#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 4.10 1.05 0.00 2.12 -1.26 -5.02 118.70 119.70 1sro s GLU 2 Ca 0.00 -2.71 -0.24 0.00 0.36 0.00 0.00 54.97 52.38 1sro s GLU 2 Cb 0.00 -4.94 -0.07 0.00 0.26 0.00 0.00 34.13 29.38 1sro s GLU 2 CO 0.00 -1.64 -0.89 1.51 -0.54 0.00 0.00 175.26 173.70 1sro n ILE 3 N 4.19 0.00 -5.02 -3.70 0.00 -1.26 -4.98 119.36 108.60 1sro n ILE 3 Ca 0.33 -0.13 -0.27 0.00 0.00 0.00 0.00 62.75 62.67 1sro n ILE 3 Cb 0.42 -0.26 -0.16 0.00 0.00 0.00 0.00 39.64 39.65 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 -2.62 1.70 0.95 9.51 2.12 -1.26 -5.13 118.70 123.97 1sro s GLU 4 Ca 0.45 -0.77 -0.12 0.00 0.36 0.00 0.00 54.97 54.89 1sro s GLU 4 Cb 0.01 -1.65 0.16 0.00 0.26 0.00 0.00 34.13 32.90 1sro s GLU 4 CO 0.66 0.45 1.09 0.08 -0.54 0.00 0.00 175.26 177.00 1sro s VAL 5 N -0.52 2.46 0.00 3.70 1.01 -1.26 -2.98 120.40 122.81 1sro s VAL 5 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1sro s VAL 5 Cb -0.08 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1sro s VAL 5 CO -0.01 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1sro n GLY 6 N -0.68 0.72 3.91 4.51 0.00 -1.15 -4.99 105.19 107.50 1sro n GLY 6 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.26 2.02 -0.28 1.61 3.52 -1.16 -4.78 118.95 119.62 1sro s ARG 7 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.51 1sro s ARG 7 Cb 0.00 -2.02 0.00 0.00 -1.56 0.00 0.00 34.95 31.37 1sro s ARG 7 CO 0.00 -1.49 0.07 0.08 -0.81 0.00 0.00 175.30 173.14 1sro s VAL 8 N -3.47 3.93 0.00 7.11 1.01 -1.26 -1.50 120.40 126.22 1sro s VAL 8 Ca 0.62 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1sro s VAL 8 Cb -0.11 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1sro s VAL 8 CO 0.48 0.14 0.00 -1.22 0.00 0.00 0.00 175.10 174.50 1sro n TYR 9 N 4.86 -2.96 -3.53 5.22 4.02 0.96 -4.83 117.16 120.91 1sro n TYR 9 Ca -0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.65 1sro n TYR 9 Cb 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.71 1sro n TYR 9 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1sro s THR 10 N 0.34 -0.62 0.11 -0.72 2.01 -1.26 -1.42 115.64 114.08 1sro s THR 10 Ca 0.00 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.14 1sro s THR 10 Cb 0.00 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1sro s THR 10 CO 0.00 -0.00 -0.15 -0.83 -0.69 0.00 0.00 174.62 172.95 1sro s GLY 11 N 2.57 1.04 0.50 4.40 0.00 -0.60 -4.55 107.32 110.70 1sro s GLY 11 Ca 0.05 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1sro s GLY 11 CO -0.14 -1.25 0.72 0.54 0.00 0.00 0.00 173.10 172.97 1sro s LYS 12 N -2.32 2.77 -0.53 2.90 3.01 0.93 -1.51 119.74 124.99 1sro s LYS 12 Ca 0.06 -0.69 -0.23 0.00 -1.01 0.00 0.00 55.97 54.10 1sro s LYS 12 Cb -0.07 -2.53 0.04 0.00 -1.01 0.00 0.00 37.83 34.26 1sro s LYS 12 CO 0.03 -0.51 0.85 0.08 0.51 0.00 0.00 175.35 176.31 1sro s VAL 13 N -2.66 4.53 -1.05 3.17 1.01 -0.62 -1.55 120.40 123.24 1sro s VAL 13 Ca 0.53 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.75 1sro s VAL 13 Cb -0.10 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1sro s VAL 13 CO 0.38 -0.99 0.70 0.35 0.00 0.00 0.00 175.10 175.53 