#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lf0 n HIS 0 N 0.00 1.64 -4.24 0.66 -0.00 -1.26 -4.98 115.22 107.04 3lf0 n HIS 0 Ca 0.00 -1.68 -0.34 0.00 -0.00 0.00 0.00 57.72 55.70 3lf0 n HIS 0 Cb 0.00 -0.62 -0.08 0.00 -0.00 0.00 0.00 29.99 29.28 3lf0 n HIS 0 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3lf0 s MET 1 N -3.27 2.97 0.02 -0.41 -1.94 -1.26 0.15 119.30 115.57 3lf0 s MET 1 Ca 0.48 -0.48 0.02 0.00 -1.71 0.00 0.00 55.69 54.01 3lf0 s MET 1 Cb 0.43 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 3lf0 s MET 1 CO 0.03 0.67 -0.07 0.15 -0.01 0.00 0.00 175.02 175.78 3lf0 s LYS 2 N -1.35 0.54 -0.18 2.03 -0.14 -0.24 -1.86 119.74 118.55 3lf0 s LYS 2 Ca 0.18 -0.49 -0.14 0.00 -1.36 0.00 0.00 55.97 54.16 3lf0 s LYS 2 Cb -0.12 -0.43 -0.04 0.00 -1.68 0.00 0.00 37.83 35.56 3lf0 s LYS 2 CO 0.08 0.10 0.31 -1.17 -0.76 0.00 0.00 175.35 173.91 3lf0 s LEU 3 N -0.85 4.21 -0.20 3.17 2.96 0.10 -0.94 118.68 127.14 3lf0 s LEU 3 Ca -0.03 0.48 -0.14 0.00 -0.22 0.00 0.00 54.13 54.22 3lf0 s LEU 3 Cb -0.06 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 3lf0 s LEU 3 CO 0.00 0.05 0.33 -0.63 -1.32 0.00 0.00 176.35 174.78 3lf0 s ILE 4 N 0.72 5.26 -0.17 6.68 1.01 -0.16 -0.97 121.20 133.55 3lf0 s ILE 4 Ca 0.17 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.40 3lf0 s ILE 4 Cb -0.13 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3lf0 s ILE 4 CO 0.05 0.30 -0.20 -0.89 0.00 0.00 0.00 174.94 174.20 3lf0 s THR 5 N 1.07 2.08 -0.16 2.92 2.01 0.22 -1.29 115.64 122.49 3lf0 s THR 5 Ca 0.16 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3lf0 s THR 5 Cb -0.14 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 3lf0 s THR 5 CO 0.06 0.54 -0.15 0.00 -0.69 0.00 0.00 174.62 174.39 3lf0 s ALA 6 N 1.17 2.51 -0.38 7.40 0.00 -0.00 0.83 121.76 133.29 3lf0 s ALA 6 Ca 0.02 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 3lf0 s ALA 6 Cb -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3lf0 s ALA 6 CO -0.10 -0.04 0.23 0.42 0.00 0.00 0.00 175.76 176.26 3lf0 s ILE 7 N 0.84 4.75 0.18 0.00 -1.09 0.63 -0.75 121.20 125.76 3lf0 s ILE 7 Ca -0.05 -0.80 0.02 0.00 -2.23 0.00 0.00 60.65 57.60 3lf0 s ILE 7 Cb -0.15 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 3lf0 s ILE 7 CO -0.00 -0.25 -0.01 0.68 -1.23 0.00 0.00 174.94 174.14 3lf0 s VAL 8 N 1.59 0.79 0.20 2.92 -7.23 -0.40 -1.98 120.40 116.28 3lf0 s VAL 8 Ca 0.03 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.90 3lf0 s VAL 8 Cb -0.19 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 3lf0 s VAL 8 CO 0.07 -0.46 1.45 -0.54 -0.31 0.00 0.00 175.10 175.31 3lf0 s LYS 9 N -3.89 4.28 0.52 4.82 1.02 -1.26 -1.31 119.74 123.92 3lf0 s LYS 9 Ca 0.24 2.25 0.30 0.00 0.02 0.00 0.00 55.97 58.79 3lf0 s LYS 9 Cb 0.06 -3.15 1.44 0.00 -0.52 0.00 0.00 37.83 35.65 3lf0 s LYS 9 CO 0.05 -0.45 1.87 -1.35 -0.92 0.00 0.00 175.35 174.55 3lf0 h PRO 10 N 5.81 0.05 0.00 -1.68 0.11 -1.89 -1.69 132.00 132.72 3lf0 h PRO 10 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3lf0 h PRO 10 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3lf0 h PRO 10 CO 0.83 0.04 0.00 1.97 -0.21 0.00 0.00 178.00 180.62 3lf0 n PHE 11 N -4.30 0.37 1.65 0.65 1.16 -1.26 -3.14 117.46 112.59 3lf0 n PHE 11 Ca 0.20 0.11 0.14 0.00 -1.87 0.00 0.00 57.45 56.04 3lf0 n PHE 11 Cb 0.97 -0.69 