#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sro s GLU 2 N 0.00 2.84 0.33 0.00 8.01 -1.26 -5.07 118.70 123.55 1sro s GLU 2 Ca 0.00 -3.14 -0.24 0.00 0.01 0.00 0.00 54.97 51.60 1sro s GLU 2 Cb 0.00 -3.72 -0.15 0.00 -4.31 0.00 0.00 34.13 25.94 1sro s GLU 2 CO 0.00 -1.25 0.39 1.51 0.01 0.00 0.00 175.26 175.93 1sro n ILE 3 N 2.45 1.44 -4.29 -1.63 0.00 -1.26 -4.97 119.36 111.10 1sro n ILE 3 Ca 0.18 -0.50 -0.15 0.00 0.00 0.00 0.00 62.75 62.27 1sro n ILE 3 Cb 0.36 -0.18 -0.10 0.00 0.00 0.00 0.00 39.64 39.72 1sro n ILE 3 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1sro s GLU 4 N -1.16 1.32 0.83 9.51 2.12 -1.26 -5.15 118.70 124.90 1sro s GLU 4 Ca 0.62 -1.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.13 1sro s GLU 4 Cb -0.73 -0.23 0.09 0.00 0.26 0.00 0.00 34.13 33.51 1sro s GLU 4 CO 0.59 -0.26 1.14 0.08 -0.54 0.00 0.00 175.26 176.27 1sro s VAL 5 N -3.75 2.44 0.00 3.70 1.01 -1.26 -3.80 120.40 118.74 1sro s VAL 5 Ca 0.34 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1sro s VAL 5 Cb 0.07 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1sro s VAL 5 CO 0.11 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1sro n GLY 6 N -2.67 0.67 3.88 4.51 0.00 -0.89 -5.02 105.19 105.68 1sro n GLY 6 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1sro n GLY 6 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sro s ARG 7 N -0.01 3.20 -0.26 1.61 6.06 -1.25 -4.89 118.95 123.41 1sro s ARG 7 Ca 0.00 -0.76 -0.21 0.00 -2.50 0.00 0.00 55.73 52.26 1sro s ARG 7 Cb 0.00 -2.80 -0.01 0.00 0.06 0.00 0.00 34.95 32.19 1sro s ARG 7 CO 0.00 0.48 0.67 0.08 -2.50 0.00 0.00 175.30 174.03 1sro s VAL 8 N -1.82 4.95 -0.18 7.11 1.01 -1.26 -1.15 120.40 129.05 1sro s VAL 8 Ca 0.33 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 1sro s VAL 8 Cb -0.10 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1sro s VAL 8 CO 0.26 -0.01 0.04 -0.31 0.00 0.00 0.00 175.10 175.08 1sro s TYR 9 N 2.59 3.18 -0.64 5.22 1.51 0.47 -4.88 117.35 124.81 1sro s TYR 9 Ca 0.28 -0.05 -0.27 0.00 -1.01 0.00 0.00 57.07 56.02 1sro s TYR 9 Cb -0.15 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1sro s TYR 9 CO 0.09 0.08 1.42 0.99 -1.11 0.00 0.00 175.55 177.01 1sro s THR 10 N 0.42 3.71 -0.32 -0.71 2.01 -1.26 -0.81 115.64 118.68 1sro s THR 10 Ca 0.01 0.51 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 1sro s THR 10 Cb -0.13 -4.57 0.02 0.00 0.01 0.00 0.00 72.50 67.83 1sro s THR 10 CO 0.01 -1.41 1.07 -0.83 -0.69 0.00 0.00 174.62 172.77 1sro s GLY 11 N 4.63 1.55 0.26 4.40 0.00 0.72 -4.62 107.32 114.26 1sro s GLY 11 Ca 0.47 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.99 1sro s GLY 11 CO 0.20 2.26 0.61 0.54 0.00 0.00 0.00 173.10 176.72 1sro s LYS 12 N 3.66 3.87 -0.53 2.90 1.02 -0.30 -1.27 119.74 129.10 1sro s LYS 12 Ca 0.45 0.41 -0.24 0.00 0.02 0.00 0.00 55.97 56.61 1sro s LYS 12 Cb -0.12 