1sro n THR 14 N 6.06 0.00 -3.61 3.92 -2.24 -1.26 -2.52 114.28 114.64 1sro n THR 14 Ca -0.00 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.29 1sro n THR 14 Cb 0.47 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.81 1sro n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sro s ARG 15 N -1.22 0.35 0.11 -0.78 3.03 -1.25 -5.00 118.95 114.19 1sro s ARG 15 Ca 0.10 0.07 0.01 0.00 2.03 0.00 0.00 55.73 57.93 1sro s ARG 15 Cb 0.08 0.17 -0.04 0.00 -1.03 0.00 0.00 34.95 34.13 1sro s ARG 15 CO 0.22 -0.11 -0.03 0.42 -1.13 0.00 0.00 175.30 174.66 1sro s ILE 16 N -1.17 0.55 0.04 4.99 1.01 -1.26 -0.39 121.20 124.97 1sro s ILE 16 Ca 0.04 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.77 1sro s ILE 16 Cb -0.01 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1sro s ILE 16 CO -0.03 -0.78 -0.04 0.68 0.00 0.00 0.00 174.94 174.77 1sro s VAL 17 N -3.72 0.30 0.20 2.92 -7.23 -0.30 -4.70 120.40 107.87 1sro s VAL 17 Ca 0.15 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 1sro s VAL 17 Cb 0.06 -0.84 0.13 0.00 0.56 0.00 0.00 36.38 36.29 1sro s VAL 17 CO -0.03 -0.65 1.84 0.44 -0.31 0.00 0.00 175.10 176.38 1sro h ASP 18 N 4.01 0.67 -0.46 4.85 5.19 -2.01 -1.31 116.42 127.36 1sro h ASP 18 Ca -0.34 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.87 1sro h ASP 18 Cb 1.18 -0.14 -0.12 0.00 0.18 0.00 0.00 39.33 40.43 1sro h ASP 18 CO 0.50 0.46 0.26 2.22 -3.12 0.00 0.00 179.24 179.57 1sro n PHE 19 N -4.70 1.44 -1.01 4.55 1.16 -1.26 -4.74 117.46 112.91 1sro n PHE 19 Ca 0.07 -1.00 0.00 0.00 -1.87 0.00 0.00 57.45 54.64 1sro n PHE 19 Cb 0.09 -0.54 0.00 0.00 -1.61 0.00 0.00 39.48 37.42 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 -0.07 3.30 4.97 0.00 -0.49 -3.16 105.19 109.54 1sro n GLY 20 Ca 0.27 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.00 0.26 4.61 0.00 0.17 -1.15 121.76 123.64 1sro s ALA 21 Ca 0.00 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.72 1sro s ALA 21 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1sro s ALA 21 CO 0.00 -0.26 0.13 -0.06 0.00 0.00 0.00 175.76 175.57 1sro s PHE 22 N -0.95 2.97 0.20 0.00 0.40 0.48 0.12 117.98 121.19 1sro s PHE 22 Ca -0.10 -0.15 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 1sro s PHE 22 Cb -0.04 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1sro s PHE 22 CO 0.04 0.55 0.39 0.08 0.70 0.00 0.00 175.22 176.98 1sro s VAL 23 N -2.20 0.04 0.03 -0.44 1.01 -0.05 -3.82 120.40 114.96 1sro s VAL 23 Ca 0.33 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1sro s VAL 23 Cb -0.07 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1sro s VAL 23 CO 0.23 -0.16 -0.13 0.00 0.00 0.00 0.00 175.10 175.04 1sro s ALA 24 N -3.97 1.06 -0.45 5.51 0.00 -0.60 0.61 121.76 123.93 1sro s ALA 24 Ca 0.17 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1sro s ALA 24 Cb 0.01 -0.17 0.43 0.00 0.00 0.00 0.00 23.12 23.40 1sro s ALA 24 CO 0.02 0.20 1.32 0.44 0.00 0.00 0.00 175.76 177.74 1sro n ILE 25 N 2.04 2.67 0.00 0.00 -5.35 -0.52 -0.05 119.36 118.16 1sro n ILE 25 Ca -0.18 -4.42 0.00 0.00 -0.27 0.00 0.00 62.75 57.88 1sro n ILE 25 Cb 0.55 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 