#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sro n GLU 2 N 0.00 -1.39 -3.93 0.00 2.13 -1.26 -4.84 120.64 111.35 1sro n GLU 2 Ca 0.00 0.92 -0.22 0.00 0.66 0.00 0.00 57.16 58.52 1sro n GLU 2 Cb 0.00 -1.70 -0.17 0.00 0.27 0.00 0.00 31.44 29.84 1sro n GLU 2 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1sro s ILE 3 N -1.16 0.49 -0.01 6.31 -1.09 -1.26 -5.13 121.20 119.35 1sro s ILE 3 Ca 0.00 -0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 1sro s ILE 3 Cb 0.00 -0.58 -0.04 0.00 -1.58 0.00 0.00 42.46 40.25 1sro s ILE 3 CO 0.00 0.25 0.23 -0.70 -1.23 0.00 0.00 174.94 173.49 1sro s GLU 4 N 1.53 3.52 0.65 2.79 2.56 -1.26 -5.08 118.70 123.41 1sro s GLU 4 Ca -0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 54.97 54.67 1sro s GLU 4 Cb -0.13 -3.10 -0.02 0.00 2.00 0.00 0.00 34.13 32.89 1sro s GLU 4 CO -0.03 0.67 1.05 0.08 -0.56 0.00 0.00 175.26 176.47 1sro s VAL 5 N -1.28 4.08 0.00 3.70 1.01 -1.26 -3.22 120.40 123.43 1sro s VAL 5 Ca 0.26 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1sro s VAL 5 Cb -0.13 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1sro s VAL 5 CO 0.16 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1sro n GLY 6 N -1.76 0.74 4.03 4.51 0.00 -1.01 -5.00 105.19 106.70 1sro n GLY 6 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.21 2.01 0.03 1.61 3.52 -1.20 -4.90 118.95 119.82 1sro s ARG 7 Ca 0.00 -1.58 0.09 0.00 -0.13 0.00 0.00 55.73 54.11 1sro s ARG 7 Cb 0.00 -2.54 -0.03 0.00 -1.56 0.00 0.00 34.95 30.82 1sro s ARG 7 CO 0.00 -1.14 -0.25 0.08 -0.81 0.00 0.00 175.30 173.18 1sro s VAL 8 N -2.86 2.23 -0.04 7.11 1.01 -1.26 -0.94 120.40 125.65 1sro s VAL 8 Ca 0.65 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1sro s VAL 8 Cb -0.05 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1sro s VAL 8 CO 0.42 0.40 -0.02 -0.31 0.00 0.00 0.00 175.10 175.59 1sro s TYR 9 N -0.79 0.47 -0.39 5.22 1.51 -0.49 -4.85 117.35 118.03 1sro s TYR 9 Ca 0.12 -0.07 -0.16 0.00 -1.01 0.00 0.00 57.07 55.94 1sro s TYR 9 Cb -0.10 -0.51 0.01 0.00 -0.11 0.00 0.00 41.96 41.25 1sro s TYR 9 CO 0.02 -0.15 0.38 0.99 -1.11 0.00 0.00 175.55 175.67 1sro s THR 10 N 1.00 5.15 0.14 -0.71 2.01 -1.26 0.11 115.64 122.08 1sro s THR 10 Ca -0.10 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 61.72 1sro s THR 10 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1sro s THR 10 CO -0.01 -0.27 -0.09 -0.83 -0.69 0.00 0.00 174.62 172.72 1sro s GLY 11 N 1.76 1.76 0.48 4.40 0.00 -0.34 -4.64 107.32 110.74 1sro s GLY 11 Ca 0.10 -1.34 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 1sro s GLY 11 CO 0.12 -1.34 0.75 0.54 0.00 0.00 0.00 173.10 173.17 1sro s LYS 12 N -2.49 3.26 -0.73 2.90 1.02 0.58 -1.09 119.74 123.18 1sro s LYS 12 Ca 0.23 -0.11 -0.22 0.00 0.02 0.00 0.00 55.97 55.89 1sro s LYS 12 Cb -0.10 -2.44 0.08 0.00 -0.52 0.00 0.00 37.83 34.85 1sro s LYS 12 CO 0.14 -0.29 1.01 0.08 -0.92 0.00 0.00 175.35 175.38 1sro s VAL 13 N -2.69 4.40 -1.72 3.17 1.01 -0.45 -1.56 120.40 122.55 1sro s VAL 13 Ca 0.48 -0.64 0.19 0.00 0.00 0.00 0.00 61.98 62.01 1sro s VAL 13 Cb -0.10 -4.72 -0.00 0.00 0.00 0.00 0.00 36.38 31.56 1sro s VAL 13 CO 0.42 -1.48 0.95 0.35 0.00 0.00 0.00 175.10 175.34 1sro n THR 14 N 5.86 0.00 -3.51 3.92 -2.24 -1.26 -2.35 