#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ff0 s GLN 2 N 0.00 3.19 -0.22 0.54 0.74 -1.26 -5.11 119.66 117.54 1ff0 s GLN 2 Ca 0.00 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 1ff0 s GLN 2 Cb 0.00 -2.44 0.01 0.00 1.10 0.00 0.00 33.01 31.68 1ff0 s GLN 2 CO 0.00 0.19 -0.10 0.42 -0.55 0.00 0.00 175.29 175.26 1ff0 s ILE 3 N 0.35 2.78 0.82 -2.34 1.01 -1.26 -5.12 121.20 117.44 1ff0 s ILE 3 Ca -0.16 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 1ff0 s ILE 3 Cb -0.17 -2.31 0.08 0.00 0.01 0.00 0.00 42.46 40.07 1ff0 s ILE 3 CO 0.08 0.36 1.15 0.42 0.00 0.00 0.00 174.94 176.94 1ff0 s THR 4 N 1.36 2.30 -0.23 2.92 -4.23 -1.26 -5.01 115.64 111.48 1ff0 s THR 4 Ca 0.03 0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.77 1ff0 s THR 4 Cb -0.15 -3.02 0.50 0.00 1.34 0.00 0.00 72.50 71.16 1ff0 s THR 4 CO -0.07 -0.13 1.42 0.18 -0.54 0.00 0.00 174.62 175.49 1ff0 n LEU 5 N -3.38 3.88 0.08 4.79 4.77 -1.26 -4.59 117.00 121.29 1ff0 n LEU 5 Ca 0.07 -3.42 0.01 0.00 -0.03 0.00 0.00 56.01 52.65 1ff0 n LEU 5 Cb 0.60 -0.58 0.36 0.00 -2.33 0.00 0.00 43.42 41.46 1ff0 n LEU 5 CO 0.57 0.98 0.89 -0.50 -1.33 0.00 0.00 177.39 178.01 1ff0 h TRP 6 N 1.22 0.34 -3.57 -1.77 4.06 -2.06 -3.43 115.95 110.74 1ff0 h TRP 6 Ca 0.12 -0.04 -0.36 0.00 2.06 0.00 0.00 58.89 60.66 1ff0 h TRP 6 Cb 1.52 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.44 1ff0 h TRP 6 CO 0.73 0.43 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.83 1ff0 s LYS 7 N -4.78 1.40 0.04 0.49 -2.85 -1.26 -5.11 119.74 107.68 1ff0 s LYS 7 Ca -0.06 -1.75 -0.34 0.00 -1.00 0.00 0.00 55.97 52.82 1ff0 s LYS 7 Cb 0.15 -0.40 -0.13 0.00 -2.06 0.00 0.00 37.83 35.39 1ff0 s LYS 7 CO 0.74 -0.23 1.70 0.54 0.10 0.00 0.00 175.35 178.20 1ff0 n ARG 8 N -0.46 2.09 -2.18 1.78 1.74 -1.26 -4.85 116.66 113.52 1ff0 n ARG 8 Ca -0.02 0.76 -0.31 0.00 -0.77 0.00 0.00 57.85 57.51 1ff0 n ARG 8 Cb 0.66 -2.55 -0.05 0.00 -1.02 0.00 0.00 32.46 29.49 1ff0 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ff0 s PRO 9 N 2.29 2.81 -0.14 5.56 0.04 -1.26 -4.93 135.00 139.37 1ff0 s PRO 9 Ca 0.85 -1.06 -0.07 0.00 0.04 0.00 0.00 61.00 60.76 1ff0 s PRO 9 Cb -0.71 -5.25 -0.04 0.00 0.04 0.00 0.00 34.50 28.54 1ff0 s PRO 9 CO 0.45 -3.44 0.12 -0.51 0.04 0.00 0.00 177.00 173.66 1ff0 s LEU 10 N 9.33 4.25 0.12 -3.56 1.43 -1.26 -0.98 118.68 128.02 1ff0 s LEU 10 Ca 0.65 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 1ff0 s LEU 10 Cb -0.02 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1ff0 s LEU 10 CO 0.07 0.35 -0.02 0.68 0.23 0.00 0.00 176.35 177.66 1ff0 s VAL 11 N -0.68 0.56 0.09 -1.59 -7.23 -0.10 -4.93 120.40 106.53 1ff0 s VAL 11 Ca 0.13 -1.94 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 1ff0 s VAL 11 Cb -0.12 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 1ff0 s VAL 11 CO 0.02 -0.70 0.75 -0.89 -0.31 0.00 0.00 175.10 173.98 1ff0 s THR 12 N -3.72 4.61 0.20 5.32 2.01 -1.26 -0.40 115.64 122.40 1ff0 s THR 12 Ca 0.17 1.62 0.07 0.00 0.31 0.00 0.00 61.69 63.85 1ff0 s THR 12 Cb 0.06 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1ff0 s THR 12 CO -0.01 0.43 -0.12 0.27 -0.69 0.00 0.00 174.62 174.50 1ff0 s ILE 13 N -0.51 1.59 -0.12 1.82 -4.36 0.11 -1.27 121.20 118.46 1ff0 s ILE 13 Ca 0.37 -2.17 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1ff0 s ILE 13 Cb -0.21 