0.65 0.00 -1.61 0.00 0.00 39.48 38.80 3lf0 n PHE 11 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3lf0 n THR 12 N -1.81 0.01 -0.10 1.97 -2.24 -0.63 -4.41 114.28 107.07 3lf0 n THR 12 Ca 0.06 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 3lf0 n THR 12 Cb 0.35 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.56 0.43 -0.09 3.22 5.85 -1.70 0.24 115.31 124.82 3lf0 h LEU 13 Ca 0.00 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3lf0 h LEU 13 Cb 0.33 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3lf0 h LEU 13 CO 0.00 0.48 -0.06 0.44 -0.34 0.00 0.00 178.44 178.96 3lf0 h ASP 14 N 0.35 0.21 -0.81 1.25 3.32 -1.86 0.95 116.42 119.84 3lf0 h ASP 14 Ca 0.10 -0.44 0.19 0.00 0.02 0.00 0.00 57.03 56.90 3lf0 h ASP 14 Cb 0.19 -0.06 -0.14 0.00 0.22 0.00 0.00 39.33 39.53 3lf0 h ASP 14 CO -0.01 0.61 -0.02 0.44 -1.72 0.00 0.00 179.24 178.53 3lf0 h ASP 15 N -0.18 -0.44 -0.43 6.45 3.32 -1.83 0.71 116.42 124.03 3lf0 h ASP 15 Ca 0.02 0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3lf0 h ASP 15 Cb 0.53 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3lf0 h ASP 15 CO 0.02 -0.22 -0.13 0.58 -1.72 0.00 0.00 179.24 177.76 3lf0 h VAL 16 N 0.07 1.28 -0.17 -1.35 2.07 0.04 -1.67 116.25 116.52 3lf0 h VAL 16 Ca 0.44 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3lf0 h VAL 16 Cb 0.80 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3lf0 h VAL 16 CO -0.74 0.42 0.05 0.50 0.02 0.00 0.00 177.57 177.82 3lf0 h LYS 17 N 0.67 0.13 -0.70 1.57 3.64 0.19 -1.55 116.57 120.51 3lf0 h LYS 17 Ca 0.10 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3lf0 h LYS 17 Cb 0.68 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3lf0 h LYS 17 CO 0.05 0.08 0.18 1.79 -2.27 0.00 0.00 179.45 179.28 3lf0 h THR 18 N 0.13 1.26 -0.90 1.00 1.35 -0.91 -2.59 112.91 112.24 3lf0 h THR 18 Ca 0.07 -0.95 0.01 0.00 -0.55 0.00 0.00 66.41 65.00 3lf0 h THR 18 Cb 0.05 0.52 -0.05 0.00 -1.73 0.00 0.00 68.15 66.95 3lf0 h THR 18 CO -0.08 0.37 0.59 -1.28 -0.25 0.00 0.00 175.52 174.87 3lf0 h SER 19 N 1.06 1.02 -0.47 5.36 0.87 -1.14 -2.77 113.55 117.47 3lf0 h SER 19 Ca 0.22 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 3lf0 h SER 19 Cb 0.35 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3lf0 h SER 19 CO -0.00 0.73 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.87 3lf0 h LEU 20 N 1.20 0.93 -0.91 2.23 3.38 -1.11 -2.87 115.31 118.16 3lf0 h LEU 20 Ca 0.34 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3lf0 h LEU 20 Cb -0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 3lf0 h LEU 20 CO -0.08 1.03 0.50 -0.33 0.09 0.00 0.00 178.44 179.65 3lf0 h GLU 21 N 0.84 1.26 0.00 1.13 4.39 -1.20 0.92 114.58 121.93 3lf0 h GLU 21 Ca 0.14 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3lf0 h GLU 21 Cb 0.62 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3lf0 h GLU 21 CO 0.04 0.92 -0.12 -0.44 -1.16 0.00 0.00 179.01 178.25 3lf0 h ASP 22 N 1.27 0.00 -0.32 1.42 5.19 -1.43 0.12 116.42 122.66 3lf0 h ASP 22 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 3lf0 h ASP 22 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3lf0 h ASP 22 CO -0.05 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.19 3lf0 n ALA 23 N -2.23 2.51 -1.18 3.45 0.00 -0.99 -4.92 120.51 117.14 3lf0 n ALA 23 Ca -0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 3lf0 n ALA 23 Cb 0.27 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 0.95 0.77 3.62 0.00 0.00 0.40 -5.00 105.19 105.94 3lf0 n GLY 24 Ca 0.11 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.95 5.20 0.00 1.61 1.01 0.28 -4.98 120.40 121.57 3lf0 s VAL 25 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3lf0 s VAL 25 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3lf0 s VAL 25 CO 0.00 0.20 0.00 0.18 0.00 0.00 0.00 175.10 175.48 3lf0 n LEU 26 N 5.04 1.05 -4.70 3.92 4.77 -1.26 -2.92 117.00 122.90 3lf0 n LEU 26 Ca -0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 3lf0 n LEU 26 Cb 0.51 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.74 3lf0 n LEU 26 CO 0.38 0.00 0.66 -0.83 -1.33 0.00 0.00 177.39 176.27 3lf0 s GLY 27 N -0.77 1.64 0.01 -0.72 0.00 -1.26 -4.82 107.32 101.40 3lf0 s GLY 27 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.61 3lf0 s GLY 27 CO 0.00 0.62 0.73 -3.16 0.00 0.00 0.00 173.10 171.29 3lf0 s MET 28 N -4.82 1.03 -0.14 2.90 0.23 -1.26 -4.93 119.30 112.32 3lf0 s MET 28 Ca 0.64 -0.09 -0.01 0.00 -1.03 0.00 0.00 55.69 55.21 3lf0 s MET 28 Cb -0.19 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.57 3lf0 s MET 28 CO 0.58 -0.39 -0.12 -0.08 -2.03 0.00 0.00 175.02 172.98 3lf0 s THR 29 N -2.34 3.12 -0.06 3.16 -1.32 -0.37 -4.99 115.64 112.85 3lf0 s THR 29 Ca -0.03 -0.63 0.03 0.00 -1.21 0.00 0.00 61.69 59.85 3lf0 s THR 29 Cb -0.01 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 3lf0 s THR 29 CO -0.02 0.51 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.06 3lf0 s VAL 30 N 0.45 1.35 0.05 5.08 1.01 -1.26 -0.90 120.40 126.18 3lf0 s VAL 30 Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3lf0 s VAL 30 Cb -0.16 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3lf0 s VAL 30 CO 0.04 0.40 -0.07 -0.94 0.00 0.00 0.00 175.10 174.53 3lf0 s SER 31 N 0.34 0.88 0.11 3.32 1.04 -0.54 -4.98 113.70 113.87 3lf0 s SER 31 Ca -0.10 -0.67 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 3lf0 s SER 31 Cb -0.14 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.98 3lf0 s SER 31 CO 0.04 -0.28 0.99 -1.61 0.98 0.00 0.00 173.24 173.36 3lf0 s GLU 32 N -2.18 4.65 0.29 4.02 2.02 -1.26 -0.59 118.70 125.66 3lf0 s GLU 32 Ca -0.05 1.50 0.04 0.00 0.02 0.00 0.00 54.97 56.49 3lf0 s GLU 32 Cb -0.06 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.74 3lf0 s GLU 32 CO -0.01 0.14 0.02 0.96 0.02 0.00 0.00 175.26 176.39 3lf0 s ILE 33 N 0.13 1.24 -0.24 -1.63 -5.25 -0.41 -4.90 121.20 110.14 3lf0 s ILE 33 Ca 0.48 -2.03 -0.04 0.00 -0.99 0.00 0.00 60.65 58.07 3lf0 s ILE 33 Cb -0.24 -2.61 0.00 0.00 2.95 0.00 0.00 42.46 42.56 3lf0 s ILE 33 CO 0.30 -0.14 -0.01 -1.10 -1.79 0.00 0.00 174.94 172.20 3lf0 s GLN 34 N -3.85 3.21 -0.25 0.37 -0.21 -1.26 -1.58 119.66 116.08 3lf0 s GLN 34 Ca 0.33 -0.75 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 3lf0 s GLN 34 Cb 0.07 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.93 3lf0 s GLN 34 CO 0.13 -0.30 0.15 0.20 -2.12 0.00 0.00 175.29 173.36 3lf0 s GLY 35 N 1.46 1.93 -0.28 3.09 0.00 0.13 -4.88 107.32 108.76 3lf0 s GLY 35 Ca 0.04 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 3lf0 s GLY 35 CO -0.02 0.49 0.18 -0.19 0.00 0.00 0.00 173.10 173.55 3lf0 s TYR 36 N 1.35 3.20 0.00 1.90 