114.28 114.70 1sro n THR 14 Ca 0.03 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1sro n THR 14 Cb 0.46 1.22 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 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 -2.12 0.95 0.04 -0.78 3.00 -1.21 -4.99 118.95 113.84 1sro s ARG 15 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 55.73 55.82 1sro s ARG 15 Cb 0.15 0.44 -0.01 0.00 0.00 0.00 0.00 34.95 35.53 1sro s ARG 15 CO 0.47 -0.35 0.08 0.42 0.00 0.00 0.00 175.30 175.92 1sro s ILE 16 N -2.03 0.14 0.07 1.52 1.01 -1.26 -0.47 121.20 120.18 1sro s ILE 16 Ca -0.04 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.46 1sro s ILE 16 Cb -0.00 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1sro s ILE 16 CO -0.00 -0.65 -0.08 0.68 0.00 0.00 0.00 174.94 174.90 1sro s VAL 17 N -2.76 0.66 0.24 2.92 -7.23 -0.31 -4.69 120.40 109.23 1sro s VAL 17 Ca -0.04 -1.52 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 1sro s VAL 17 Cb -0.00 -1.17 0.23 0.00 0.56 0.00 0.00 36.38 36.00 1sro s VAL 17 CO -0.05 -0.62 1.90 -0.78 -0.31 0.00 0.00 175.10 175.24 1sro h ASP 18 N 3.72 1.10 -0.36 4.85 1.82 -2.02 -1.32 116.42 124.22 1sro h ASP 18 Ca -0.36 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.15 1sro h ASP 18 Cb 1.18 -0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.87 1sro h ASP 18 CO 0.53 0.83 0.11 2.22 -1.61 0.00 0.00 179.24 181.31 1sro n PHE 19 N -4.40 1.23 0.00 0.28 1.16 -1.26 -4.84 117.46 109.64 1sro n PHE 19 Ca 0.10 -0.63 0.00 0.00 -1.87 0.00 0.00 57.45 55.06 1sro n PHE 19 Cb 0.04 -0.41 0.00 0.00 -1.61 0.00 0.00 39.48 37.50 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 0.11 -0.26 3.36 4.97 0.00 -0.50 -3.21 105.19 109.66 1sro n GLY 20 Ca 0.19 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.17 0.19 4.61 0.00 0.19 -1.16 121.76 123.42 1sro s ALA 21 Ca 0.00 0.91 0.07 0.00 0.00 0.00 0.00 51.96 52.94 1sro s ALA 21 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1sro s ALA 21 CO 0.00 -0.28 0.05 -0.06 0.00 0.00 0.00 175.76 175.47 1sro s PHE 22 N -0.79 2.93 0.19 0.00 0.40 0.38 0.12 117.98 121.20 1sro s PHE 22 Ca -0.09 -0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 1sro s PHE 22 Cb -0.03 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1sro s PHE 22 CO 0.05 0.53 0.23 0.08 0.70 0.00 0.00 175.22 176.80 1sro s VAL 23 N -1.85 0.03 0.03 -0.44 1.01 -0.29 -3.29 120.40 115.61 1sro s VAL 23 Ca 0.29 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1sro s VAL 23 Cb -0.09 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1sro s VAL 23 CO 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.11 1sro s ALA 24 N -4.07 0.38 -0.24 5.51 0.00 -0.60 0.34 121.76 123.07 1sro s ALA 24 Ca 0.28 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1sro s ALA 24 Cb 0.05 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.33 1sro s ALA 24 CO 0.07 -0.11 -0.10 0.96 0.00 0.00 0.00 175.76 176.58 1sro s ILE 25 N -1.64 1.93 0.00 0.00 -4.36 -0.50 -0.31 121.20 116.33 1sro s ILE 25 Ca -0.11 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1sro s ILE 25 Cb -0.08 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.56 1sro s ILE 25 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 1sro n GLY 26 N 4.53 2.32 0.00 6.27 0.00 -1.26 -3.86 105.19 113.19 1sro n GLY 26 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.01 0.10 -0.02 0.00 -1.26 -4.98 105.19 99.04 1sro n GLY 27 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1sro n GLY 27 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sro h GLY 28 N 0.00 0.26 -4.78 -0.02 0.00 -2.02 -3.45 103.07 93.06 1sro h GLY 28 Ca 0.00 -0.67 -0.61 0.00 0.00 0.00 0.00 47.33 46.05 1sro h GLY 28 CO 0.00 0.59 -0.48 0.54 0.00 0.00 0.00 176.54 177.19 1sro s LYS 29 N -2.38 3.46 0.11 4.80 3.01 -1.25 -5.04 119.74 122.44 1sro s LYS 29 Ca -0.15 -0.42 0.04 0.00 -1.01 0.00 0.00 55.97 54.44 1sro s LYS 29 Cb 0.00 -3.01 -0.04 0.00 -1.01 0.00 0.00 37.83 33.77 1sro s LYS 29 CO 0.80 0.59 -0.11 -1.21 0.51 0.00 0.00 175.35 175.92 1sro s GLU 30 N -2.58 0.91 0.23 1.68 8.01 -1.26 -1.41 118.70 124.28 1sro s GLU 30 Ca 0.36 -1.18 0.03 0.00 0.01 0.00 0.00 54.97 54.18 1sro s GLU 30 Cb -0.13 -0.66 0.03 0.00 -4.31 0.00 0.00 34.13 29.06 1sro s GLU 30 CO 0.28 0.11 0.24 0.41 0.01 0.00 0.00 175.26 176.31 1sro n GLY 31 N 0.56 2.51 3.20 -1.39 0.00 0.15 -4.58 105.19 105.64 1sro n GLY 31 Ca -0.16 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 1sro n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sro s LEU 32 N 0.00 -0.38 -1.06 0.99 2.96 -1.26 -1.14 118.68 118.79 1sro s LEU 32 Ca 0.18 0.85 -0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1sro s LEU 32 Cb -0.01 1.17 0.31 0.00 0.50 0.00 0.00 46.19 48.15 1sro s LEU 32 CO 0.11 -0.22 1.69 0.52 -1.32 0.00 0.00 176.35 177.13 1sro n VAL 33 N 5.05 5.73 -0.82 1.68 0.31 0.31 -4.73 118.33 125.87 1sro n VAL 33 Ca -0.12 -5.91 -0.34 0.00 -0.01 0.00 0.00 64.34 57.96 1sro n VAL 33 Cb 0.51 -1.81 0.11 0.00 -0.91 0.00 0.00 33.84 31.74 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 0.66 -2.11 -0.04 3.52 -0.00 -0.88 0.53 115.22 116.90 1sro n HIS 34 Ca 0.38 0.19 -0.08 0.00 0.46 0.00 0.00 57.72 58.67 1sro n HIS 34 Cb 0.29 -1.66 -0.02 0.00 -0.12 0.00 0.00 29.99 28.49 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 -1.53 0.51 -0.07 3.57 6.09 -1.78 -0.62 117.51 123.67 1sro h ILE 35 Ca -0.45 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.00 1sro h ILE 35 Cb 1.30 0.51 -0.02 0.00 0.47 0.00 0.00 36.82 39.08 1sro h ILE 35 CO 0.32 0.00 0.05 -1.20 -3.07 0.00 0.00 178.15 174.25 1sro n SER 36 N -5.33 3.66 -2.67 2.19 7.64 -1.26 -4.01 113.62 113.83 1sro n SER 36 Ca -0.01 -2.21 -0.09 0.00 1.01 0.00 0.00 58.87 57.57 1sro n SER 36 Cb 0.25 -0.67 0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1sro n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sro n GLN 37 N 0.61 1.44 0.00 1.43 1.13 -0.24 -5.01 117.38 116.74 1sro n GLN 37 Ca 0.04 -3.40 0.00 0.00 -1.94 0.00 0.00 57.00 51.71 1sro n GLN 37 Cb 0.57 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.53 1sro n GLN 37 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1sro n ILE 38 N -0.19 0.00 -0.11 5.09 -0.00 -1.26 -4.23 119.36 118.66 1sro n ILE 38 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 1sro n ILE 38 Cb 0.81 -0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.45 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 -0.23 -1.39 0.00 -1.26 -2.58 120.51 112.05 1sro n ALA 39 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1sro n ALA 