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1ff0 s ILE 13 CO 0.24 -0.59 -0.10 -0.75 0.24 0.00 0.00 174.94 173.98 1ff0 s LYS 14 N -3.68 1.80 -0.10 0.37 2.20 -0.08 -1.19 119.74 119.06 1ff0 s LYS 14 Ca 0.22 -0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.39 1ff0 s LYS 14 Cb 0.01 -1.75 0.04 0.00 -1.51 0.00 0.00 37.83 34.61 1ff0 s LYS 14 CO 0.06 -0.23 0.26 -1.50 -0.36 0.00 0.00 175.35 173.58 1ff0 s ILE 15 N 1.55 -0.02 -1.77 5.43 2.07 -0.45 -1.36 121.20 126.66 1ff0 s ILE 15 Ca 0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1ff0 s ILE 15 Cb -0.13 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1ff0 s ILE 15 CO -0.08 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 1ff0 n GLY 16 N 3.52 0.02 2.06 1.50 0.00 -1.26 -1.37 105.19 109.66 1ff0 n GLY 16 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ff0 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ff0 n GLY 17 N -0.85 0.47 3.28 -0.02 0.00 -1.26 -5.04 105.19 101.77 1ff0 n GLY 17 Ca -0.23 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1ff0 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ff0 s GLN 18 N -0.73 1.30 -0.14 1.61 -0.21 -0.47 -5.13 119.66 115.89 1ff0 s GLN 18 Ca 0.00 -1.06 -0.12 0.00 0.02 0.00 0.00 55.36 54.20 1ff0 s GLN 18 Cb 0.00 -1.51 -0.05 0.00 1.00 0.00 0.00 33.01 32.46 1ff0 s GLN 18 CO 0.00 0.37 0.23 -0.51 -2.12 0.00 0.00 175.29 173.26 1ff0 s LEU 19 N -1.53 4.29 0.15 2.90 1.43 -1.26 -1.34 118.68 123.33 1ff0 s LEU 19 Ca 0.08 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1ff0 s LEU 19 Cb -0.09 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1ff0 s LEU 19 CO 0.03 0.21 0.15 -0.54 0.23 0.00 0.00 176.35 176.43 1ff0 s LYS 20 N -0.03 1.05 -0.17 1.70 1.02 -0.33 -4.97 119.74 118.00 1ff0 s LYS 20 Ca 0.15 -1.37 -0.07 0.00 0.02 0.00 0.00 55.97 54.70 1ff0 s LYS 20 Cb -0.13 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1ff0 s LYS 20 CO 0.03 -0.34 0.07 -1.21 -0.92 0.00 0.00 175.35 172.98 1ff0 s GLU 21 N -4.03 3.84 0.08 1.68 0.41 -1.26 0.05 118.70 119.47 1ff0 s GLU 21 Ca 0.23 -0.32 0.04 0.00 -0.41 0.00 0.00 54.97 54.50 1ff0 s GLU 21 Cb 0.06 -3.18 -0.03 0.00 -1.78 0.00 0.00 34.13 29.20 1ff0 s GLU 21 CO 0.03 0.37 -0.10 0.00 -0.49 0.00 0.00 175.26 175.06 1ff0 s ALA 22 N 0.10 1.02 -0.18 5.21 0.00 0.46 -4.49 121.76 123.88 1ff0 s ALA 22 Ca 0.05 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 1ff0 s ALA 22 Cb -0.12 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1ff0 s ALA 22 CO 0.01 -0.02 0.52 -1.17 0.00 0.00 0.00 175.76 175.09 1ff0 s LEU 23 N -2.24 4.17 -0.45 0.00 2.96 0.12 -0.92 118.68 122.31 1ff0 s LEU 23 Ca 0.02 0.71 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 1ff0 s LEU 23 Cb -0.05 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.95 1ff0 s LEU 23 CO 0.00 -0.15 1.19 -0.76 -1.32 0.00 0.00 176.35 175.31 1ff0 s LEU 24 N 1.46 3.64 -0.35 -0.68 1.43 -0.15 -0.52 118.68 123.53 1ff0 s LEU 24 Ca 0.25 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1ff0 s LEU 24 Cb -0.15 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.61 1ff0 s LEU 24 CO 0.10 -1.27 0.07 -0.62 0.23 0.00 0.00 176.35 174.86 1ff0 s ASP 25 N 2.71 4.87 0.32 2.29 -1.08 -0.42 -4.79 116.67 120.58 1ff0 s ASP 25 Ca 0.51 -1.97 0.26 0.00 -0.52 0.00 0.00 52.55 50.83 1ff0 s ASP 25 Cb -0.09 -1.68 1.03 0.00 -1.46 0.00 0.00 42.92 40.72 1ff0 s ASP 25 CO 0.31 -0.39 1.78 