#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 -0.91 -0.66 0.00 -0.00 -1.26 -5.14 120.64 112.67 1sro n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1sro n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1sro n GLU 2 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1sro n ILE 3 N 0.83 0.00 -3.91 3.84 -0.00 -1.26 -5.12 119.36 113.74 1sro n ILE 3 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 1sro n ILE 3 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 39.54 1sro n ILE 3 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1sro s GLU 4 N 0.02 0.51 0.68 6.28 8.01 -1.26 -5.16 118.70 127.79 1sro s GLU 4 Ca 0.00 -0.59 -0.11 0.00 0.01 0.00 0.00 54.97 54.28 1sro s GLU 4 Cb 0.00 0.21 0.01 0.00 -4.31 0.00 0.00 34.13 30.03 1sro s GLU 4 CO 0.00 -0.12 1.07 0.08 0.01 0.00 0.00 175.26 176.30 1sro s VAL 5 N -1.96 3.68 0.00 2.63 1.01 -1.26 -4.13 120.40 120.37 1sro s VAL 5 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1sro s VAL 5 Cb -0.05 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1sro s VAL 5 CO -0.02 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1sro n GLY 6 N -2.94 0.73 3.80 4.51 0.00 -1.25 -5.07 105.19 104.97 1sro n GLY 6 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1sro n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sro s ARG 7 N -0.77 2.31 -0.04 1.61 0.52 -1.26 -4.94 118.95 116.38 1sro s ARG 7 Ca 0.00 -1.80 -0.09 0.00 -0.52 0.00 0.00 55.73 53.32 1sro s ARG 7 Cb 0.00 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 1sro s ARG 7 CO 0.00 -0.20 0.26 0.08 0.02 0.00 0.00 175.30 175.45 1sro s VAL 8 N -2.59 5.30 -0.11 3.52 1.01 -1.26 -1.71 120.40 124.55 1sro s VAL 8 Ca 0.41 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1sro s VAL 8 Cb 0.01 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1sro s VAL 8 CO 0.23 0.53 -0.22 -0.31 0.00 0.00 0.00 175.10 175.33 1sro s TYR 9 N -1.13 2.50 -0.43 5.22 1.51 -0.17 -4.89 117.35 119.95 1sro s TYR 9 Ca 0.22 -1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 54.97 1sro s TYR 9 Cb -0.14 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1sro s TYR 9 CO 0.10 -0.49 0.44 0.99 -1.11 0.00 0.00 175.55 175.48 1sro s THR 10 N 0.59 5.09 0.10 -0.71 2.01 -1.26 0.30 115.64 121.77 1sro s THR 10 Ca -0.13 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.48 1sro s THR 10 Cb -0.17 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1sro s THR 10 CO 0.04 -0.46 -0.05 -0.83 -0.69 0.00 0.00 174.62 172.63 1sro s GLY 11 N 1.94 1.86 0.49 4.40 0.00 -0.31 -4.74 107.32 110.95 1sro s GLY 11 Ca 0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 1sro s GLY 11 CO 0.13 -1.16 0.76 0.54 0.00 0.00 0.00 173.10 173.36 1sro s LYS 12 N -2.28 3.18 -0.58 2.90 1.02 0.02 -1.58 119.74 122.41 1sro s LYS 12 Ca 0.24 -0.16 -0.22 0.00 0.02 0.00 0.00 55.97 55.84 1sro s LYS 12 Cb -0.11 -2.44 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1sro s LYS 12 CO 0.16 -0.34 0.87 0.08 -0.92 0.00 0.00 175.35 175.21 1sro s VAL 13 N -2.71 4.48 -0.51 3.17 1.01 -0.53 -1.47 120.40 123.84 1sro s VAL 13 Ca 0.49 -0.18 0.14 0.00 0.00 0.00 0.00 61.98 62.43 1sro s VAL 13 Cb -0.10 -4.54 -0.17 0.00 0.00 0.00 