.00 0.00 -0.38 -4.56 120.51 114.64 3lf0 n ALA 81 Ca -0.01 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 3lf0 n ALA 81 Cb 0.62 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 3lf0 n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3lf0 s ARG 82 N -3.11 4.40 0.00 0.00 3.52 -0.58 -4.79 118.95 118.38 3lf0 s ARG 82 Ca 0.01 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.23 3lf0 s ARG 82 Cb 0.14 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3lf0 s ARG 82 CO 0.83 -0.36 0.00 0.25 -0.81 0.00 0.00 175.30 175.22 3lf0 n THR 83 N 4.42 0.00 0.00 4.11 -2.24 -1.26 -4.99 114.28 114.31 3lf0 n THR 83 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3lf0 n THR 83 Cb 0.47 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3lf0 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lf0 n GLY 84 N 2.73 2.35 3.91 3.38 0.00 -1.26 -5.06 105.19 111.24 3lf0 n GLY 84 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3lf0 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lf0 s LYS 85 N -0.06 2.23 0.66 1.61 1.02 -1.26 -5.07 119.74 118.87 3lf0 s LYS 85 Ca 0.00 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.88 3lf0 s LYS 85 Cb 0.00 -2.06 -0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3lf0 s LYS 85 CO 0.00 -1.33 1.07 0.96 -0.92 0.00 0.00 175.35 175.13 3lf0 s ILE 86 N -3.39 3.74 0.00 2.17 -4.36 -1.26 -4.17 121.20 113.94 3lf0 s ILE 86 Ca 0.60 0.69 0.00 0.00 -0.26 0.00 0.00 60.65 61.68 3lf0 s ILE 86 Cb -0.11 -3.28 0.00 0.00 1.25 0.00 0.00 42.46 40.32 3lf0 s ILE 86 CO 0.48 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.65 3lf0 n GLY 87 N -1.30 0.56 0.36 6.27 0.00 -1.26 -4.96 105.19 104.86 3lf0 n GLY 87 Ca 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.51 3lf0 n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lf0 h ASP 88 N 0.00 1.03 0.00 1.61 3.32 -1.90 -3.41 116.42 117.08 3lf0 h ASP 88 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lf0 h ASP 88 Cb 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3lf0 h ASP 88 CO 0.00 0.69 0.00 0.61 -1.72 0.00 0.00 179.24 178.82 3lf0 n GLY 89 N -1.36 0.23 3.47 2.75 0.00 -1.25 -3.75 105.19 105.28 3lf0 n GLY 89 Ca 0.14 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 3lf0 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lf0 s LYS 90 N 0.00 0.86 -0.07 1.61 1.02 -0.70 -5.00 119.74 117.46 3lf0 s LYS 90 Ca 0.00 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.41 3lf0 s LYS 90 Cb 0.00 0.41 0.01 0.00 -0.52 0.00 0.00 37.83 37.73 3lf0 s LYS 90 CO 0.00 -0.21 -0.12 0.54 -0.92 0.00 0.00 175.35 174.64 3lf0 s VAL 91 N -0.66 1.14 0.09 3.17 0.11 -1.26 -0.39 120.40 122.60 3lf0 s VAL 91 Ca -0.07 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 3lf0 s VAL 91 Cb -0.03 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 3lf0 s VAL 91 CO 0.06 0.36 -0.15 -1.66 -3.33 0.00 0.00 175.10 170.37 3lf0 s TRP 92 N 0.71 1.34 -0.03 1.54 -2.14 0.54 -4.96 118.94 115.94 3lf0 s TRP 92 Ca -0.14 -0.49 0.02 0.00 2.66 0.00 0.00 56.10 58.15 3lf0 s TRP 92 Cb -0.16 -0.73 -0.03 0.00 -3.10 0.00 0.00 33.47 29.45 3lf0 s TRP 92 CO 0.03 0.10 -0.05 0.08 -2.66 0.00 0.00 176.95 174.45 3lf0 s VAL 93 N -1.60 3.78 0.05 -0.66 1.01 -1.26 -0.38 120.40 121.35 3lf0 s VAL 93 Ca 0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3lf0 s VAL 93 Cb -0.08 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3lf0 s VAL 93 CO 0.03 0.47 0.02 -0.94 0.00 0.00 0.00 175.10 174.68 3lf0 s SER 94 N -1.20 0.35 0.45 3.32 1.04 0.03 -4.98 113.70 112.73 3lf0 s SER 94 Ca 0.16 -0.80 -0.23 0.00 0.48 0.00 0.00 55.95 55.56 3lf0 s SER 94 Cb -0.11 0.21 -0.08 0.00 0.10 0.00 0.00 66.02 66.14 3lf0 s SER 94 CO 0.05 -0.56 1.12 -2.16 0.98 0.00 0.00 173.24 172.67 3lf0 s PRO 95 N -3.33 3.84 -0.19 4.02 0.04 -1.26 -0.99 135.00 137.13 3lf0 s PRO 95 Ca 0.01 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.70 3lf0 s PRO 95 Cb 0.03 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.24 3lf0 s PRO 95 CO -0.08 -0.46 -0.10 0.08 0.04 0.00 0.00 177.00 176.48 3lf0 s VAL 96 N -1.64 1.55 0.04 -0.36 1.01 -1.05 -4.68 120.40 115.27 3lf0 s VAL 96 Ca 0.63 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 3lf0 s VAL 96 Cb -0.25 -1.61 -0.17 0.00 0.00 0.00 0.00 36.38 34.34 