0.71 0.52 0.00 0.00 175.17 178.09 1ff0 h THR 26 N 6.55 0.00 -0.45 1.71 1.35 -1.94 -2.60 112.91 117.53 1ff0 h THR 26 Ca -0.09 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1ff0 h THR 26 Cb 1.03 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1ff0 h THR 26 CO 0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1ff0 n GLY 27 N 0.18 1.14 3.33 5.82 0.00 -1.26 -4.84 105.19 109.55 1ff0 n GLY 27 Ca 0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1ff0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ff0 s ALA 28 N -1.40 2.68 0.13 4.61 0.00 -0.98 -5.01 121.76 121.80 1ff0 s ALA 28 Ca 0.31 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 1ff0 s ALA 28 Cb 0.16 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1ff0 s ALA 28 CO 0.21 -0.08 1.52 -0.44 0.00 0.00 0.00 175.76 176.97 1ff0 h ASP 29 N 7.39 0.84 -0.67 0.00 5.19 -1.88 0.48 116.42 127.77 1ff0 h ASP 29 Ca -0.34 -0.38 -0.67 0.00 -0.62 0.00 0.00 57.03 55.02 1ff0 h ASP 29 Cb 1.18 -0.23 -0.13 0.00 0.18 0.00 0.00 39.33 40.33 1ff0 h ASP 29 CO 0.59 1.03 -0.53 -1.81 -3.12 0.00 0.00 179.24 175.39 1ff0 s ASP 30 N -6.48 4.06 -0.21 6.45 1.01 -1.26 -2.66 116.67 117.58 1ff0 s ASP 30 Ca -0.12 -1.60 -0.08 0.00 0.71 0.00 0.00 52.55 51.46 1ff0 s ASP 30 Cb 0.11 0.33 -0.04 0.00 1.01 0.00 0.00 42.92 44.32 1ff0 s ASP 30 CO 0.83 -0.77 0.10 -0.89 0.21 0.00 0.00 175.17 174.65 1ff0 s THR 31 N -2.85 4.94 -0.18 -1.27 2.01 -1.26 -3.03 115.64 114.01 1ff0 s THR 31 Ca 0.12 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1ff0 s THR 31 Cb 0.03 -3.26 0.03 0.00 0.01 0.00 0.00 72.50 69.31 1ff0 s THR 31 CO 0.06 0.41 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.57 1ff0 s VAL 32 N 0.72 1.76 0.03 3.82 1.01 0.02 -0.80 120.40 126.96 1ff0 s VAL 32 Ca 0.05 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1ff0 s VAL 32 Cb -0.13 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1ff0 s VAL 32 CO 0.02 0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 174.81 1ff0 s ILE 33 N 1.39 3.71 0.68 2.22 -1.09 0.93 0.21 121.20 129.24 1ff0 s ILE 33 Ca 0.03 -0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 57.42 1ff0 s ILE 33 Cb -0.14 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1ff0 s ILE 33 CO -0.10 0.31 0.79 -1.84 -1.23 0.00 0.00 174.94 172.87 1ff0 n GLU 34 N 1.28 0.54 -1.66 2.79 0.28 -1.26 -2.26 120.64 120.35 1ff0 n GLU 34 Ca -0.14 0.23 -0.55 0.00 -0.16 0.00 0.00 57.16 56.54 1ff0 n GLU 34 Cb 0.52 -2.04 -0.07 0.00 1.43 0.00 0.00 31.44 31.29 1ff0 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ff0 n GLU 35 N -1.14 1.17 -3.66 3.44 4.07 -0.92 -4.57 120.64 119.03 1ff0 n GLU 35 Ca 0.12 0.43 -0.15 0.00 -0.06 0.00 0.00 57.16 57.50 1ff0 n GLU 35 Cb 0.49 -2.09 -0.08 0.00 -0.06 0.00 0.00 31.44 29.69 1ff0 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ff0 s MET 36 N 2.17 0.76 -1.38 5.31 0.23 -1.26 -5.01 119.30 120.11 1ff0 s MET 36 Ca 0.92 0.33 -0.14 0.00 -1.03 0.00 0.00 55.69 55.77 1ff0 s MET 36 Cb -1.01 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 32.64 1ff0 s MET 36 CO 0.57 -0.18 2.31 0.43 -2.03 0.00 0.00 175.02 176.12 1ff0 n SER 37 N 1.81 4.56 -4.71 -1.18 7.64 -1.26 -4.95 113.62 115.53 1ff0 n SER 37 Ca -0.17 -2.76 -0.42 0.00 1.01 0.00 0.00 58.87 56.53 1ff0 n SER 37 Cb 0.56 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.18 1ff0 n SER 37 