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 -0.61 0.61 2.68 3.28 0.00 -1.25 -4.66 105.19 105.25 1sro n GLY 26 Ca 0.45 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 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 5.75 1.37 -0.02 0.00 -1.26 -4.54 105.19 106.50 1sro n GLY 27 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.57 -0.42 3.36 -0.02 0.00 -1.26 -5.13 105.19 101.15 1sro n GLY 28 Ca 0.50 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.69 1.38 0.14 1.61 -0.14 -1.26 -5.08 119.74 114.70 1sro s LYS 29 Ca 0.00 -1.27 0.09 0.00 -1.36 0.00 0.00 55.97 53.42 1sro s LYS 29 Cb 0.00 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.32 1sro s LYS 29 CO 0.00 0.43 -0.20 -1.83 -0.76 0.00 0.00 175.35 172.99 1sro s GLU 30 N -1.92 1.23 0.39 1.68 -1.05 -1.26 -1.43 118.70 116.34 1sro s GLU 30 Ca 0.12 -1.31 0.06 0.00 -0.15 0.00 0.00 54.97 53.69 1sro s GLU 30 Cb -0.10 -1.42 0.06 0.00 -0.44 0.00 0.00 34.13 32.24 1sro s GLU 30 CO 0.05 0.31 0.52 0.41 0.95 0.00 0.00 175.26 177.50 1sro n GLY 31 N 0.65 2.02 3.18 -3.83 0.00 0.20 -4.71 105.19 102.69 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 -0.47 -1.15 0.99 2.96 -1.26 -0.88 118.68 118.88 1sro s LEU 32 Ca 0.40 0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 55.11 1sro s LEU 32 Cb -0.03 1.12 0.25 0.00 0.50 0.00 0.00 46.19 48.03 1sro s LEU 32 CO 0.25 -0.23 1.92 0.52 -1.32 0.00 0.00 176.35 177.49 1sro n VAL 33 N 5.28 5.54 -1.06 1.68 0.31 0.32 -4.53 118.33 125.87 1sro n VAL 33 Ca -0.09 -5.36 -0.35 0.00 -0.01 0.00 0.00 64.34 58.53 1sro n VAL 33 Cb 0.50 -1.88 0.09 0.00 -0.91 0.00 0.00 33.84 31.63 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 1.12 -1.48 -0.24 3.52 -0.00 -0.99 0.42 115.22 117.58 1sro n HIS 34 Ca 0.46 0.27 0.02 0.00 0.46 0.00 0.00 57.72 58.94 1sro n HIS 34 Cb 0.28 -1.82 0.11 0.00 -0.12 0.00 0.00 29.99 28.44 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 -0.88 0.34 -0.08 3.57 6.09 -1.79 0.27 117.51 125.03 1sro h ILE 35 Ca -0.44 -0.02 -0.06 0.00 -1.37 0.00 0.00 64.86 62.97 1sro h ILE 35 Cb 1.32 0.29 -0.03 0.00 0.47 0.00 0.00 36.82 38.88 1sro h ILE 35 CO 0.38 0.01 0.06 -1.54 -3.07 0.00 0.00 178.15 173.98 1sro n SER 36 N -5.40 5.53 -1.37 2.19 3.41 -1.26 -3.72 113.62 113.00 1sro n SER 36 Ca 0.11 -2.52 -0.01 0.00 -0.26 0.00 0.00 58.87 56.18 1sro n SER 36 Cb 0.40 -1.13 -0.01 0.00 -0.26 0.00 0.00 64.21 63.21 1sro n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sro n GLN 37 N 1.34 0.10 0.00 4.33 6.02 0.95 -5.03 117.38 125.09 1sro n GLN 37 Ca 0.07 -1.61 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 1sro n GLN 37 Cb 0.53 0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.95 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 0.19 0.00 -1.53 5.09 -0.00 -1.24 -2.93 119.36 118.94 1sro n ILE 38 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1sro n ILE 38 Cb 0.94 -0.14 0.00 0.00 -0.00 0.00 0.00 39.64 40.44 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 -0.15 -1.39 0.00 -1.26 -4.13 120.51 110.57 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.45 0.00 0.00 3.32 -1.97 -3.45 116.42 112.88 1sro h ASP 