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1sro s LYS 12 CO 0.16 0.26 0.91 0.08 -0.92 0.00 0.00 175.35 175.84 1sro s VAL 13 N -1.87 4.45 -0.04 3.17 1.01 -0.82 -1.71 120.40 124.60 1sro s VAL 13 Ca 0.50 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1sro s VAL 13 Cb -0.11 -4.49 -0.09 0.00 0.00 0.00 0.00 36.38 31.69 1sro s VAL 13 CO 0.20 -1.02 0.08 0.35 0.00 0.00 0.00 175.10 174.70 1sro n THR 14 N 6.19 0.23 -3.91 3.92 -2.24 -1.26 -3.49 114.28 113.71 1sro n THR 14 Ca 0.02 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1sro n THR 14 Cb 0.48 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 1sro n THR 14 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sro s ARG 15 N -2.29 0.52 0.03 -0.78 0.52 -1.23 -5.00 118.95 110.72 1sro s ARG 15 Ca -0.03 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1sro s ARG 15 Cb 0.03 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.68 1sro s ARG 15 CO 0.26 -0.12 -0.03 0.42 0.02 0.00 0.00 175.30 175.84 1sro s ILE 16 N -1.96 0.17 0.07 1.52 1.01 -1.26 -0.16 121.20 120.60 1sro s ILE 16 Ca -0.10 -1.31 0.03 0.00 0.00 0.00 0.00 60.65 59.26 1sro s ILE 16 Cb -0.05 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 1sro s ILE 16 CO -0.01 -0.72 -0.08 0.68 0.00 0.00 0.00 174.94 174.80 1sro s VAL 17 N -2.54 0.73 0.21 2.92 -7.23 -0.30 -4.68 120.40 109.51 1sro s VAL 17 Ca -0.06 -1.49 -0.10 0.00 -1.81 0.00 0.00 61.98 58.53 1sro s VAL 17 Cb -0.02 -1.14 0.15 0.00 0.56 0.00 0.00 36.38 35.93 1sro s VAL 17 CO -0.05 -0.56 1.87 0.44 -0.31 0.00 0.00 175.10 176.49 1sro h ASP 18 N 3.79 0.80 -0.48 4.85 3.32 -2.02 -1.35 116.42 125.35 1sro h ASP 18 Ca -0.36 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.47 1sro h ASP 18 Cb 1.19 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.43 1sro h ASP 18 CO 0.51 0.57 0.26 2.22 -1.72 0.00 0.00 179.24 181.07 1sro n PHE 19 N -4.61 1.51 -0.89 4.55 1.16 -1.26 -4.80 117.46 113.12 1sro n PHE 19 Ca 0.08 -1.00 0.00 0.00 -1.87 0.00 0.00 57.45 54.66 1sro n PHE 19 Cb 0.05 -0.54 0.00 0.00 -1.61 0.00 0.00 39.48 37.38 1sro n PHE 19 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sro n GLY 20 N -0.19 -0.16 3.25 4.97 0.00 -0.51 -3.16 105.19 109.40 1sro n GLY 20 Ca 0.28 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1sro n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sro s ALA 21 N -1.00 -0.87 0.26 4.61 0.00 0.16 -1.15 121.76 123.77 1sro s ALA 21 Ca 0.00 0.77 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1sro s ALA 21 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1sro s ALA 21 CO 0.00 -0.21 0.26 -0.06 0.00 0.00 0.00 175.76 175.75 1sro s PHE 22 N -0.39 3.17 0.10 0.00 0.40 0.78 0.12 117.98 122.16 1sro s PHE 22 Ca -0.05 -0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.03 1sro s PHE 22 Cb -0.03 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 42.01 1sro s PHE 22 CO 0.02 