3lf0 s VAL 96 CO 0.30 0.21 1.52 0.44 0.00 0.00 0.00 175.10 177.58 3lf0 h ASP 97 N 8.01 -0.04 -5.00 3.32 3.45 -1.97 -3.35 116.42 120.84 3lf0 h ASP 97 Ca -0.29 -0.20 -0.07 0.00 0.43 0.00 0.00 57.03 56.90 3lf0 h ASP 97 Cb 1.11 0.01 -0.19 0.00 -0.56 0.00 0.00 39.33 39.70 3lf0 h ASP 97 CO 0.47 0.18 0.07 0.28 -1.57 0.00 0.00 179.24 178.67 3lf0 s THR 98 N -5.34 0.02 -0.01 0.35 -1.32 -1.26 -4.93 115.64 103.15 3lf0 s THR 98 Ca -0.14 -0.13 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 3lf0 s THR 98 Cb 0.04 -0.91 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 3lf0 s THR 98 CO 0.66 -0.07 -0.13 -0.51 -2.21 0.00 0.00 174.62 172.36 3lf0 s ILE 99 N -1.34 0.99 0.01 5.08 2.07 -1.26 -5.05 121.20 121.70 3lf0 s ILE 99 Ca -0.11 -0.55 0.03 0.00 -1.41 0.00 0.00 60.65 58.61 3lf0 s ILE 99 Cb -0.01 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 3lf0 s ILE 99 CO 0.08 0.27 -0.10 0.54 -1.91 0.00 0.00 174.94 173.81 3lf0 s VAL 100 N -0.31 0.80 -0.05 4.00 0.11 -1.26 -2.16 120.40 121.52 3lf0 s VAL 100 Ca 0.05 -0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 58.20 3lf0 s VAL 100 Cb -0.05 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 3lf0 s VAL 100 CO -0.00 0.10 0.95 -0.60 -3.33 0.00 0.00 175.10 172.21 3lf0 s ARG 101 N -0.57 4.48 0.19 1.54 3.52 0.58 -4.96 118.95 123.73 3lf0 s ARG 101 Ca 0.02 1.33 -0.12 0.00 -0.13 0.00 0.00 55.73 56.82 3lf0 s ARG 101 Cb -0.05 -3.49 0.11 0.00 -1.56 0.00 0.00 34.95 29.95 3lf0 s ARG 101 CO 0.00 -0.15 1.85 0.28 -0.81 0.00 0.00 175.30 176.48 3lf0 h VAL 102 N 4.92 1.15 -0.56 7.11 2.07 -1.94 -0.64 116.25 128.38 3lf0 h VAL 102 Ca -0.37 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 3lf0 h VAL 102 Cb 1.19 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3lf0 h VAL 102 CO 0.79 0.15 -0.05 -0.09 0.02 0.00 0.00 177.57 178.39 3lf0 h ARG 103 N 0.83 1.00 0.00 1.57 2.43 -1.99 -3.36 114.38 114.87 3lf0 h ARG 103 Ca 0.23 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3lf0 h ARG 103 Cb -0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3lf0 h ARG 103 CO -0.05 1.02 -1.56 0.25 -1.51 0.00 0.00 179.97 178.11 3lf0 n THR 104 N -4.16 0.18 -0.99 0.20 -2.24 -1.20 -4.99 114.28 101.07 3lf0 n THR 104 Ca 0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3lf0 n THR 104 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3lf0 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lf0 n GLY 105 N 1.98 0.43 3.76 3.38 0.00 -0.25 -5.00 105.19 109.49 3lf0 n GLY 105 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3lf0 n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lf0 n GLU 106 N -2.13 2.51 -4.38 1.61 1.02 -1.26 -4.67 120.64 113.33 3lf0 n GLU 106 Ca 0.00 0.88 -0.25 0.00 -0.02 0.00 0.00 57.16 57.77 3lf0 n GLU 106 Cb 0.10 -2.61 -0.10 0.00 -0.02 0.00 0.00 31.44 28.81 3lf0 n GLU 106 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3lf0 s ARG 107 N -2.13 1.86 3.68 3.49 3.52 -1.26 -0.31 118.95 127.80 3lf0 s ARG 107 Ca 0.55 -1.50 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 3lf0 s ARG 107 Cb -0.49 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 3lf0 s ARG 107 CO 0.62 0.38 0.00 0.41 -0.81 0.00 0.00 175.30 175.91 3lf0 n GLY 108 N -0.27 0.29 0.34 8.12 0.00 -0.92 -2.75 105.19 110.01 3lf0 n GLY 108 Ca -0.09 -0.93 0.17 0.00 0.00 0.00 0.00 46.02 45.17 3lf0 n GLY 108 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3lf0 h HIS 109 N 0.00 0.00 0.00 1.61 -0.00 -1.97 -0.89 115.15 113.90 3lf0 h HIS 109 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 3lf0 h HIS 109 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3lf0 h HIS 109 CO 0.00 0.00 -0.21 -0.44 -0.00 0.00 0.00 177.93 177.28 3lf0 h ASP 110 N 0.00 0.00 1.01 3.26 3.32 -1.88 -3.03 116.42 119.09 3lf0 h ASP 110 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3lf0 h ASP 110 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3lf0 h ASP 110 CO -0.00 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 3lf0 n ALA 111 N -2.31 2.29 1.71 3.45 0.00 -0.34 -4.81 120.51 120.51 3lf0 n ALA 111 Ca -0.01 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.49 3lf0 n ALA 111 Cb 0.33 -1.46 0.71 0.00 0.00 0.00 0.00 19.45 19.03 3lf0 n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78