40 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1sro h ASP 40 Cb 0.00 0.64 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1sro h ASP 40 CO 0.00 -0.36 0.00 1.17 -1.72 0.00 0.00 179.24 178.33 1sro n LYS 41 N -5.41 0.00 -0.60 3.56 4.81 -1.26 -5.01 118.16 114.26 1sro n LYS 41 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1sro n LYS 41 Cb 0.35 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.38 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 1.19 -1.95 1.64 1.74 -1.26 -4.41 116.66 113.61 1sro n ARG 42 Ca 0.00 -0.25 -0.35 0.00 -0.77 0.00 0.00 57.85 56.48 1sro n ARG 42 Cb 0.00 -1.17 0.04 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.54 3.24 -0.24 1.55 0.31 -1.26 -4.73 118.33 118.75 1sro n VAL 43 Ca 0.08 -4.20 0.32 0.00 -0.01 0.00 0.00 64.34 60.52 1sro n VAL 43 Cb 0.56 -1.23 0.65 0.00 -0.91 0.00 0.00 33.84 32.92 1sro n VAL 43 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1sro h GLU 44 N 2.67 0.00 -4.87 5.55 4.57 -1.95 -3.26 114.58 117.28 1sro h GLU 44 Ca 0.50 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 58.00 1sro h GLU 44 Cb 0.48 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 28.74 1sro h GLU 44 CO 1.28 0.00 -0.74 0.15 -1.18 0.00 0.00 179.01 178.52 1sro s LYS 45 N -4.67 2.68 0.37 1.92 3.01 -1.26 -4.96 119.74 116.84 1sro s LYS 45 Ca -0.04 -1.08 0.19 0.00 -1.01 0.00 0.00 55.97 54.03 1sro s LYS 45 Cb 0.19 -3.03 0.61 0.00 -1.01 0.00 0.00 37.83 34.58 1sro s LYS 45 CO 0.64 -0.47 1.69 -0.39 0.51 0.00 0.00 175.35 177.33 1sro h VAL 46 N 6.27 0.80 0.00 3.17 -1.51 -1.84 -2.41 116.25 120.74 1sro h VAL 46 Ca -0.29 -1.57 0.00 0.00 -1.23 0.00 0.00 66.70 63.61 1sro h VAL 46 Cb 1.09 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1sro h VAL 46 CO 0.56 0.36 0.00 0.35 -1.23 0.00 0.00 177.57 177.60 1sro n THR 47 N -3.43 0.00 -0.10 7.19 -2.24 -1.26 -1.57 114.28 112.87 1sro n THR 47 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1sro n THR 47 Cb 0.54 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.71 0.81 -0.01 3.42 9.92 -0.91 -4.48 116.55 124.59 1sro n ASP 48 Ca 0.09 -0.04 -0.17 0.00 -0.53 0.00 0.00 54.79 54.15 1sro n ASP 48 Cb 0.04 0.60 -0.14 0.00 -0.64 0.00 0.00 41.12 40.98 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 -2.84 1.15 -4.00 1.24 4.02 -1.13 -4.92 117.16 110.68 1sro n TYR 49 Ca -0.34 0.30 -0.23 0.00 -0.01 0.00 0.00 57.90 57.61 1sro n TYR 49 Cb 1.07 -1.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.19 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 -6.67 4.18 -0.15 7.72 1.02 -0.61 -5.11 118.68 119.07 1sro s LEU 50 Ca -0.16 0.02 -0.07 0.00 0.02 0.00 0.00 54.13 53.94 1sro s LEU 50 Cb 0.07 -2.74 0.06 0.00 0.02 0.00 0.00 46.19 43.60 1sro s LEU 50 CO 0.79 -0.01 0.34 -1.58 0.02 0.00 0.00 176.35 175.90 1sro s GLN 51 N -3.65 0.29 -0.18 1.70 2.00 -1.26 -4.60 119.66 113.96 1sro s GLN 51 Ca 0.34 0.73 -0.29 0.00 -2.00 0.00 0.00 55.36 54.14 1sro s GLN 51 Cb -0.09 -0.02 -0.06 0.00 0.80 0.00 0.00 33.01 33.64 1sro s GLN 51 CO 0.28 -0.19 2.18 -1.33 -0.50 0.00 0.00 175.29 175.73 1sro n MET 52 N 4.52 2.10 0.00 1.67 2.81 -1.26 -1.66 117.12 125.30 1sro n MET 52 Ca -0.20 