0.44 0.32 0.08 0.70 0.00 0.00 175.22 176.78 1sro s VAL 23 N -2.12 0.10 0.01 -0.44 1.01 0.78 -3.52 120.40 116.22 1sro s VAL 23 Ca 0.35 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1sro s VAL 23 Cb -0.08 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1sro s VAL 23 CO 0.26 -0.43 -0.03 0.00 0.00 0.00 0.00 175.10 174.90 1sro s ALA 24 N -3.68 0.24 -0.22 5.51 0.00 -0.69 0.15 121.76 123.06 1sro s ALA 24 Ca 0.03 -0.28 0.10 0.00 0.00 0.00 0.00 51.96 51.81 1sro s ALA 24 Cb 0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 23.12 22.93 1sro s ALA 24 CO -0.11 0.01 -0.07 0.44 0.00 0.00 0.00 175.76 176.03 1sro n ILE 25 N 2.57 1.40 0.00 0.00 -5.35 -0.65 -1.15 119.36 116.18 1sro n ILE 25 Ca -0.16 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 1sro n ILE 25 Cb 0.58 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 1sro n ILE 25 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sro n GLY 26 N 2.02 1.21 1.67 3.28 0.00 -0.88 -4.83 105.19 107.66 1sro n GLY 26 Ca -0.38 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1sro n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sro n GLY 27 N 1.16 2.04 0.00 -0.02 0.00 -1.26 -4.19 105.19 102.92 1sro n GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sro n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sro n GLY 28 N -2.00 0.72 3.64 -0.02 0.00 -1.26 -5.15 105.19 101.12 1sro n GLY 28 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1sro n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sro s LYS 29 N 0.00 0.07 0.08 1.61 1.02 -1.26 -5.11 119.74 116.15 1sro s LYS 29 Ca 0.00 0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.02 1sro s LYS 29 Cb 0.00 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 1sro s LYS 29 CO 0.00 -0.02 -0.07 -1.83 -0.92 0.00 0.00 175.35 172.51 1sro s GLU 30 N -1.01 0.72 0.51 1.68 1.03 -1.26 -1.64 118.70 118.73 1sro s GLU 30 Ca 0.09 -1.13 0.05 0.00 0.03 0.00 0.00 54.97 54.00 1sro s GLU 30 Cb -0.01 -0.22 0.01 0.00 -0.80 0.00 0.00 34.13 33.11 1sro s GLU 30 CO -0.08 0.00 0.28 0.20 -1.33 0.00 0.00 175.26 174.34 1sro s GLY 31 N -2.54 2.49 -0.06 -3.83 0.00 0.12 -4.78 107.32 98.72 1sro s GLY 31 Ca 0.04 -1.25 -0.03 0.00 0.00 0.00 0.00 44.72 43.49 1sro s GLY 31 CO -0.03 -1.98 0.09 -2.27 0.00 0.00 0.00 173.10 168.91 1sro s LEU 32 N -4.13 0.09 -1.21 0.66 2.96 -1.26 -0.15 118.68 115.64 1sro s LEU 32 Ca 0.30 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.28 1sro s LEU 32 Cb -0.00 -0.03 0.20 0.00 0.50 0.00 0.00 46.19 46.86 1sro s LEU 32 CO 0.18 -0.25 2.07 0.52 -1.32 0.00 0.00 176.35 177.54 1sro n VAL 33 N 5.31 5.41 -1.09 1.68 0.31 0.32 -4.85 118.33 125.42 1sro n VAL 33 Ca -0.04 -4.99 -0.35 0.00 -0.01 0.00 0.00 64.34 58.95 1sro n VAL 33 Cb 0.50 -1.95 0.07 0.00 -0.91 0.00 0.00 33.84 31.55 1sro n VAL 33 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1sro n HIS 34 N 1.42 -1.94 -0.21 3.52 -0.00 -1.02 0.37 115.22 117.36 1sro n HIS 34 Ca 0.51 0.26 -0.05 0.00 0.46 0.00 0.00 57.72 58.91 1sro n HIS 34 Cb 0.27 -1.77 0.01 0.00 -0.12 0.00 0.00 29.99 28.38 1sro n HIS 34 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 1sro h ILE 35 N -0.77 0.17 -0.07 3.57 6.09 -1.79 0.70 117.51 125.41 1sro h ILE 35 Ca -0.44 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 62.98 1sro h ILE 35 Cb 1.33 0.17 -0.03 0.00 0.47 0.00 0.00 36.82 38.76 1sro h ILE 35 CO 0.37 0.00 0.01 -0.24 -3.07 0.00 0.00 178.15 175.21 1sro n SER 36 N -5.44 5.48 -2.94 2.19 2.88 -1.26 -4.26 113.62 110.28 1sro n SER 36 Ca 0.05 -2.51 -0.13 0.00 -1.33 0.00 0.00 58.87 54.94 1sro n SER 36 Cb 0.36 -1.16 0.03 0.00 -0.75 0.00 0.00 64.21 62.69 1sro n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sro n GLN 37 N 1.48 0.96 0.00 -1.46 6.02 0.24 -5.05 117.38 119.57 1sro n GLN 37 Ca 0.10 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.51 1sro n GLN 37 Cb 0.56 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1sro n GLN 37 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1sro n ILE 38 N 0.50 0.00 -3.12 5.09 -0.00 -1.26 -4.46 119.36 116.10 1sro n ILE 38 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.90 1sro n ILE 38 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.31 1sro n ILE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1sro n ALA 39 N -3.00 0.00 0.46 -1.39 0.00 -1.26 -4.69 120.51 110.63 1sro n ALA 39 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1sro n ALA 39 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1sro n ALA 39 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1sro h ASP 40 N 0.00 -0.99 -2.77 0.00 1.82 -1.93 -3.43 116.42 109.12 1sro h ASP 40 Ca 0.00 0.03 -0.57 0.00 -0.39 0.00 0.00 57.03 56.10 1sro h ASP 40 Cb 0.00 0.26 0.19 0.00 0.68 0.00 0.00 39.33 40.45 1sro h ASP 40 CO 0.00 -0.71 -0.74 0.29 -1.61 0.00 0.00 179.24 176.48 1sro n LYS 41 N -5.13 0.22 0.00 0.28 4.76 -1.26 -4.75 118.16 112.28 1sro n LYS 41 Ca -0.14 0.10 0.06 0.00 -2.87 0.00 0.00 58.31 55.45 1sro n LYS 41 Cb 0.46 -1.53 0.30 0.00 -1.84 0.00 0.00 35.03 32.42 1sro n LYS 41 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sro n ARG 42 N 0.22 0.18 -3.90 1.97 3.00 -1.26 -4.85 116.66 112.03 1sro n ARG 42 Ca 0.08 0.16 -0.26 0.00 -0.01 0.00 0.00 57.85 57.82 1sro n ARG 42 Cb 0.50 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.45 1sro n ARG 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1sro n VAL 43 N -1.26 -3.57 -0.60 1.55 0.31 -1.26 -4.71 118.33 108.78 1sro n VAL 43 Ca 0.06 -0.57 0.48 0.00 -0.01 0.00 0.00 64.34 64.29 1sro n VAL 43 Cb 0.09 -2.98 0.77 0.00 -0.91 0.00 0.00 33.84 30.81 1sro n VAL 43 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1sro h GLU 44 N -1.86 0.01 -4.94 5.55 5.08 -1.92 -3.29 114.58 113.20 1sro h GLU 44 Ca -0.64 -0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.06 