0.00 36.38 31.56 1sro s VAL 13 CO 0.42 -1.18 0.53 0.35 0.00 0.00 0.00 175.10 175.22 1sro n THR 14 N 5.94 0.00 -3.50 3.92 -2.24 -1.26 -2.18 114.28 114.97 1sro n THR 14 Ca -0.03 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1sro n THR 14 Cb 0.46 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 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 -2.51 1.12 0.05 -0.78 3.00 -1.18 -5.03 118.95 113.62 1sro s ARG 15 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 55.73 55.70 1sro s ARG 15 Cb 0.10 0.52 -0.04 0.00 0.00 0.00 0.00 34.95 35.54 1sro s ARG 15 CO 0.59 -0.41 -0.03 0.42 0.00 0.00 0.00 175.30 175.87 1sro s ILE 16 N -2.20 0.23 0.05 1.52 1.01 -1.26 -0.39 121.20 120.16 1sro s ILE 16 Ca -0.06 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 58.99 1sro s ILE 16 Cb -0.00 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1sro s ILE 16 CO 0.01 -0.87 -0.05 0.68 0.00 0.00 0.00 174.94 174.70 1sro s VAL 17 N -3.32 0.40 0.23 2.92 -7.23 -0.30 -4.70 120.40 108.40 1sro s VAL 17 Ca 0.02 -1.33 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 1sro s VAL 17 Cb 0.04 -0.88 0.21 0.00 0.56 0.00 0.00 36.38 36.31 1sro s VAL 17 CO -0.08 -0.62 1.89 -0.78 -0.31 0.00 0.00 175.10 175.20 1sro h ASP 18 N 4.00 1.07 -0.38 4.85 3.58 -2.01 -1.38 116.42 126.16 1sro h ASP 18 Ca -0.34 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 56.94 1sro h ASP 18 Cb 1.19 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.90 1sro h ASP 18 CO 0.50 0.82 0.14 2.22 -2.88 0.00 0.00 179.24 180.03 1sro n PHE 19 N -4.40 1.26 -1.11 0.28 1.16 -1.26 -4.73 117.46 108.66 1sro n PHE 19 Ca 0.10 -0.70 0.00 0.00 -1.87 0.00 0.00 57.45 54.97 1sro n PHE 19 Cb 0.05 -0.43 0.00 0.00 -1.61 0.00 0.00 39.48 37.49 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 0.05 -0.22 3.24 4.97 0.00 -0.52 -3.24 105.19 109.47 1sro n GLY 20 Ca 0.21 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.83 0.01 4.61 0.00 0.14 -1.15 121.76 123.53 1sro s ALA 21 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1sro s ALA 21 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1sro s ALA 21 CO 0.00 -0.22 0.00 -0.06 0.00 0.00 0.00 175.76 175.49 1sro s PHE 22 N -0.62 3.08 0.23 0.00 0.40 0.48 0.10 117.98 121.64 1sro s PHE 22 Ca -0.07 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1sro s PHE 22 Cb -0.04 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 1sro s PHE 22 CO 0.03 0.47 0.05 0.08 0.70 0.00 0.00 175.22 176.54 1sro s VAL 23 N -1.11 0.74 -0.02 -0.44 1.01 -0.09 -3.11 120.40 117.38 1sro s VAL 23 Ca 0.20 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.19 1sro s VAL 23 Cb -0.12 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1sro s VAL 23 CO 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 175.10 174.98 1sro s ALA 24 N -3.62 0.40 -0.54 5.51 0.00 -0.54 0.75 121.76 123.71 1sro s ALA 24 Ca 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 1sro s ALA 24 Cb 0.07 -0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.12 1sro s ALA 24 CO 0.10 0.03 0.34 0.96 0.00 0.00 0.00 175.76 177.19 1sro s ILE 25 N 0.40 3.48 -0.24 0.00 -4.36 -0.32 -0.80 121.20 119.35 1sro s ILE 25 Ca -0.04 -2.67 -0.40 0.00 -0.26 0.00 0.00 60.65 57.28 1sro s ILE 25 Cb -0.07 -3.32 -0.16 0.00 1.25 0.00 0.00 42.46 40.16 1sro s ILE 25 CO -0.01 -0.81 1.70 0.61 0.24 0.00 0.00 174.94 176.67 1sro n GLY 26 N 3.85 0.80 0.00 6.27 0.00 -1.26 -3.32 105.19 111.52 1sro n GLY 26 Ca 0.04 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 4.00 0.80 0.00 -0.02 0.00 -1.26 -4.90 105.19 103.81 1sro n GLY 27 Ca 0.26 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.32 0.00 -0.02 0.00 -1.25 -4.99 105.19 102.25 1sro n GLY 28 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1sro n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sro n LYS 29 N 0.00 0.00 -4.18 1.61 4.76 -1.21 -5.09 118.16 114.04 1sro n LYS 29 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1sro n LYS 29 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1sro n LYS 29 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1sro s GLU 30 N -1.21 2.32 0.35 1.97 -1.05 -1.26 -1.17 118.70 118.64 1sro s GLU 30 Ca 0.00 -0.96 0.04 0.00 -0.15 0.00 0.00 54.97 53.90 1sro s GLU 30 Cb 0.00 -2.40 0.06 0.00 -0.44 0.00 0.00 34.13 31.35 1sro s GLU 30 CO 0.00 0.51 0.48 0.41 0.95 0.00 0.00 175.26 177.61 1sro n GLY 31 N 0.56 1.61 3.22 -3.83 0.00 0.23 -4.69 105.19 102.29 1sro n GLY 31 Ca -0.12 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.52 -1.19 0.99 2.96 -1.26 -0.91 118.68 118.75 1sro s LEU 32 Ca 0.35 0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 55.13 1sro s LEU 32 Cb -0.03 1.23 0.22 0.00 0.50 0.00 0.00 46.19 48.11 1sro s LEU 32 CO 0.22 -0.23 2.05 0.52 -1.32 0.00 0.00 176.35 177.60 1sro n VAL 33 N 5.27 5.51 -1.30 1.68 0.31 0.29 -4.72 118.33 125.36 1sro n VAL 33 Ca -0.10 -5.10 -0.37 0.00 -0.01 0.00 0.00 64.34 58.77 1sro n VAL 33 Cb 0.50 -1.90 0.06 0.00 -0.91 0.00 0.00 33.84 31.58 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 1.21 -1.07 -0.23 3.52 -0.00 -1.05 0.26 115.22 117.85 1sro n HIS 34 Ca 0.51 0.36 0.02 0.00 0.46 0.00 0.00 57.72 59.08 1sro n HIS 34 Cb 0.27 -1.89 0.10 0.00 -0.12 0.00 0.00 29.99 28.35 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 -0.22 0.36 -0.08 3.57 2.10 -1.80 0.19 117.51 121.63 1sro h ILE 35 Ca -0.45 -0.02 -0.06 0.00 1.08 0.00 0.00 64.86 65.41 1sro h ILE 35 Cb 1.37 0.31 -0.03 0.00 -1.09 0.00 0.00 36.82 37.38 1sro h ILE 35 CO 0.43 0.01 0.06 -0.24 -1.08 0.00 0.00 178.15 177.32 1sro n SER 36 N -5.39 5.54 -1.58 2.19 2.88 -1.26 -3.67 113.62 112.31 1sro n SER 36 Ca 0.10 -2.52 -0.00 0.00 -1.33 0.00 0.00 58.87 55.11 1sro n SER 36 Cb 0.39 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 1.35 0.30 0.00 -1.46 1.13 0.68 -5.04 117.38 114.34 1sro n GLN 37 Ca 0.07 -1.80 0.00 0.00 -1.94 0.00 0.00 57.00 53.33 1sro n GLN 37 Cb 0.53 0.01 0.00 0.00 0.11 0.00 0.00 30.24 30.88 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 0.06 0.00 -3.44 5.09 -0.00 -1.24 -3.75 119.36 116.08 1sro n ILE 38 Ca -0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.46 1sro n ILE 38 Cb 0.95 -0.03 0.03 0.00 -0.00 0.00 0.00 39.64 40.59 1sro n ILE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1sro s ALA 39 N -2.88 4.61 0.20 -1.39 0.00 -1.23 -3.33 121.76 117.74 1sro s ALA 39 Ca 0.00 -1.72 -0.21 0.00 