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ff0 s LEU 38 N 1.66 4.36 0.68 -3.43 2.96 -1.26 -5.01 118.68 118.63 1ff0 s LEU 38 Ca 0.52 2.02 -0.12 0.00 -0.22 0.00 0.00 54.13 56.33 1ff0 s LEU 38 Cb 0.15 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.26 1ff0 s LEU 38 CO -0.06 -0.50 1.06 -2.16 -1.32 0.00 0.00 176.35 173.37 1ff0 s PRO 39 N 1.23 3.03 0.00 0.98 0.04 -1.26 -4.97 135.00 134.05 1ff0 s PRO 39 Ca 0.59 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1ff0 s PRO 39 Cb -0.29 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ff0 s PRO 39 CO 0.28 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1ff0 n GLY 40 N -1.88 -2.58 3.79 0.56 0.00 -1.26 -5.02 105.19 98.79 1ff0 n GLY 40 Ca 0.08 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 1ff0 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ff0 s ARG 41 N -0.94 3.96 0.19 1.61 6.06 -1.26 -5.07 118.95 123.50 1ff0 s ARG 41 Ca 0.00 1.42 -0.13 0.00 -2.50 0.00 0.00 55.73 54.52 1ff0 s ARG 41 Cb 0.00 -2.28 0.01 0.00 0.06 0.00 0.00 34.95 32.74 1ff0 s ARG 41 CO 0.00 -0.30 0.40 1.67 -2.50 0.00 0.00 175.30 174.56 1ff0 s TRP 42 N -1.86 0.21 -0.06 5.12 1.48 -1.26 -4.64 118.94 117.92 1ff0 s TRP 42 Ca 0.63 -0.56 0.03 0.00 -1.06 0.00 0.00 56.10 55.14 1ff0 s TRP 42 Cb -0.18 0.14 0.01 0.00 -1.16 0.00 0.00 33.47 32.27 1ff0 s TRP 42 CO 0.23 -0.83 -0.15 0.21 -4.06 0.00 0.00 176.95 172.34 1ff0 s LYS 43 N -3.94 1.93 -0.09 3.25 2.20 -0.51 -4.91 119.74 117.66 1ff0 s LYS 43 Ca 0.15 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1ff0 s LYS 43 Cb 0.01 -1.58 -0.03 0.00 -1.51 0.00 0.00 37.83 34.72 1ff0 s LYS 43 CO 0.00 0.11 1.23 -1.25 -0.36 0.00 0.00 175.35 175.09 1ff0 s PRO 44 N 0.43 4.30 0.30 4.03 0.04 -1.26 -0.35 135.00 142.49 1ff0 s PRO 44 Ca -0.12 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.64 1ff0 s PRO 44 Cb -0.15 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1ff0 s PRO 44 CO 0.04 -0.55 0.19 0.96 0.04 0.00 0.00 177.00 177.69 1ff0 s ILE 45 N 2.70 0.17 -0.03 0.56 -4.36 -0.84 -4.95 121.20 114.44 1ff0 s ILE 45 Ca 0.56 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1ff0 s ILE 45 Cb -0.24 -2.49 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 1ff0 s ILE 45 CO 0.19 0.00 -0.16 -0.04 0.24 0.00 0.00 174.94 175.17 1ff0 s MET 46 N -3.74 1.54 0.07 0.37 -1.94 -1.26 -1.79 119.30 112.55 1ff0 s MET 46 Ca 0.37 -0.57 0.04 0.00 -1.71 0.00 0.00 55.69 53.82 1ff0 s MET 46 Cb 0.04 -1.39 -0.03 0.00 2.01 0.00 0.00 34.83 35.46 1ff0 s MET 46 CO 0.20 0.27 -0.10 -1.50 -0.01 0.00 0.00 175.02 173.87 1ff0 s ILE 47 N -0.09 0.84 0.00 2.53 1.10 -0.62 -4.94 121.20 120.02 1ff0 s ILE 47 Ca -0.00 -1.33 -0.00 0.00 -0.51 0.00 0.00 60.65 58.81 1ff0 s ILE 47 Cb -0.09 -0.99 0.00 0.00 0.15 0.00 0.00 42.46 41.52 1ff0 s ILE 47 CO 0.01 -0.39 0.00 0.61 -2.11 0.00 0.00 174.94 173.06 1ff0 n GLY 48 N 1.11 2.62 0.00 1.50 0.00 -1.26 0.01 105.19 109.18 1ff0 n GLY 48 Ca -0.20 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1ff0 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ff0 n GLY 49 N -0.00 -0.86 3.71 -0.02 0.00 -0.40 -4.98 105.19 102.63 1ff0 n GLY 49 Ca -0.00 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ff0 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ff0 s ILE 50 N -2.96 2.86 0.00 -0.61 1.01 -1.26 -1.89 121.20 118.35 1ff0 s ILE 50 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1ff0 