1.51 -1.26 -0.45 117.35 123.61 3lf0 s TYR 36 Ca 0.07 0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 3lf0 s TYR 36 Cb -0.15 -2.37 0.00 0.00 -0.11 0.00 0.00 41.96 39.34 3lf0 s TYR 36 CO 0.07 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 3lf0 n GLY 37 N 5.04 -1.54 2.40 0.71 0.00 -1.26 -5.08 105.19 105.47 3lf0 n GLY 37 Ca -0.14 0.39 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 3lf0 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lf0 n ARG 38 N -2.16 0.83 0.00 1.61 3.00 -1.26 -5.16 116.66 113.52 3lf0 n ARG 38 Ca 0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 57.85 55.13 3lf0 n ARG 38 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.10 3lf0 n ARG 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3lf0 n ASP 54 N 1.04 0.00 -4.83 0.55 5.75 -1.26 -4.90 116.55 112.90 3lf0 n ASP 54 Ca 0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.73 3lf0 n ASP 54 Cb 0.61 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.66 3lf0 n ASP 54 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3lf0 s PHE 55 N 0.00 2.98 -0.07 2.11 -0.12 -1.26 -4.73 117.98 116.89 3lf0 s PHE 55 Ca 0.00 -0.22 0.04 0.00 -0.05 0.00 0.00 56.93 56.70 3lf0 s PHE 55 Cb 0.00 -1.60 -0.02 0.00 -0.63 0.00 0.00 43.02 40.78 3lf0 s PHE 55 CO 0.00 0.35 -0.18 0.08 -0.05 0.00 0.00 175.22 175.42 3lf0 s VAL 56 N -2.23 2.69 0.28 -2.49 1.01 0.41 -4.90 120.40 115.16 3lf0 s VAL 56 Ca 0.37 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3lf0 s VAL 56 Cb -0.07 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 3lf0 s VAL 56 CO 0.26 0.57 1.44 -2.84 0.00 0.00 0.00 175.10 174.52 3lf0 s PRO 57 N -0.24 4.25 0.16 2.72 0.02 -1.26 0.18 135.00 140.83 3lf0 s PRO 57 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3lf0 s PRO 57 Cb -0.13 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3lf0 s PRO 57 CO 0.03 -0.41 0.04 0.15 -0.33 0.00 0.00 177.00 176.48 3lf0 s LYS 58 N -0.78 1.04 -0.05 5.54 -0.14 -0.62 -4.54 119.74 120.19 3lf0 s LYS 58 Ca 0.57 -1.50 -0.02 0.00 -1.36 0.00 0.00 55.97 53.66 3lf0 s LYS 58 Cb -0.43 0.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.70 3lf0 s LYS 58 CO 0.47 -0.22 0.07 0.14 -0.76 0.00 0.00 175.35 175.05 3lf0 s VAL 59 N -3.88 4.75 -0.22 3.17 -7.23 -0.43 -1.28 120.40 115.28 3lf0 s VAL 59 Ca 0.25 -0.24 -0.07 0.00 -1.81 0.00 0.00 61.98 60.11 3lf0 s VAL 59 Cb 0.07 -3.10 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 3lf0 s VAL 59 CO 0.04 0.48 0.06 -0.60 -0.31 0.00 0.00 175.10 174.76 3lf0 s ARG 60 N -1.35 3.74 -0.16 4.82 3.52 0.24 -1.27 118.95 128.49 3lf0 s ARG 60 Ca 0.19 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 3lf0 s ARG 60 Cb -0.12 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3lf0 s ARG 60 CO 0.09 -0.03 -0.08 0.42 -0.81 0.00 0.00 175.30 174.89 3lf0 s ILE 61 N 1.18 3.43 -0.10 4.11 1.01 0.07 -1.47 121.20 129.43 3lf0 s ILE 61 Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3lf0 s ILE 61 Cb -0.14 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 3lf0 s ILE 61 CO 0.03 0.49 -0.20 -1.61 0.00 0.00 0.00 174.94 173.65 3lf0 s GLU 62 N 0.58 2.69 -0.03 2.79 2.02 -0.08 -0.82 118.70 125.85 3lf0 s GLU 62 Ca -0.05 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.20 3lf0 s GLU 62 Cb -0.15 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 31.98 