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1sro n MET 52 Cb 0.53 -3.18 0.00 0.00 -0.71 0.00 0.00 33.22 29.86 1sro n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sro n GLY 53 N 5.58 1.24 3.77 3.03 0.00 -1.05 -5.01 105.19 112.75 1sro n GLY 53 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.14 -0.03 1.61 -0.21 -0.66 -4.76 119.66 115.47 1sro s GLN 54 Ca 0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 55.36 55.19 1sro s GLN 54 Cb 0.00 -1.73 0.03 0.00 1.00 0.00 0.00 33.01 32.30 1sro s GLN 54 CO 0.00 -2.97 0.03 -1.21 -2.12 0.00 0.00 175.29 169.02 1sro s GLU 55 N -5.61 0.08 0.01 2.91 2.02 -1.26 -1.58 118.70 115.27 1sro s GLU 55 Ca 0.72 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.92 1sro s GLU 55 Cb -0.08 -0.43 -0.01 0.00 0.10 0.00 0.00 34.13 33.71 1sro s GLU 55 CO 0.54 -0.21 -0.04 0.14 0.02 0.00 0.00 175.26 175.71 1sro s VAL 56 N 1.42 0.26 0.46 2.63 -7.23 -0.57 -4.99 120.40 112.38 1sro s VAL 56 Ca -0.04 -0.55 -0.16 0.00 -1.81 0.00 0.00 61.98 59.41 1sro s VAL 56 Cb -0.13 -0.31 -0.08 0.00 0.56 0.00 0.00 36.38 36.42 1sro s VAL 56 CO -0.03 -0.19 0.91 -2.16 -0.31 0.00 0.00 175.10 173.32 1sro s PRO 57 N -0.79 3.98 0.00 4.82 0.04 -1.26 -1.55 135.00 140.24 1sro s PRO 57 Ca -0.06 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1sro s PRO 57 Cb -0.05 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1sro s PRO 57 CO -0.00 -0.13 0.00 1.33 0.04 0.00 0.00 177.00 178.24 1sro n VAL 58 N -1.20 0.00 -4.28 -0.36 0.24 -0.51 -1.50 118.33 110.72 1sro n VAL 58 Ca 0.06 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.17 1sro n VAL 58 Cb 0.54 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.66 0.73 -0.94 7.34 1.02 -0.08 -0.02 119.74 126.13 1sro s LYS 59 Ca 0.00 -0.24 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 1sro s LYS 59 Cb 0.00 -0.70 -0.11 0.00 -0.52 0.00 0.00 37.83 36.50 1sro s LYS 59 CO 0.00 0.10 2.11 0.08 -0.92 0.00 0.00 175.35 176.72 1sro s VAL 60 N 0.14 3.26 0.44 3.17 1.01 -0.56 -1.26 120.40 126.60 1sro s VAL 60 Ca -0.02 -0.30 0.15 0.00 0.00 0.00 0.00 61.98 61.81 1sro s VAL 60 Cb -0.07 -3.80 0.33 0.00 0.00 0.00 0.00 36.38 32.85 1sro s VAL 60 CO 0.00 -0.53 1.98 0.25 0.00 0.00 0.00 175.10 176.80 1sro h LEU 61 N 20.01 0.33 0.00 3.92 5.85 -0.35 -3.04 115.31 142.04 1sro h LEU 61 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1sro h LEU 61 Cb 0.99 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1sro h LEU 61 CO 1.12 0.20 0.00 1.21 -0.34 0.00 0.00 178.44 180.63 1sro n GLU 62 N -4.47 0.00 0.05 1.25 4.07 -1.06 -4.87 120.64 115.62 1sro n GLU 62 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1sro n GLU 62 Cb 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.76 1sro n GLU 62 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1sro n VAL 63 N -0.62 0.00 -0.27 6.31 0.31 -1.25 -1.02 118.33 121.79 1sro n VAL 63 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1sro n VAL 63 Cb 0.00 -0.25 0.08 0.00 -0.91 0.00 0.00 33.84 32.76 1sro n VAL 63 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1sro h ASP 64 N 0.00 -0.82 -0.26 4.52 3.04 -1.98 0.61 116.42 121.52 1sro h ASP 64 Ca 0.00 0.24 -0.12 