1sro h GLU 44 Cb 1.37 -0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.34 1sro h GLU 44 CO 0.60 0.01 -0.71 0.15 -1.00 0.00 0.00 179.01 178.06 1sro s LYS 45 N -5.02 3.24 0.32 2.33 1.02 -1.26 -4.96 119.74 115.41 1sro s LYS 45 Ca -0.06 -0.72 0.16 0.00 0.02 0.00 0.00 55.97 55.37 1sro s LYS 45 Cb 0.28 -3.08 0.41 0.00 -0.52 0.00 0.00 37.83 34.92 1sro s LYS 45 CO 0.87 -0.28 1.60 0.28 -0.92 0.00 0.00 175.35 176.91 1sro h VAL 46 N 5.81 1.01 0.00 3.17 2.07 -1.84 -2.49 116.25 123.99 1sro h VAL 46 Ca -0.38 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1sro h VAL 46 Cb 1.15 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1sro h VAL 46 CO 0.60 0.48 0.00 0.35 0.02 0.00 0.00 177.57 179.02 1sro n THR 47 N -3.46 0.00 -0.10 2.57 -2.24 -1.26 -1.48 114.28 108.31 1sro n THR 47 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1sro n THR 47 Cb 0.62 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.46 1sro n THR 47 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sro n ASP 48 N -0.73 1.49 -0.01 3.42 9.92 -0.94 -4.46 116.55 125.24 1sro n ASP 48 Ca 0.11 -0.04 -0.14 0.00 -0.53 0.00 0.00 54.79 54.19 1sro n ASP 48 Cb 0.05 -0.12 -0.14 0.00 -0.64 0.00 0.00 41.12 40.27 1sro n ASP 48 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1sro n TYR 49 N -3.16 1.10 -4.26 1.24 4.02 -1.18 -4.90 117.16 110.03 1sro n TYR 49 Ca -0.40 0.32 -0.31 0.00 -0.01 0.00 0.00 57.90 57.51 1sro n TYR 49 Cb 1.04 -1.18 -0.09 0.00 -0.02 0.00 0.00 39.34 39.09 1sro n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1sro s LEU 50 N -6.47 3.25 -0.05 7.72 1.02 -0.55 -5.05 118.68 118.55 1sro s LEU 50 Ca -0.12 -0.23 -0.16 0.00 0.02 0.00 0.00 54.13 53.65 1sro s LEU 50 Cb 0.07 -1.97 0.03 0.00 0.02 0.00 0.00 46.19 44.35 1sro s LEU 50 CO 0.80 0.21 0.36 -1.58 0.02 0.00 0.00 176.35 176.16 1sro s GLN 51 N -1.99 0.63 -0.91 1.70 0.74 -1.26 -4.35 119.66 114.21 1sro s GLN 51 Ca 0.22 0.05 -0.25 0.00 0.05 0.00 0.00 55.36 55.43 1sro s GLN 51 Cb -0.11 0.29 -0.10 0.00 1.10 0.00 0.00 33.01 34.19 1sro s GLN 51 CO 0.13 -0.16 2.11 -1.64 -0.55 0.00 0.00 175.29 175.19 1sro s MET 52 N -0.87 2.11 0.00 1.67 -1.94 -1.26 -1.69 119.30 117.32 1sro s MET 52 Ca -0.09 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1sro s MET 52 Cb -0.04 -4.99 0.00 0.00 2.01 0.00 0.00 34.83 31.81 1sro s MET 52 CO 0.04 -3.99 0.00 0.41 -0.01 0.00 0.00 175.02 171.46 1sro n GLY 53 N 6.66 0.78 3.90 -0.03 0.00 -1.23 -5.06 105.19 110.21 1sro n GLY 53 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1sro n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sro s GLN 54 N 0.00 2.18 -0.13 1.61 -1.52 -0.68 -4.88 119.66 116.24 1sro s GLN 54 Ca 0.00 0.12 -0.04 0.00 -1.95 0.00 0.00 55.36 53.50 1sro s GLN 54 Cb 0.00 -2.00 0.06 0.00 -0.22 0.00 0.00 33.01 30.85 1sro s GLN 54 CO 0.00 -1.43 0.18 -1.21 -0.25 0.00 0.00 175.29 172.59 1sro s