s ILE 50 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1ff0 s ILE 50 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1ff0 n GLY 51 N 3.79 1.85 0.00 6.18 0.00 -1.26 -4.95 105.19 110.81 1ff0 n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ff0 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ff0 n GLY 52 N -2.00 0.43 3.66 -0.02 0.00 -0.79 -5.08 105.19 101.38 1ff0 n GLY 52 Ca 0.00 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 1ff0 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ff0 s PHE 53 N -0.32 2.75 0.07 1.61 0.40 -1.26 -1.28 117.98 119.95 1ff0 s PHE 53 Ca 0.00 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1ff0 s PHE 53 Cb 0.00 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1ff0 s PHE 53 CO 0.00 0.59 -0.08 0.96 0.70 0.00 0.00 175.22 177.40 1ff0 s ILE 54 N -2.19 0.64 -0.03 0.64 -4.36 0.10 -4.96 121.20 111.04 1ff0 s ILE 54 Ca 0.31 -1.47 -0.23 0.00 -0.26 0.00 0.00 60.65 58.99 1ff0 s ILE 54 Cb -0.07 -1.11 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 1ff0 s ILE 54 CO 0.20 -0.59 0.70 -0.54 0.24 0.00 0.00 174.94 174.95 1ff0 s LYS 55 N -2.59 4.43 0.19 0.37 1.02 -1.26 -1.58 119.74 120.31 1ff0 s LYS 55 Ca 0.00 0.90 -0.00 0.00 0.02 0.00 0.00 55.97 56.89 1ff0 s LYS 55 Cb -0.03 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1ff0 s LYS 55 CO -0.02 0.16 0.08 0.14 -0.92 0.00 0.00 175.35 174.79 1ff0 s VAL 56 N 0.44 0.26 -0.21 3.17 -7.23 -0.74 -4.33 120.40 111.77 1ff0 s VAL 56 Ca 0.37 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1ff0 s VAL 56 Cb -0.18 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1ff0 s VAL 56 CO 0.19 -0.23 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.59 1ff0 s ARG 57 N -4.06 3.45 -0.33 4.82 0.52 0.91 -1.99 118.95 122.28 1ff0 s ARG 57 Ca 0.32 -0.60 -0.20 0.00 -0.52 0.00 0.00 55.73 54.73 1ff0 s ARG 57 Cb 0.07 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 1ff0 s ARG 57 CO 0.08 -0.10 0.59 -1.14 0.02 0.00 0.00 175.30 174.75 1ff0 s GLN 58 N 1.25 3.78 -0.13 3.54 0.74 0.52 -0.68 119.66 128.69 1ff0 s GLN 58 Ca 0.03 0.12 -0.03 0.00 0.05 0.00 0.00 55.36 55.53 1ff0 s GLN 58 Cb -0.14 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 1ff0 s GLN 58 CO -0.01 -0.62 -0.04 0.71 -0.55 0.00 0.00 175.29 174.78 1ff0 s TYR 59 N 2.57 3.02 0.13 1.67 1.51 -0.30 -1.43 117.35 124.51 1ff0 s TYR 59 Ca 0.23 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.10 1ff0 s TYR 59 Cb -0.15 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1ff0 s TYR 59 CO 0.13 0.07 0.26 -0.51 -1.11 0.00 0.00 175.55 174.38 1ff0 s ASP 60 N 0.06 6.30 -1.44 2.29 1.01 -1.26 -1.18 116.67 122.44 1ff0 s ASP 60 Ca -0.00 0.18 -0.09 0.00 0.71 0.00 0.00 52.55 53.34 1ff0 s ASP 60 Cb -0.13 -1.89 0.05 0.00 1.01 0.00 0.00 42.92 41.95 1ff0 s ASP 60 CO 0.03 0.08 0.96 0.00 0.21 0.00 0.00 175.17 176.45 1ff0 n GLN 61 N -0.34 -5.91 -3.08 8.23 1.13 -1.11 -4.93 117.38 111.38 1ff0 n GLN 61 Ca -0.07 0.66 -0.40 0.00 -1.94 0.00 0.00 57.00 55.25 1ff0 n GLN 61 Cb 0.53 -5.51 -0.05 0.00 0.11 0.00 0.00 30.24 25.32 1ff0 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ff0 s ILE 62 N -3.39 5.05 0.01 5.09 -1.09 0.78 -4.73 121.20 122.92 1ff0 s ILE 62 Ca 0.48 1.36 -0.30 0.00 -2.23 0.00 0.00 60.65 59.95 1ff0 s ILE 62 Cb -0.23 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1ff0 s ILE 62 CO 0.80 0.22 