3lf0 s GLU 62 CO 0.03 0.07 -0.01 0.54 0.02 0.00 0.00 175.26 175.91 3lf0 s VAL 63 N 0.61 0.28 -0.03 2.63 0.11 -0.41 -1.24 120.40 122.35 3lf0 s VAL 63 Ca -0.13 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.69 3lf0 s VAL 63 Cb -0.17 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 3lf0 s VAL 63 CO 0.04 0.16 0.68 -0.69 -3.33 0.00 0.00 175.10 171.96 3lf0 s VAL 64 N 0.87 4.94 0.13 2.04 1.01 -1.26 -0.99 120.40 127.14 3lf0 s VAL 64 Ca -0.09 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 3lf0 s VAL 64 Cb -0.13 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3lf0 s VAL 64 CO -0.01 0.32 0.05 0.68 0.00 0.00 0.00 175.10 176.14 3lf0 s VAL 65 N 0.33 0.16 0.39 2.92 -7.23 -0.11 -4.99 120.40 111.86 3lf0 s VAL 65 Ca 0.36 -1.92 -0.25 0.00 -1.81 0.00 0.00 61.98 58.36 3lf0 s VAL 65 Cb -0.18 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 3lf0 s VAL 65 CO 0.19 -0.48 1.10 -1.81 -0.31 0.00 0.00 175.10 173.79 3lf0 s ASP 66 N -3.06 6.67 0.59 4.85 -0.00 -1.26 -1.08 116.67 123.38 3lf0 s ASP 66 Ca 0.24 2.18 0.35 0.00 -0.00 0.00 0.00 52.55 55.32 3lf0 s ASP 66 Cb 0.07 -2.60 1.86 0.00 -0.00 0.00 0.00 42.92 42.25 3lf0 s ASP 66 CO 0.02 -0.56 2.20 -2.24 -0.00 0.00 0.00 175.17 174.58 3lf0 h ASP 67 N 2.62 0.00 0.14 0.27 3.04 0.11 -2.63 116.42 119.97 3lf0 h ASP 67 Ca -0.48 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.30 3lf0 h ASP 67 Cb 1.22 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3lf0 h ASP 67 CO 0.63 0.04 -0.03 0.77 -2.04 0.00 0.00 179.24 178.61 3lf0 h SER 68 N 0.00 0.00 -0.01 4.15 4.64 -1.93 -3.02 113.55 117.39 3lf0 h SER 68 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lf0 h SER 68 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3lf0 h SER 68 CO 0.00 0.03 -0.05 2.30 -0.87 0.00 0.00 176.83 178.24 3lf0 n ILE 69 N -3.51 0.00 -0.21 0.95 -5.35 -1.01 -4.80 119.36 105.43 3lf0 n ILE 69 Ca -0.03 -0.47 0.02 0.00 -0.27 0.00 0.00 62.75 62.00 3lf0 n ILE 69 Cb 0.12 1.09 0.13 0.00 -1.74 0.00 0.00 39.64 39.24 3lf0 n ILE 69 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 3lf0 h VAL 70 N 0.82 0.65 0.25 7.28 -1.51 -1.38 -1.54 116.25 120.82 3lf0 h VAL 70 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3lf0 h VAL 70 Cb 0.20 0.31 -0.04 0.00 -2.13 0.00 0.00 31.29 29.64 3lf0 h VAL 70 CO 0.00 0.06 -0.51 0.44 -1.23 0.00 0.00 177.57 176.33 3lf0 h ASP 71 N 0.31 -1.49 -0.51 4.19 3.32 -1.87 0.07 116.42 120.44 3lf0 h ASP 71 Ca 0.34 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.55 3lf0 h ASP 71 Cb 0.50 0.53 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3lf0 h ASP 71 CO -0.40 -0.59 0.34 0.11 -1.72 0.00 0.00 179.24 176.97 3lf0 h LYS 72 N -0.83 0.64 -0.17 3.56 6.56 -1.81 -1.68 116.57 122.84 3lf0 h LYS 72 Ca -0.02 -0.04 -0.21 0.00 -1.06 0.00 0.00 60.65 59.32 3lf0 h LYS 72 Cb 0.79 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.31 3lf0 h LYS 72 CO -0.21 0.42 -0.72 0.28 -2.06 0.00 0.00 179.45 177.16 3lf0 h VAL 73 N 0.66 1.29 -0.04 0.50 2.07 -1.09 -1.97 116.25 117.67 3lf0 h VAL 73 Ca 0.19 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 65.78 3lf0 h VAL 73 Cb -0.04 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3lf0 h VAL 73 CO -0.04 0.62 -0.04 0.58 0.02 0.00 0.00 177.57 178.71 3lf0 h VAL 74 N 0.53 0.89 -0.68 2.57 2.07 -0.69 -1.77 116.25 119.17 3lf0 h