GLU 55 N -5.48 0.09 -0.01 2.91 2.02 -1.26 -1.94 118.70 115.03 1sro s GLU 55 Ca 0.61 0.45 0.05 0.00 0.02 0.00 0.00 54.97 56.10 1sro s GLU 55 Cb -0.11 -0.59 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 1sro s GLU 55 CO 0.49 -0.42 -0.15 0.14 0.02 0.00 0.00 175.26 175.34 1sro s VAL 56 N 2.31 3.04 0.29 2.63 -7.23 -0.39 -4.95 120.40 116.11 1sro s VAL 56 Ca 0.04 -0.89 -0.28 0.00 -1.81 0.00 0.00 61.98 59.04 1sro s VAL 56 Cb -0.13 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 1sro s VAL 56 CO -0.08 0.48 0.97 -2.16 -0.31 0.00 0.00 175.10 174.00 1sro s PRO 57 N -1.06 4.66 0.29 4.82 0.04 -1.26 -0.20 135.00 142.28 1sro s PRO 57 Ca 0.13 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1sro s PRO 57 Cb -0.11 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1sro s PRO 57 CO 0.03 0.32 0.19 0.14 0.04 0.00 0.00 177.00 177.73 1sro s VAL 58 N -1.41 0.14 -0.22 -0.36 -7.23 0.01 -1.14 120.40 110.20 1sro s VAL 58 Ca 0.47 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1sro s VAL 58 Cb -0.23 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.26 1sro s VAL 58 CO 0.29 0.00 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.49 1sro s LYS 59 N -3.78 1.57 -0.85 4.82 1.02 0.33 -0.39 119.74 122.46 1sro s LYS 59 Ca 0.38 -0.87 -0.19 0.00 0.02 0.00 0.00 55.97 55.31 1sro s LYS 59 Cb 0.05 -2.46 -0.21 0.00 -0.52 0.00 0.00 37.83 34.69 1sro s LYS 59 CO 0.19 -0.56 2.24 0.28 -0.92 0.00 0.00 175.35 176.58 1sro n VAL 60 N 4.73 0.00 0.23 3.17 0.31 -0.30 -0.67 118.33 125.80 1sro n VAL 60 Ca -0.12 -0.46 0.09 0.00 -0.01 0.00 0.00 64.34 63.83 1sro n VAL 60 Cb 0.45 -1.24 0.55 0.00 -0.91 0.00 0.00 33.84 32.69 1sro n VAL 60 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1sro h LEU 61 N 18.15 0.00 0.00 7.52 5.85 -0.75 -2.37 115.31 143.71 1sro h LEU 61 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1sro h LEU 61 Cb 1.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1sro h LEU 61 CO 1.21 0.22 0.00 -0.62 -0.34 0.00 0.00 178.44 178.92 1sro n GLU 62 N -3.73 0.00 0.00 1.25 1.02 -1.08 -4.81 120.64 113.30 1sro n GLU 62 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1sro n GLU 62 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 1sro n GLU 62 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sro n VAL 63 N -0.96 0.00 -0.46 2.62 0.31 -1.26 -0.93 118.33 117.67 1sro n VAL 63 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sro n VAL 63 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1sro n VAL 63 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1sro n ASP 64 N 0.00 -0.52 -0.12 4.52 5.75 -1.21 0.30 116.55 125.26 1sro n ASP 64 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 1sro n ASP 64 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1sro n ASP 64 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1sro h ARG 65 N 0.00 -0.03 -3.25 0.11 0.11 -2.05 -2.63 