1.05 -0.63 -1.23 0.00 0.00 174.94 175.15 1ff0 s ILE 63 N 1.07 4.62 -0.10 2.92 1.01 -1.26 -1.71 121.20 127.74 1ff0 s ILE 63 Ca 0.35 1.88 -0.06 0.00 0.00 0.00 0.00 60.65 62.82 1ff0 s ILE 63 Cb -0.17 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.13 1ff0 s ILE 63 CO 0.15 0.14 0.25 -0.51 0.00 0.00 0.00 174.94 174.97 1ff0 s ILE 64 N 1.09 -0.03 -0.21 2.92 2.07 -0.53 -4.44 121.20 122.08 1ff0 s ILE 64 Ca 0.54 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.81 1ff0 s ILE 64 Cb -0.23 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 41.95 1ff0 s ILE 64 CO 0.28 0.04 0.04 -0.70 -1.91 0.00 0.00 174.94 172.69 1ff0 s GLU 65 N 0.91 3.74 -0.24 3.50 2.12 -0.46 -0.47 118.70 127.80 1ff0 s GLU 65 Ca -0.06 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.81 1ff0 s GLU 65 Cb -0.08 -3.21 0.03 0.00 0.26 0.00 0.00 34.13 31.13 1ff0 s GLU 65 CO -0.06 0.03 -0.09 0.42 -0.54 0.00 0.00 175.26 175.02 1ff0 s ILE 66 N 1.01 2.72 -1.41 -3.70 1.01 0.13 -0.90 121.20 120.05 1ff0 s ILE 66 Ca 0.03 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 1ff0 s ILE 66 Cb -0.14 -2.35 0.09 0.00 0.01 0.00 0.00 42.46 40.06 1ff0 s ILE 66 CO 0.03 0.25 0.63 0.00 0.00 0.00 0.00 174.94 175.85 1ff0 n ALA 67 N 4.65 -1.13 -0.20 9.38 0.00 -0.40 -0.03 120.51 132.79 1ff0 n ALA 67 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ff0 n ALA 67 Cb 0.47 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1ff0 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ff0 n GLY 68 N -1.31 1.05 3.57 0.00 0.00 -1.26 -5.04 105.19 102.19 1ff0 n GLY 68 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ff0 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ff0 s HIS 69 N -2.64 3.20 0.37 1.61 4.02 0.96 -5.08 115.29 117.72 1ff0 s HIS 69 Ca 0.00 0.00 -0.26 0.00 1.02 0.00 0.00 55.06 55.83 1ff0 s HIS 69 Cb 0.00 -2.32 -0.09 0.00 -1.02 0.00 0.00 32.58 29.15 1ff0 s HIS 69 CO 0.00 -0.16 1.09 0.15 1.02 0.00 0.00 174.74 176.84 1ff0 s LYS 70 N 1.58 4.27 0.20 1.40 1.02 -1.26 0.17 119.74 127.12 1ff0 s LYS 70 Ca 0.07 1.67 -0.14 0.00 0.02 0.00 0.00 55.97 57.59 1ff0 s LYS 70 Cb -0.15 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1ff0 s LYS 70 CO 0.08 -0.08 0.44 0.00 -0.92 0.00 0.00 175.35 174.87 1ff0 s ALA 71 N -1.46 -0.50 -0.17 5.17 0.00 0.38 -4.79 121.76 120.39 1ff0 s ALA 71 Ca 0.54 -0.58 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1ff0 s ALA 71 Cb -0.27 0.90 0.07 0.00 0.00 0.00 0.00 23.12 23.82 1ff0 s ALA 71 CO 0.34 -0.77 0.38 -1.50 0.00 0.00 0.00 175.76 174.21 1ff0 s ILE 72 N -3.93 -0.40 0.00 0.00 2.07 -1.26 -1.45 121.20 116.22 1ff0 s ILE 72 Ca 0.14 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1ff0 s ILE 72 Cb 0.00 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 42.00 1ff0 s ILE 72 CO 0.01 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 1ff0 n GLY 73 N 5.01 1.44 3.72 1.50 0.00 -0.70 -4.87 105.19 111.29 1ff0 n GLY 73 Ca -0.13 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1ff0 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ff0 s THR 74 N -2.26 4.76 -0.06 2.61 2.01 -1.26 -0.16 115.64 121.28 1ff0 s THR 74 Ca 0.00 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.93 1ff0 s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1ff0 s THR 74 CO 0.00 0.25 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.37 1ff0 s VAL 75 N 0.50 1.12 -0.15 3.82 1.01 -0.32 -4.47 120.40 121.91 1ff0 s VAL 75 Ca 0.46 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1ff0 s VAL 75 Cb -0.21 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1ff0 s VAL 75 CO 0.26 0.35 0.17 -0.76 0.00 0.00 0.00 175.10 175.12 1ff0 s LEU 76 N 0.63 4.30 -0.11 3.92 1.43 0.02 -1.15 118.68 127.73 1ff0 s LEU 76 Ca -0.14 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1ff0 s LEU 76 Cb -0.15 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1ff0 s LEU 76 CO 0.04 0.28 -0.20 -0.69 0.23 0.00 0.00 176.35 176.00 1ff0 s VAL 77 N -0.30 1.82 -0.00 -1.59 1.01 0.14 -0.05 120.40 121.43 1ff0 s VAL 77 Ca 0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1ff0 s VAL 77 Cb -0.12 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1ff0 s VAL 77 CO 0.02 0.50 0.17 0.61 0.00 0.00 0.00 175.10 176.40 1ff0 n GLY 78 N 3.85 0.59 2.24 4.51 0.00 -0.96 -0.06 105.19 115.36 1ff0 n GLY 78 Ca -0.20 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 1ff0 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ff0 n PRO 79 N -0.12 1.19 -2.78 1.61 -0.04 -1.26 -2.17 135.00 131.42 1ff0 n PRO 79 Ca 0.01 -0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 62.45 1ff0 n PRO 79 Cb 0.08 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 1ff0 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ff0 s THR 80 N 1.94 4.11 -0.28 0.52 -1.32 -1.26 -4.95 115.64 114.41 1ff0 s THR 80 Ca 0.38 2.04 0.28 0.00 -1.21 0.00 0.00 61.69 63.18 1ff0 s THR 80 Cb 0.18 -4.31 0.32 0.00 -1.51 0.00 0.00 72.50 67.18 1ff0 s THR 80 CO -0.00 0.50 1.82 1.55 -2.21 0.00 0.00 174.62 176.28 1ff0 h PRO 81 N 4.19 0.00 -3.60 7.08 0.13 -1.98 -3.44 132.00 134.38 1ff0 h PRO 81 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 1ff0 h PRO 81 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1ff0 h PRO 81 CO 0.68 0.00 -0.62 0.08 -0.23 0.00 0.00 178.00 177.91 1ff0 s VAL 82 N -3.42 0.03 -0.15 1.56 1.01 -1.26 -5.10 120.40 113.06 1ff0 s VAL 82 Ca 0.04 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1ff0 s VAL 82 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.28 1ff0 s VAL 82 CO 0.50 -0.12 1.30 0.20 0.00 0.00 0.00 175.10 176.98 1ff0 s ASN 83 N -0.35 6.92 -0.19 3.32 0.01 -1.26 -4.71 114.94 118.69 1ff0 s ASN 83 Ca -0.04 1.74 -0.02 0.00 -0.71 0.00 0.00 52.86 53.83 1ff0 s ASN 83 Cb -0.03 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 1ff0 s ASN 83 CO 0.00 -0.77 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.09 1ff0 s ILE 84 N 3.51 3.04 -0.39 0.60 1.01 0.13 0.14 121.20 129.25 1ff0 s ILE 84 Ca 0.56 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 1ff0 s ILE 84 Cb -0.23 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.91 1ff0 s ILE 84 CO 0.16 0.47 0.39 -0.63 0.00 0.00 0.00 174.94 175.34 1ff0 s ILE 85 N 1.16 5.14 0.69 2.92 -1.09 0.33 -0.80 121.20 129.54 1ff0 s ILE 85 Ca 0.02 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1ff0 s ILE 85 Cb -0.14 -3.94 0.14 0.00 -1.58 0.00 0.00 42.46 36.93 1ff0 s ILE 85 CO -0.03 -0.28 0.95 0.61 -1.23 0.00 0.00 174.94 174.96 1ff0 n GLY 86 N 5.05 0.57 0.27 6.18 0.00 -1.17 -1.30 105.19 114.79 1ff0 n GLY 86 Ca -0.08 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 43.99 1ff0 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ff0 h ARG 87 N 0.00 0.11 -0.28 1.61 3.08 -0.92 -0.83 114.38 117.15 1ff0 h