39 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1sro n ALA 39 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sro h ASP 40 N 0.00 -1.61 0.00 0.00 5.19 -1.78 -3.43 116.42 114.79 1sro h ASP 40 Ca 0.00 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1sro h ASP 40 Cb 0.00 0.72 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1sro h ASP 40 CO 0.00 -0.33 0.00 1.17 -3.12 0.00 0.00 179.24 176.96 1sro n LYS 41 N -5.39 0.00 0.00 3.56 4.81 -1.26 -5.05 118.16 114.82 1sro n LYS 41 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1sro n LYS 41 Cb 0.34 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.39 1sro n LYS 41 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sro n ARG 42 N 0.00 0.00 -4.26 1.64 1.74 -1.26 -4.72 116.66 109.80 1sro n ARG 42 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1sro n ARG 42 Cb 0.00 -0.22 -0.08 0.00 -1.02 0.00 0.00 32.46 31.14 1sro n ARG 42 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sro n VAL 43 N 0.00 -1.35 -0.63 1.55 0.31 -1.26 -4.67 118.33 112.28 1sro n VAL 43 Ca 0.00 -0.46 0.50 0.00 -0.01 0.00 0.00 64.34 64.37 1sro n VAL 43 Cb 0.00 -1.31 0.80 0.00 -0.91 0.00 0.00 33.84 32.42 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 -1.74 0.01 -5.14 5.55 5.08 -1.96 -3.33 114.58 113.04 1sro h GLU 44 Ca -0.65 -0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.07 1sro h GLU 44 Cb 1.39 -0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.31 1sro h GLU 44 CO 0.71 0.00 -0.86 0.15 -1.00 0.00 0.00 179.01 178.01 1sro s LYS 45 N -4.92 2.70 0.32 2.33 1.02 -1.26 -5.00 119.74 114.94 1sro s LYS 45 Ca -0.05 -0.76 0.17 0.00 0.02 0.00 0.00 55.97 55.35 1sro s LYS 45 Cb 0.27 -2.07 0.23 0.00 -0.52 0.00 0.00 37.83 35.74 1sro s LYS 45 CO 0.88 0.14 1.52 -0.39 -0.92 0.00 0.00 175.35 176.59 1sro h VAL 46 N 5.77 0.72 0.00 3.17 -1.51 -1.84 -2.93 116.25 119.63 1sro h VAL 46 Ca -0.22 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.34 1sro h VAL 46 Cb 1.23 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.66 1sro h VAL 46 CO 0.47 0.39 0.00 0.35 -1.23 0.00 0.00 177.57 177.55 1sro n THR 47 N -3.24 0.00 -0.12 7.19 -2.24 -1.26 -1.32 114.28 113.29 1sro n THR 47 Ca 0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 1sro n THR 47 Cb 0.66 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.78 1.49 -0.01 3.42 9.92 -1.10 -4.48 116.55 125.00 1sro n ASP 48 Ca 0.11 -0.09 -0.12 0.00 -0.53 0.00 0.00 54.79 54.17 1sro n ASP 48 Cb 0.05 -0.08 -0.14 0.00 -0.64 0.00 0.00 41.12 40.32 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 -3.14 1.08 -3.84 1.24 4.02 -1.17 -4.86 117.16 110.49 1sro n TYR 49 Ca -0.42 0.34 -0.37 0.00 -0.01 0.00 0.00 57.90 57.44 1sro n TYR 49 Cb 1.03 -1.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.11 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 -6.35 4.40 -0.16 7.72 2.01 -0.43 -5.08 118.68 120.79 1sro s LEU 50 Ca -0.09 0.52 -0.03 0.00 0.01 0.00 0.00 54.13 54.54 1sro s LEU 50 Cb 0.08 -2.17 0.05 0.00 0.01 0.00 0.00 46.19 44.16 1sro s LEU 50 CO 0.81 0.39 0.04 -1.10 1.01 0.00 0.00 176.35 177.50 1sro s GLN 51 N -1.09 0.46 -0.78 1.70 -0.21 -1.26 -4.53 119.66 113.95 1sro s GLN 51 Ca 0.17 -0.19 -0.23 0.00 0.02 0.00 0.00 55.36 55.12 1sro s GLN 51 Cb -0.13 -1.73 -0.17 