0.00 0.00 0.00 51.96 50.02 1sro s ALA 39 Cb 0.00 -1.11 0.14 0.00 0.00 0.00 0.00 23.12 22.15 1sro s ALA 39 CO 0.00 -0.70 1.56 0.22 0.00 0.00 0.00 175.76 176.84 1sro h ASP 40 N 0.41 -1.46 -3.65 0.00 3.58 -1.87 -3.40 116.42 110.03 1sro h ASP 40 Ca -0.32 0.28 -0.45 0.00 0.42 0.00 0.00 57.03 56.96 1sro h ASP 40 Cb 1.30 0.72 0.18 0.00 1.72 0.00 0.00 39.33 43.25 1sro h ASP 40 CO 0.48 -0.30 0.13 -1.59 -2.88 0.00 0.00 179.24 175.08 1sro s LYS 41 N -5.89 -0.08 0.00 0.28 -2.85 -1.26 -4.89 119.74 105.05 1sro s LYS 41 Ca -0.14 0.66 0.31 0.00 -1.00 0.00 0.00 55.97 55.79 1sro s LYS 41 Cb 0.17 -1.67 1.67 0.00 -2.06 0.00 0.00 37.83 35.95 1sro s LYS 41 CO 0.69 -3.11 2.11 0.54 0.10 0.00 0.00 175.35 175.68 1sro n ARG 42 N -4.46 0.68 -2.60 1.78 5.12 -1.26 -4.72 116.66 111.19 1sro n ARG 42 Ca 0.04 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.92 1sro n ARG 42 Cb 0.56 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.37 1sro n ARG 42 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sro n VAL 43 N -1.16 -9.84 0.17 1.55 0.31 -1.26 -4.42 118.33 103.70 1sro n VAL 43 Ca 0.18 0.94 0.16 0.00 -0.01 0.00 0.00 64.34 65.62 1sro n VAL 43 Cb 0.18 -6.71 0.60 0.00 -0.91 0.00 0.00 33.84 27.00 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 1.88 0.00 -4.02 5.55 4.81 -1.95 -3.33 114.58 117.53 1sro h GLU 44 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 1sro h GLU 44 Cb 0.65 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 29.64 1sro h GLU 44 CO 0.15 0.00 -0.78 0.15 -0.73 0.00 0.00 179.01 177.80 1sro s LYS 45 N -4.30 1.23 0.30 1.92 -0.14 -1.26 -4.98 119.74 112.52 1sro s LYS 45 Ca -0.03 -0.56 0.16 0.00 -1.36 0.00 0.00 55.97 54.18 1sro s LYS 45 Cb 0.10 -2.10 0.30 0.00 -1.68 0.00 0.00 37.83 34.45 1sro s LYS 45 CO 0.34 -0.51 1.55 -0.39 -0.76 0.00 0.00 175.35 175.58 1sro h VAL 46 N 6.47 0.97 0.00 3.17 -1.51 -1.84 -2.77 116.25 120.74 1sro h VAL 46 Ca -0.21 -2.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 1sro h VAL 46 Cb 1.11 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.53 1sro h VAL 46 CO 0.38 0.49 0.00 0.35 -1.23 0.00 0.00 177.57 177.56 1sro n THR 47 N -3.37 0.00 -0.08 7.19 -2.24 -1.26 -1.54 114.28 112.98 1sro n THR 47 Ca 0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.71 1sro n THR 47 Cb 0.66 -0.40 -0.13 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 -0.81 1.01 -0.03 3.42 8.00 -1.05 -4.48 116.55 122.61 1sro n ASP 48 Ca 0.12 -0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.52 1sro n ASP 48 Cb 0.06 0.87 -0.14 0.00 -0.02 0.00 0.00 41.12 41.89 1sro n ASP 48 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sro n TYR 49 N -2.62 0.93 -4.15 1.24 4.02 -1.11 -4.90 117.16 110.57 1sro n TYR 49 Ca -0.27 0.31 -0.26 0.00 -0.01 0.00 0.00 57.90 57.67 1sro n TYR 49 Cb 1.03 -1.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.12 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 -6.18 3.57 -0.02 7.72 1.43 -0.59 -5.12 118.68 119.48 1sro s LEU 50 Ca -0.08 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1sro s LEU 50 Cb 0.08 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1sro s LEU 50 CO 0.81 0.07 0.06 -1.58 0.23 0.00 0.00 176.35 175.94 1sro s GLN 51 N -3.09 0.06 -0.19 1.70 2.00 -1.26 -4.59 119.66 114.29 1sro s GLN 51 Ca 0.29 0.11 -0.29 0.00 -2.00 0.00 0.00 55.36 53.48 1sro s GLN 51 Cb -0.09 -0.01 -0.05 0.00 0.80 0.00 0.00 33.01 33.66 1sro s GLN 51 CO 0.21 -0.03 1.99 -1.64 -0.50 0.00 0.00 175.29 175.32 1sro s MET 52 N 0.20 3.48 0.00 1.67 -1.94 -1.26 -1.40 119.30 120.05 1sro s MET 52 Ca -0.01 1.