114.38 106.65 1sro h ARG 65 Ca 0.00 0.00 -0.76 0.00 0.10 0.00 0.00 59.98 59.32 1sro h ARG 65 Cb 0.00 0.01 -0.15 0.00 1.11 0.00 0.00 29.97 30.93 1sro h ARG 65 CO 0.00 -0.02 2.05 1.04 0.10 0.00 0.00 179.97 183.14 1sro n GLN 66 N -5.33 3.91 0.00 0.08 6.02 -1.21 -4.69 117.38 116.17 1sro n GLN 66 Ca 0.02 -3.57 0.00 0.00 -0.01 0.00 0.00 57.00 53.44 1sro n GLN 66 Cb 0.24 -2.83 0.00 0.00 1.02 0.00 0.00 30.24 28.67 1sro n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sro n GLY 67 N 2.44 0.06 3.46 1.08 0.00 0.15 -4.48 105.19 107.89 1sro n GLY 67 Ca 0.44 0.67 -0.44 0.00 0.00 0.00 0.00 46.02 46.69 1sro n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sro s ARG 68 N 0.00 3.90 -0.94 1.61 0.52 -1.26 -3.30 118.95 119.48 1sro s ARG 68 Ca 0.00 -2.25 -0.09 0.00 -0.52 0.00 0.00 55.73 52.87 1sro s ARG 68 Cb 0.00 -5.01 -0.01 0.00 0.52 0.00 0.00 34.95 30.45 1sro s ARG 68 CO 0.00 -1.78 0.73 -0.89 0.02 0.00 0.00 175.30 173.38 1sro n ILE 69 N 4.99 -6.79 -2.88 1.52 2.08 -1.26 -4.85 119.36 112.16 1sro n ILE 69 Ca 0.32 -0.54 -0.44 0.00 0.56 0.00 0.00 62.75 62.65 1sro n ILE 69 Cb 0.45 -4.94 0.00 0.00 -0.75 0.00 0.00 39.64 34.40 1sro n ILE 69 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1sro n ARG 70 N -3.01 3.40 -3.31 0.38 3.00 -0.10 -4.64 116.66 112.37 1sro n ARG 70 Ca -0.12 -3.82 -0.35 0.00 -0.00 0.00 0.00 57.85 53.56 1sro n ARG 70 Cb 0.59 -3.02 -0.06 0.00 0.00 0.00 0.00 32.46 29.97 1sro n ARG 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1sro s LEU 71 N 1.34 4.31 -0.49 6.15 1.43 -1.26 -0.02 118.68 130.14 1sro s LEU 71 Ca 0.42 1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 54.57 1sro s LEU 71 Cb -0.01 -3.39 0.13 0.00 0.03 0.00 0.00 46.19 42.94 1sro s LEU 71 CO 0.00 0.06 0.35 -0.55 0.23 0.00 0.00 176.35 176.45 1sro s SER 72 N -1.79 5.68 0.27 2.29 0.15 0.16 -4.80 113.70 115.66 1sro s SER 72 Ca 0.40 -2.01 -0.30 0.00 0.70 0.00 0.00 55.95 54.75 1sro s SER 72 Cb -0.15 -1.99 -0.14 0.00 -1.71 0.00 0.00 66.02 62.03 1sro s SER 72 CO 0.20 -0.66 1.17 -0.38 1.20 0.00 0.00 173.24 174.76 1sro n ILE 73 N 4.76 1.59 -1.13 6.45 2.08 -1.26 -0.51 119.36 131.34 1sro n ILE 73 Ca -0.06 -0.40 -0.36 0.00 0.56 0.00 0.00 62.75 62.49 1sro n ILE 73 Cb 0.41 -1.17 -0.00 0.00 -0.75 0.00 0.00 39.64 38.13 1sro n ILE 73 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1sro n LYS 74 N 1.14 0.00 -2.26 0.38 -0.00 -0.29 0.36 118.16 117.49 1sro n LYS 74 Ca 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.25 1sro n LYS 74 Cb 0.31 -0.87 -0.02 0.00 -0.00 0.00 0.00 35.03 34.45 1sro n LYS 74 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1sro n GLU 75 N 1.18 -1.88 0.00 -1.58 2.13 -1.26 -4.83 120.64 114.40 1sro n GLU 75 Ca 0.09 0.81 0.09 0.00 0.66 0.00 0.00 57.16 58.81 1sro n GLU 75 Cb 0.35 -5.38 0.53 0.00 0.27 0.00 0.00 31.44 27.21 1sro n GLU 75 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72