ARG 87 Ca -0.31 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.81 1ff0 h ARG 87 Cb 1.14 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1ff0 h ARG 87 CO 0.33 0.08 0.22 -2.95 -1.07 0.00 0.00 179.97 176.58 1ff0 h ASN 88 N 0.11 0.00 0.00 7.04 -1.07 -1.77 -1.90 115.58 118.00 1ff0 h ASN 88 Ca 0.03 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.13 1ff0 h ASN 88 Cb -0.01 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.19 1ff0 h ASN 88 CO -0.01 0.00 -2.01 0.18 0.07 0.00 0.00 177.43 175.67 1ff0 n LEU 89 N -4.26 0.00 -0.15 6.14 4.77 -0.81 -4.33 117.00 118.37 1ff0 n LEU 89 Ca 0.04 -0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1ff0 n LEU 89 Cb 0.38 0.36 0.28 0.00 -2.33 0.00 0.00 43.42 42.11 1ff0 n LEU 89 CO 0.33 0.36 1.18 -0.07 -1.33 0.00 0.00 177.39 177.86 1ff0 h LEU 90 N 0.00 0.75 -0.93 2.23 3.38 -0.82 -1.36 115.31 118.56 1ff0 h LEU 90 Ca -0.40 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1ff0 h LEU 90 Cb 1.91 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1ff0 h LEU 90 CO 0.02 0.57 -0.20 0.71 0.09 0.00 0.00 178.44 179.64 1ff0 h THR 91 N 0.86 1.26 -0.16 0.22 1.35 -1.58 -1.24 112.91 113.63 1ff0 h THR 91 Ca 0.23 -1.20 -0.08 0.00 -0.55 0.00 0.00 66.41 64.81 1ff0 h THR 91 Cb -0.04 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 1ff0 h THR 91 CO -0.04 0.39 -0.25 1.56 -0.25 0.00 0.00 175.52 176.93 1ff0 h GLN 92 N 0.50 0.28 -0.54 4.72 4.20 -1.45 -2.39 115.11 120.43 1ff0 h GLN 92 Ca 0.08 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ff0 h GLN 92 Cb 0.62 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1ff0 h GLN 92 CO 0.04 0.52 0.00 0.44 -0.67 0.00 0.00 178.83 179.16 1ff0 n ILE 93 N -4.15 0.85 -2.68 2.54 -5.35 -1.04 -4.94 119.36 104.58 1ff0 n ILE 93 Ca -0.01 -0.72 -0.16 0.00 -0.27 0.00 0.00 62.75 61.59 1ff0 n ILE 93 Cb 0.37 0.25 0.02 0.00 -1.74 0.00 0.00 39.64 38.54 1ff0 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ff0 n GLY 94 N 1.20 -0.18 3.75 3.28 0.00 -0.90 -5.00 105.19 107.34 1ff0 n GLY 94 Ca 0.17 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ff0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ff0 s ALA 95 N -2.93 3.34 0.10 4.61 0.00 -0.48 -5.03 121.76 121.36 1ff0 s ALA 95 Ca 0.17 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1ff0 s ALA 95 Cb -0.07 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ff0 s ALA 95 CO 0.21 0.03 -0.07 0.95 0.00 0.00 0.00 175.76 176.88 1ff0 s THR 96 N -0.82 0.70 -0.15 0.00 -4.23 -1.26 -4.72 115.64 105.17 1ff0 s THR 96 Ca 0.44 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.96 1ff0 s THR 96 Cb -0.27 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1ff0 s THR 96 CO 0.34 -0.87 0.05 -0.76 -0.54 0.00 0.00 174.62 172.84 1ff0 s LEU 97 N -3.04 3.79 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.27 1ff0 s LEU 97 Ca 0.12 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1ff0 s LEU 97 Cb 0.05 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1ff0 s LEU 97 CO -0.05 0.25 -0.05 0.20 0.23 0.00 0.00 176.35 176.94 1ff0 s ASN 98 N -0.09 0.77 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.48 1ff0 s ASN 98 Ca 0.06 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 1ff0 s ASN 98 Cb -0.12 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 1ff0 s ASN 98 CO 0.01 -0.00 0.00 2.22 -2.57 0.00 0.00 177.10 176.76