VAL 74 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3lf0 h VAL 74 Cb 1.34 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3lf0 h VAL 74 CO 0.15 0.00 0.35 0.44 0.02 0.00 0.00 177.57 178.53 3lf0 h ASP 75 N -0.04 0.49 0.84 0.57 3.32 -1.28 -1.17 116.42 119.15 3lf0 h ASP 75 Ca 0.03 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3lf0 h ASP 75 Cb 0.09 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3lf0 h ASP 75 CO -0.07 0.30 -0.40 0.77 -1.72 0.00 0.00 179.24 178.12 3lf0 h SER 76 N 0.63 0.00 -0.20 6.45 4.64 -1.21 -0.20 113.55 123.67 3lf0 h SER 76 Ca 0.32 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.54 3lf0 h SER 76 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3lf0 h SER 76 CO -0.23 0.40 -0.27 0.40 -0.87 0.00 0.00 176.83 176.26 3lf0 h ILE 77 N 0.00 1.33 -0.15 0.95 2.04 -0.79 -2.94 117.51 117.95 3lf0 h ILE 77 Ca -0.00 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 3lf0 h ILE 77 Cb 0.92 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3lf0 h ILE 77 CO 0.05 0.45 -0.15 0.58 0.00 0.00 0.00 178.15 179.08 3lf0 h VAL 78 N 0.20 1.19 0.02 1.67 2.07 -0.82 -1.84 116.25 118.75 3lf0 h VAL 78 Ca 0.02 -0.85 -0.26 0.00 0.82 0.00 0.00 66.70 66.43 3lf0 h VAL 78 Cb 0.84 1.25 0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3lf0 h VAL 78 CO 0.06 0.26 -1.05 0.03 0.02 0.00 0.00 177.57 176.89 3lf0 h ARG 79 N 0.23 0.60 0.00 1.57 3.08 -1.11 -2.98 114.38 115.76 3lf0 h ARG 79 Ca 0.05 -0.67 -0.06 0.00 0.07 0.00 0.00 59.98 59.37 3lf0 h ARG 79 Cb 0.41 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3lf0 h ARG 79 CO 0.03 1.27 -0.27 0.00 -1.07 0.00 0.00 179.97 179.92 3lf0 h ALA 80 N 0.49 0.89 0.00 0.04 0.00 -1.31 -3.30 119.26 116.07 3lf0 h ALA 80 Ca -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3lf0 h ALA 80 Cb 1.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3lf0 h ALA 80 CO 0.20 0.34 -1.10 0.00 0.00 0.00 0.00 179.25 178.68 3lf0 n ALA 81 N -2.19 3.75 -2.14 0.00 0.00 -0.71 -4.61 120.51 114.59 3lf0 n ALA 81 Ca 0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.57 3lf0 n ALA 81 Cb 0.55 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.16 4.65 0.00 0.00 3.52 -1.13 -4.83 118.95 118.00 3lf0 s ARG 82 Ca 0.04 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.24 3lf0 s ARG 82 Cb 0.15 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3lf0 s ARG 82 CO 0.83 0.15 0.00 0.25 -0.81 0.00 0.00 175.30 175.71 3lf0 n THR 83 N 2.55 0.00 -0.70 4.11 -2.24 -1.26 -5.01 114.28 111.73 3lf0 n THR 83 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3lf0 n THR 83 Cb 0.47 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.75 0.85 3.91 3.38 0.00 -1.26 -5.05 105.19 108.77 3lf0 n GLY 84 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.30 3.54 0.59 1.61 -0.14 -1.26 -5.08 119.74 118.70 3lf0 s LYS 85 Ca 0.00 -0.25 -0.19 0.00 -1.36 0.00 0.00 55.97 54.17 3lf0 s LYS 85 Cb 0.00 -2.92 -0.05 0.00 -1.68 0.00 0.00 37.83 33.17 3lf0 s LYS 85 CO 0.00 0.52 0.92 0.44 -0.76 0.00 0.00 175.35 176.47 3lf0 n ILE 86 N 0.10 3.51 -0.72 2.17 -5.35 -1.26 -3.64 119.36 114.17 3lf0 n ILE 86 Ca -0.04 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 3lf0 n ILE 86 Cb 0.52 -1.