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.93 1sro s MET 52 Cb -0.02 -4.24 0.00 0.00 2.01 0.00 0.00 34.83 32.58 1sro s MET 52 CO -0.01 -1.70 0.00 0.41 -0.01 0.00 0.00 175.02 173.72 1sro n GLY 53 N 5.27 2.69 3.73 -0.03 0.00 -0.92 -5.00 105.19 110.93 1sro n GLY 53 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.43 1.63 -0.02 1.61 -0.21 -0.49 -4.67 119.66 117.08 1sro s GLN 54 Ca 0.00 1.02 0.04 0.00 0.02 0.00 0.00 55.36 56.45 1sro s GLN 54 Cb 0.00 -1.84 -0.03 0.00 1.00 0.00 0.00 33.01 32.15 1sro s GLN 54 CO 0.00 -2.04 -0.14 -1.21 -2.12 0.00 0.00 175.29 169.77 1sro s GLU 55 N -4.89 2.39 -0.07 2.91 2.02 -1.26 -1.46 118.70 118.34 1sro s GLU 55 Ca 0.63 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.81 1sro s GLU 55 Cb -0.18 -2.34 0.04 0.00 0.10 0.00 0.00 34.13 31.75 1sro s GLU 55 CO 0.57 0.60 0.16 0.14 0.02 0.00 0.00 175.26 176.75 1sro s VAL 56 N -0.81 -0.04 0.50 2.63 -7.23 -0.61 -5.00 120.40 109.83 1sro s VAL 56 Ca 0.13 0.16 -0.16 0.00 -1.81 0.00 0.00 61.98 60.29 1sro s VAL 56 Cb -0.11 -0.26 -0.08 0.00 0.56 0.00 0.00 36.38 36.49 1sro s VAL 56 CO 0.03 0.06 0.96 -2.16 -0.31 0.00 0.00 175.10 173.68 1sro s PRO 57 N 1.08 3.95 0.00 4.82 0.04 -1.26 -1.17 135.00 142.46 1sro s PRO 57 Ca -0.08 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1sro s PRO 57 Cb -0.10 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1sro s PRO 57 CO -0.06 -0.23 0.00 1.33 0.04 0.00 0.00 177.00 178.08 1sro n VAL 58 N -1.48 0.00 -4.17 -0.36 0.24 0.15 -1.55 118.33 111.16 1sro n VAL 58 Ca 0.06 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.20 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 -1.92 0.48 -1.13 7.34 3.01 0.12 -1.00 119.74 126.63 1sro s LYS 59 Ca 0.00 -0.18 -0.22 0.00 -1.01 0.00 0.00 55.97 54.56 1sro s LYS 59 Cb 0.00 -0.48 -0.03 0.00 -1.01 0.00 0.00 37.83 36.31 1sro s LYS 59 CO 0.00 0.09 1.84 0.08 0.51 0.00 0.00 175.35 177.87 1sro s VAL 60 N 0.02 3.69 0.54 3.17 1.01 -0.70 -0.44 120.40 127.70 1sro s VAL 60 Ca 0.00 -1.01 0.21 0.00 0.00 0.00 0.00 61.98 61.18 1sro s VAL 60 Cb -0.04 -4.65 0.31 0.00 0.00 0.00 0.00 36.38 32.01 1sro s VAL 60 CO -0.00 -1.32 2.15 0.25 0.00 0.00 0.00 175.10 176.18 1sro h LEU 61 N 16.08 0.00 0.00 3.92 5.85 -0.42 -3.34 115.31 137.40 1sro h LEU 61 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1sro h LEU 61 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1sro h LEU 61 CO 1.30 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 178.78 1sro n GLU 62 N -4.30 0.00 0.00 1.25 -0.58 -1.09 -4.99 120.64 110.93 1sro n GLU 62 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1sro n GLU 62 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 1sro n GLU 62 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sro n VAL 63 N -0.71 0.00 -0.26 2.62 0.31 -1.26 -1.05 118.33 117.97 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 -0.19 -0.06 4.52 5.68 -1.26 -1.06 116.55 124.18 1sro n ASP 64 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 1sro n ASP 64 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1sro n ASP 64 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1sro h ARG 65 N 0.00 -0.14 -5.03 0.11 2.43 -2.07 -3.14 114.38 106.54 1sro h ARG 65 Ca 0.00 0.01 -0.69 0.00 -0.81 0.00 0.00 59.98 58.49 1sro h ARG 65 Cb 0.00 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 29.41 1sro h ARG 65 CO 0.00 -0.09 0.88 -0.65 -1.51 0.00 0.00 179.97 178.60 1sro s GLN 66 N -4.03 3.63 0.00 0.20 -0.21 -1.20 -4.77 119.66 113.27 1sro s GLN 66 Ca -0.06 -1.80 0.00 0.00 0.02 0.00 0.00 55.36 53.52 1sro s GLN 66 Cb 0.03 -4.94 0.00 0.00 1.00 0.00 0.00 33.01 29.11 1sro s GLN 66 CO 0.24 -1.78 0.00 0.41 -2.12 0.00 0.00 175.29 172.04 1sro n GLY 67 N 5.44 0.24 2.99 3.09 0.00 -0.22 -4.34 105.19 112.39 1sro n GLY 67 Ca 0.25 0.63 -0.43 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 3.48 -3.34 1.61 1.74 -1.26 -4.00 116.66 114.90 1sro n ARG 68 Ca 0.00 -3.48 -0.10 0.00 -0.77 0.00 0.00 57.85 53.49 1sro n ARG 68 Cb 0.00 -3.01 0.01 0.00 -1.02 0.00 0.00 32.46 28.44 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 3.86 -7.74 -2.85 0.55 5.41 -1.26 -4.85 119.36 112.49 1sro n ILE 69 Ca 0.41 -0.26 -0.44 0.00 1.00 0.00 0.00 62.75 63.46 1sro n ILE 69 Cb 0.38 -5.51 0.00 0.00 -0.71 0.00 0.00 39.64 33.80 1sro n ILE 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1sro n ARG 70 N -2.25 3.42 -3.07 0.38 5.12 -0.22 -4.67 116.66 115.38 1sro n ARG 70 Ca -0.11 -3.80 -0.29 0.00 -1.93 0.00 0.00 57.85 51.72 1sro n ARG 70 Cb 0.57 -3.01 -0.03 0.00 -1.16 0.00 0.00 32.46 28.83 1sro n ARG 70 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1sro s LEU 71 N 1.22 3.92 -0.14 0.55 1.43 -1.26 0.34 118.68 124.74 1sro s LEU 71 Ca 0.42 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1sro s LEU 71 Cb -0.01 -3.78 0.03 0.00 0.03 0.00 0.00 46.19 42.47 1sro s LEU 71 CO 0.00 -0.32 -0.07 -0.44 0.23 0.00 0.00 176.35 175.76 1sro s SER 72 N -3.24 2.53 0.22 2.29 0.01 0.41 -4.79 113.70 111.14 1sro s SER 72 Ca 0.47 -0.49 -0.32 0.00 1.31 0.00 0.00 55.95 56.92 1sro s SER 72 Cb -0.10 -0.89 -0.13 0.00 0.21 0.00 0.00 66.02 65.11 1sro s SER 72 CO 0.32 -0.15 1.51 -0.38 0.41 0.00 0.00 173.24 174.95 1sro n ILE 73 N 4.90 0.61 -0.50 1.44 5.41 -1.25 0.11 119.36 130.09 1sro n ILE 73 Ca -0.12 -0.15 0.41 0.00 1.00 0.00 0.00 62.75 63.89 1sro n ILE 73 Cb 0.49 -1.61 0.72 0.00 -0.71 0.00 0.00 39.64 38.54 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 5.00 0.06 -1.57 0.38 1.63 -1.57 0.96 116.57 121.46 1sro h LYS 74 Ca -0.45 -0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 58.99 1sro h LYS 74 Cb 1.26 -0.01 -0.15 0.00 -0.60 0.00 0.00 32.23 32.72 1sro h LYS 74 CO 0.82 0.04 0.43 0.39 -3.45 0.00 0.00 179.45 177.67 1sro n GLU 75 N -4.31 1.91 0.00 1.90 1.02 -1.26 -5.08 120.64 114.82 1sro n GLU 75 Ca 0.36 -1.72 0.01 0.00 -0.02 0.00 0.00 57.16 55.79 1sro n GLU 75 Cb 1.55 -1.71 0.01 0.00 -0.02 0.00 0.00 31.44 31.27 1sro n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31