0.00 -3.24 0.00 0.00 57.03 53.91 1sro h ASP 64 Cb 0.00 0.51 -0.01 0.00 -1.04 0.00 0.00 39.33 38.79 1sro h ASP 64 CO 0.00 -0.27 -0.25 0.03 -2.04 0.00 0.00 179.24 176.71 1sro h ARG 65 N -0.02 0.74 -4.17 4.15 2.47 -2.00 -3.40 114.38 112.15 1sro h ARG 65 Ca 0.35 -0.31 -0.57 0.00 -1.26 0.00 0.00 59.98 58.19 1sro h ARG 65 Cb 0.57 -0.03 -0.38 0.00 -1.65 0.00 0.00 29.97 28.48 1sro h ARG 65 CO -0.79 0.92 -0.79 1.14 0.56 0.00 0.00 179.97 181.01 1sro s GLN 66 N -4.55 1.43 0.00 0.04 0.00 0.21 -4.98 119.66 111.81 1sro s GLN 66 Ca -0.09 -0.68 0.11 0.00 -0.00 0.00 0.00 55.36 54.70 1sro s GLN 66 Cb 0.13 -2.24 0.64 0.00 0.00 0.00 0.00 33.01 31.54 1sro s GLN 66 CO 0.83 -0.51 1.20 0.41 0.00 0.00 0.00 175.29 177.22 1sro n GLY 67 N 4.82 -0.72 1.88 2.60 0.00 -0.93 -3.66 105.19 109.19 1sro n GLY 67 Ca -0.12 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1sro n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sro n ARG 68 N -0.73 1.81 -2.67 1.61 1.74 -1.26 -4.92 116.66 112.23 1sro n ARG 68 Ca 0.08 -1.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 1sro n ARG 68 Cb 0.04 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1sro n ARG 68 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1sro n ILE 69 N 0.26 -1.22 -2.95 0.55 5.41 -1.24 -4.76 119.36 115.42 1sro n ILE 69 Ca 0.31 0.19 -0.44 0.00 1.00 0.00 0.00 62.75 63.81 1sro n ILE 69 Cb 0.62 -2.30 -0.00 0.00 -0.71 0.00 0.00 39.64 37.25 1sro n ILE 69 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1sro s ARG 70 N -0.38 4.03 0.09 0.38 6.06 -0.19 -4.52 118.95 124.42 1sro s ARG 70 Ca 0.00 -2.49 -0.13 0.00 -2.50 0.00 0.00 55.73 50.61 1sro s ARG 70 Cb 0.00 -5.03 -0.06 0.00 0.06 0.00 0.00 34.95 29.91 1sro s ARG 70 CO 0.00 -1.76 0.47 -0.51 -2.50 0.00 0.00 175.30 171.00 1sro s LEU 71 N 1.66 4.38 -0.17 -0.88 1.43 -1.26 0.43 118.68 124.27 1sro s LEU 71 Ca 0.41 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1sro s LEU 71 Cb -0.03 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.21 1sro s LEU 71 CO -0.01 0.18 -0.10 -0.44 0.23 0.00 0.00 176.35 176.21 1sro s SER 72 N -1.57 2.94 0.18 2.29 0.01 -0.39 -4.48 113.70 112.67 1sro s SER 72 Ca 0.33 -0.66 -0.31 0.00 1.31 0.00 0.00 55.95 56.62 1sro s SER 72 Cb -0.15 -1.12 -0.17 0.00 0.21 0.00 0.00 66.02 64.79 1sro s SER 72 CO 0.18 -0.12 0.88 0.00 0.41 0.00 0.00 173.24 174.58 1sro n ILE 73 N 4.77 1.38 -0.75 1.44 3.06 -1.15 -0.90 119.36 127.21 1sro n ILE 73 Ca -0.15 -0.35 -0.32 0.00 -2.50 0.00 0.00 62.75 59.43 1sro n ILE 73 Cb 0.48 -0.42 0.13 0.00 0.54 0.00 0.00 39.64 40.37 1sro n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1sro n LYS 74 N 1.23 -1.20 -4.15 9.51 4.76 -0.56 -2.74 118.16 125.02 1sro n LYS 74 Ca 0.16 -0.34 -0.32 0.00 -2.87 0.00 0.00 58.31 54.93 1sro n LYS 74 Cb 0.24 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 1sro n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sro n GLU 75 N -0.64 -3.03 0.00 1.97 4.71 -1.26 -4.85 120.64 117.54 1sro n GLU 75 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 1sro n GLU 75 Cb 0.63 -4.80 0.00 0.00 -1.01 0.00 0.00 31.44 26.26 1sro n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22