0.00 1.00 0.00 0.00 33.01 31.98 1sro s GLN 51 CO 0.06 -0.56 2.41 0.00 -2.12 0.00 0.00 175.29 175.08 1sro n MET 52 N 5.14 0.49 0.00 2.91 0.00 -1.26 -1.37 117.12 123.03 1sro n MET 52 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 57.70 57.33 1sro n MET 52 Cb 0.48 -2.71 0.00 0.00 0.00 0.00 0.00 33.22 31.00 1sro n MET 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sro n GLY 53 N 6.26 4.01 3.84 3.17 0.00 -0.99 -4.98 105.19 116.50 1sro n GLY 53 Ca 0.52 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 1.67 -0.12 1.61 -0.21 -0.47 -4.71 119.66 117.44 1sro s GLN 54 Ca 0.00 0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.66 1sro s GLN 54 Cb 0.00 -1.90 0.01 0.00 1.00 0.00 0.00 33.01 32.12 1sro s GLN 54 CO 0.00 -1.82 -0.18 -1.21 -2.12 0.00 0.00 175.29 169.95 1sro s GLU 55 N -5.40 2.59 0.01 2.91 2.02 -1.26 -1.35 118.70 118.22 1sro s GLU 55 Ca 0.62 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.99 1sro s GLU 55 Cb -0.13 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1sro s GLU 55 CO 0.52 -0.04 -0.21 0.14 0.02 0.00 0.00 175.26 175.69 1sro s VAL 56 N 0.90 2.53 0.49 2.63 -7.23 -0.25 -4.94 120.40 114.53 1sro s VAL 56 Ca -0.07 -1.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.81 1sro s VAL 56 Cb -0.15 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.71 1sro s VAL 56 CO -0.02 0.46 0.97 -2.16 -0.31 0.00 0.00 175.10 174.04 1sro s PRO 57 N -1.05 3.99 0.01 4.82 0.04 -1.26 -1.19 135.00 140.36 1sro s PRO 57 Ca 0.12 0.96 -0.00 0.00 0.04 0.00 0.00 61.00 62.12 1sro s PRO 57 Cb -0.10 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1sro s PRO 57 CO 0.02 -0.22 0.01 1.33 0.04 0.00 0.00 177.00 178.19 1sro n VAL 58 N -1.40 0.00 -3.71 -0.36 0.24 0.12 -1.31 118.33 111.91 1sro n VAL 58 Ca 0.06 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.34 62.15 1sro n VAL 58 Cb 0.54 0.03 -0.17 0.00 -1.47 0.00 0.00 33.84 32.77 1sro n VAL 58 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1sro s LYS 59 N -2.02 -0.04 -0.86 7.34 1.02 0.72 -1.40 119.74 124.51 1sro s LYS 59 Ca 0.01 0.34 -0.20 0.00 0.02 0.00 0.00 55.97 56.14 1sro s LYS 59 Cb -0.00 -0.36 -0.21 0.00 -0.52 0.00 0.00 37.83 36.74 1sro s LYS 59 CO 0.01 -0.26 2.29 0.28 -0.92 0.00 0.00 175.35 176.75 1sro n VAL 60 N 4.81 0.00 0.17 3.17 0.31 -0.12 -0.08 118.33 126.59 1sro n VAL 60 Ca -0.14 -0.49 0.04 0.00 -0.01 0.00 0.00 64.34 63.74 1sro n VAL 60 Cb 0.50 -1.26 0.45 0.00 -0.91 0.00 0.00 33.84 32.63 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 18.34 0.12 0.00 7.52 6.46 -0.34 -2.69 115.31 144.72 1sro h LEU 61 Ca 0.01 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1sro h LEU 61 Cb 1.05 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1sro h LEU 61 CO 1.22 0.27 0.00 -0.62 -0.62 0.00 0.00 178.44 178.69 1sro n GLU 62 N -4.32 -1.46 -3.77 1.25 1.02 -0.76 -4.81 120.64 107.80 1sro n GLU 62 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1sro n GLU 62 Cb 0.24 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.53 1sro n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sro s VAL 63 N -2.96 -0.02 0.41 2.62 1.01 -1.26 -0.85 120.40 119.36 1sro s VAL 63 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1sro s VAL 63 Cb 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 