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.31 3lf0 n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lf0 n GLY 87 N 1.33 0.59 0.32 3.28 0.00 -1.26 -4.95 105.19 104.50 3lf0 n GLY 87 Ca 0.13 -0.42 0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -1.60 1.61 3.32 -1.92 -3.42 116.42 114.41 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 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3lf0 h ASP 88 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3lf0 n GLY 89 N -1.19 -1.81 3.06 2.75 0.00 -1.26 -4.27 105.19 102.48 3lf0 n GLY 89 Ca -0.03 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 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 0.44 -0.07 1.61 1.02 -0.84 -4.98 119.74 116.92 3lf0 s LYS 90 Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.47 3lf0 s LYS 90 Cb 0.00 0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.49 3lf0 s LYS 90 CO 0.00 -0.09 -0.17 0.08 -0.92 0.00 0.00 175.35 174.25 3lf0 s VAL 91 N -1.66 1.49 0.22 3.17 1.01 -1.26 -0.27 120.40 123.10 3lf0 s VAL 91 Ca -0.13 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.20 3lf0 s VAL 91 Cb -0.07 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3lf0 s VAL 91 CO -0.01 0.43 -0.06 -1.66 0.00 0.00 0.00 175.10 173.81 3lf0 s TRP 92 N 0.44 1.59 -0.03 5.22 -2.14 0.24 -4.97 118.94 119.29 3lf0 s TRP 92 Ca -0.14 -0.79 0.06 0.00 2.66 0.00 0.00 56.10 57.89 3lf0 s TRP 92 Cb -0.16 -0.87 -0.01 0.00 -3.10 0.00 0.00 33.47 29.33 3lf0 s TRP 92 CO 0.05 0.11 -0.22 0.08 -2.66 0.00 0.00 176.95 174.31 3lf0 s VAL 93 N -3.26 1.76 0.03 -0.66 1.01 -1.26 -0.61 120.40 117.42 3lf0 s VAL 93 Ca 0.25 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3lf0 s VAL 93 Cb 0.04 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3lf0 s VAL 93 CO 0.07 0.50 0.03 -0.94 0.00 0.00 0.00 175.10 174.76 3lf0 s SER 94 N -0.35 0.23 0.39 3.32 1.04 -0.15 -4.96 113.70 113.22 3lf0 s SER 94 Ca 0.04 -0.54 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 3lf0 s SER 94 Cb -0.10 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.10 3lf0 s SER 94 CO 0.01 -0.42 1.07 -2.16 0.98 0.00 0.00 173.24 172.72 3lf0 s PRO 95 N -2.15 4.19 -0.23 4.02 0.05 -1.26 0.00 135.00 139.62 3lf0 s PRO 95 Ca -0.09 1.58 0.02 0.00 0.05 0.00 0.00 61.00 62.55 3lf0 s PRO 95 Cb -0.04 -2.61 0.05 0.00 0.05 0.00 0.00 34.50 31.94 3lf0 s PRO 95 CO -0.03 -0.13 -0.14 0.08 0.05 0.00 0.00 177.00 176.83 3lf0 s VAL 96 N -1.58 2.06 0.16 -0.36 1.01 -0.78 -4.66 120.40 116.25 3lf0 s VAL 96 Ca 0.57 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 3lf0 s VAL 96 Cb -0.24 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3lf0 s VAL 96 CO 0.30 0.18 1.52 0.44 0.00 0.00 0.00 175.10 177.54 3lf0 h ASP 97 N 7.85 0.97 -4.25 3.32 3.32 -1.96 -3.38 116.42 122.30 3lf0 h ASP 97 Ca -0.29 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.28 3lf0 h ASP 97 Cb 1.08 -0.27 -0.21 0.00 0.22 0.00 0.00 39.33 40.14 3lf0 h ASP 97 CO 0.52 1.19 -0.02 -0.89 -1.72 0.00 0.00 179.24 178.32 3lf0 s THR 98 N -4.50 0.01 0.03 0.35 2.01 -1.26 -4.84 115.64 107.42 3lf0 s THR 98 Ca -0.11 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.87 3lf0 s THR 98 Cb 0.12 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 3lf0 s THR 98 CO 0.87 -0.03 -0.08 -0.51 -0.69 0.00 0.00 174.62 174.19 3lf0 s ILE 99 N -0.13 0.56 -0.03 1.82 2.07 -1.26 -5.05 121.20 119.18 3lf0 s ILE 99 Ca -0.03 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.46 