36.38 36.15 1sro s VAL 63 CO 0.00 0.03 0.56 -0.90 0.00 0.00 0.00 175.10 174.79 1sro n ASP 64 N 3.51 0.28 0.01 3.32 5.68 -1.22 -4.93 116.55 123.20 1sro n ASP 64 Ca -0.18 -1.35 0.10 0.00 -0.50 0.00 0.00 54.79 52.85 1sro n ASP 64 Cb 0.56 -0.41 0.43 0.00 -1.14 0.00 0.00 41.12 40.56 1sro n ASP 64 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1sro n ARG 65 N -2.14 0.02 -0.26 0.11 5.12 -1.26 -2.50 116.66 115.74 1sro n ARG 65 Ca 0.08 0.18 0.05 0.00 -1.93 0.00 0.00 57.85 56.22 1sro n ARG 65 Cb 0.27 -1.53 0.17 0.00 -1.16 0.00 0.00 32.46 30.22 1sro n ARG 65 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1sro n GLN 66 N -1.56 2.15 -2.36 5.56 1.13 -1.26 -4.87 117.38 116.16 1sro n GLN 66 Ca 0.05 -1.37 -0.20 0.00 -1.94 0.00 0.00 57.00 53.54 1sro n GLN 66 Cb 0.24 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 29.12 1sro n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sro n GLY 67 N 0.85 -0.41 3.81 1.08 0.00 -1.04 -4.96 105.19 104.52 1sro n GLY 67 Ca 0.13 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.97 4.17 -0.53 1.61 1.81 -1.26 -4.94 118.95 114.84 1sro s ARG 68 Ca 0.00 0.70 -0.27 0.00 -1.72 0.00 0.00 55.73 54.44 1sro s ARG 68 Cb 0.00 -3.23 0.03 0.00 -0.45 0.00 0.00 34.95 31.30 1sro s ARG 68 CO 0.00 0.64 1.07 0.42 -0.68 0.00 0.00 175.30 176.75 1sro s ILE 69 N -1.11 4.23 -0.90 1.52 1.01 -1.26 -3.46 121.20 121.24 1sro s ILE 69 Ca 0.29 0.80 -0.19 0.00 0.00 0.00 0.00 60.65 61.55 1sro s ILE 69 Cb -0.19 -4.60 0.13 0.00 0.01 0.00 0.00 42.46 37.81 1sro s ILE 69 CO 0.18 -1.11 1.10 -0.60 0.00 0.00 0.00 174.94 174.51 1sro s ARG 70 N 4.37 3.54 0.45 2.79 6.06 -0.03 -4.52 118.95 131.62 1sro s ARG 70 Ca 0.40 -1.68 -0.03 0.00 -2.50 0.00 0.00 55.73 51.92 1sro s ARG 70 Cb -0.09 -4.84 -0.03 0.00 0.06 0.00 0.00 34.95 30.06 1sro s ARG 70 CO 0.26 -1.77 0.72 -0.51 -2.50 0.00 0.00 175.30 171.50 1sro s LEU 71 N 2.77 3.70 -0.18 -0.88 1.43 -1.26 0.38 118.68 124.64 1sro s LEU 71 Ca 0.31 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1sro s LEU 71 Cb -0.06 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.60 1sro s LEU 71 CO -0.07 -0.57 -0.12 -0.55 0.23 0.00 0.00 176.35 175.27 1sro s SER 72 N -4.12 3.14 0.16 2.29 0.15 0.88 -4.62 113.70 111.57 1sro s SER 72 Ca 0.46 -0.74 -0.33 0.00 0.70 0.00 0.00 55.95 56.04 1sro s SER 72 Cb -0.10 -1.21 -0.16 0.00 -1.71 0.00 0.00 66.02 62.83 1sro s SER 72 CO 0.41 -0.11 1.06 -0.38 1.20 0.00 0.00 173.24 175.42 1sro n ILE 73 N 4.72 0.99 0.16 6.45 -0.00 -1.26 -0.20 119.36 130.21 1sro n ILE 73 Ca -0.16 -0.25 0.03 0.00 -0.00 0.00 0.00 62.75 62.37 1sro n ILE 73 Cb 0.48 -0.64 0.20 0.00 -0.00 0.00 0.00 39.64 39.68 1sro n ILE 73 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1sro h LYS 74 N 2.94 0.00 -0.05 0.38 3.64 -1.49 -2.70 116.57 119.28 1sro h LYS 74 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1sro h LYS 74 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1sro h LYS 74 CO 0.67 0.50 0.00 -1.91 -2.27 0.00 0.00 179.45 176.44 1sro n GLU 75 N -3.48 1.14 0.00 1.90 2.13 -1.26 -5.04 120.64 116.02 1sro n GLU 75 Ca 0.00 -0.22 0.15 0.00 0.66 0.00 0.00 57.16 57.75 1sro n GLU 75 Cb 0.62 -1.14 0.88 0.00 0.27 0.00 0.00 31.44 32.06 1sro n GLU 75 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72