3lf0 s ILE 99 Cb -0.03 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.99 3lf0 s ILE 99 CO 0.03 -0.17 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.08 3lf0 s VAL 100 N -0.89 1.06 -0.06 4.00 1.01 -1.26 -2.57 120.40 121.68 3lf0 s VAL 100 Ca -0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3lf0 s VAL 100 Cb -0.07 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3lf0 s VAL 100 CO 0.00 0.32 1.04 -0.60 0.00 0.00 0.00 175.10 175.86 3lf0 s ARG 101 N 0.14 4.45 0.14 2.72 3.52 0.79 -4.96 118.95 125.75 3lf0 s ARG 101 Ca -0.04 1.46 -0.13 0.00 -0.13 0.00 0.00 55.73 56.89 3lf0 s ARG 101 Cb -0.10 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 3lf0 s ARG 101 CO 0.01 -0.27 1.58 0.28 -0.81 0.00 0.00 175.30 176.09 3lf0 h VAL 102 N 4.99 1.27 -0.42 7.11 2.07 -1.93 0.20 116.25 129.52 3lf0 h VAL 102 Ca -0.34 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 3lf0 h VAL 102 Cb 1.17 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3lf0 h VAL 102 CO 0.83 0.38 0.19 -0.09 0.02 0.00 0.00 177.57 178.90 3lf0 h ARG 103 N 0.69 0.62 0.00 1.57 2.43 -1.99 -3.36 114.38 114.34 3lf0 h ARG 103 Ca 0.13 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3lf0 h ARG 103 Cb 0.55 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3lf0 h ARG 103 CO 0.03 0.56 -1.69 0.25 -1.51 0.00 0.00 179.97 177.61 3lf0 n THR 104 N -4.65 0.29 -0.66 0.20 -2.24 -1.20 -5.00 114.28 101.02 3lf0 n THR 104 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3lf0 n THR 104 Cb 0.13 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.92 0.76 3.76 3.38 0.00 0.69 -5.04 105.19 110.67 3lf0 n GLY 105 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3lf0 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lf0 s GLU 106 N -0.34 3.67 0.31 1.61 2.02 -1.25 -4.69 118.70 120.04 3lf0 s GLU 106 Ca 0.00 2.24 0.08 0.00 0.02 0.00 0.00 54.97 57.31 3lf0 s GLU 106 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 34.13 31.58 3lf0 s GLU 106 CO 0.00 -0.77 -0.08 1.03 0.02 0.00 0.00 175.26 175.46 3lf0 s ARG 107 N -2.49 1.67 6.90 1.61 0.52 -1.26 -0.15 118.95 125.74 3lf0 s ARG 107 Ca 0.62 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 3lf0 s ARG 107 Cb -0.40 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 33.65 3lf0 s ARG 107 CO 0.50 0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.33 3lf0 n GLY 108 N -0.67 3.53 0.37 -3.53 0.00 -1.06 -2.59 105.19 101.24 3lf0 n GLY 108 Ca -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.16 0.00 1.61 -0.00 -1.96 -1.80 115.15 114.16 3lf0 h HIS 109 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3lf0 h HIS 109 Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.02 3lf0 h HIS 109 CO 0.00 0.71 0.00 -0.44 -0.00 0.00 0.00 177.93 178.20 3lf0 h ASP 110 N 1.24 0.00 1.41 3.26 3.32 -1.86 -2.53 116.42 121.25 3lf0 h ASP 110 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3lf0 h ASP 110 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3lf0 h ASP 110 CO -0.09 0.00 -0.36 0.00 -1.72 0.00 0.00 179.24 177.08 3lf0 h ALA 111 N 2.07 0.80 -0.00 3.45 0.00 -1.31 -3.43 119.26 120.83 3lf0 h ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lf0 h ALA 111 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3lf0 h ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53