#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 0.00 -1.94 0.00 4.71 -1.26 -5.18 120.64 116.97 1sro n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1sro n GLU 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1sro n GLU 2 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1sro n ILE 3 N 0.00 0.00 -3.73 -3.67 -0.00 -1.26 -5.16 119.36 105.54 1sro n ILE 3 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.63 1sro n ILE 3 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 39.53 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 -1.91 0.35 0.99 6.28 2.12 -1.26 -5.15 118.70 120.12 1sro s GLU 4 Ca 0.00 0.59 -0.11 0.00 0.36 0.00 0.00 54.97 55.82 1sro s GLU 4 Cb 0.00 0.04 0.19 0.00 0.26 0.00 0.00 34.13 34.62 1sro s GLU 4 CO 0.00 -0.11 1.11 0.08 -0.54 0.00 0.00 175.26 175.79 1sro s VAL 5 N 0.86 2.08 0.00 3.70 1.01 -1.26 -2.95 120.40 123.84 1sro s VAL 5 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1sro s VAL 5 Cb -0.06 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1sro s VAL 5 CO -0.06 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1sro n GLY 6 N 0.36 0.87 3.92 4.51 0.00 -1.26 -5.01 105.19 108.58 1sro n GLY 6 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 3.25 -0.01 1.61 3.52 -1.15 -4.89 118.95 121.23 1sro s ARG 7 Ca 0.00 -0.88 -0.08 0.00 -0.13 0.00 0.00 55.73 54.64 1sro s ARG 7 Cb 0.00 -2.77 -0.05 0.00 -1.56 0.00 0.00 34.95 30.57 1sro s ARG 7 CO 0.00 0.40 0.28 0.08 -0.81 0.00 0.00 175.30 175.25 1sro s VAL 8 N -2.05 5.27 0.00 7.11 1.01 -1.26 -2.17 120.40 128.31 1sro s VAL 8 Ca 0.34 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1sro s VAL 8 Cb -0.09 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1sro s VAL 8 CO 0.28 0.44 0.00 -1.22 0.00 0.00 0.00 175.10 174.60 1sro n TYR 9 N 1.38 -0.16 -3.61 5.22 4.02 -0.30 -4.91 117.16 118.80 1sro n TYR 9 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.73 1sro n TYR 9 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 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 -0.52 -0.15 0.29 -0.72 2.01 -1.26 -1.16 115.64 114.13 1sro s THR 10 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1sro s THR 10 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1sro s THR 10 CO 0.00 0.00 0.42 0.61 -0.69 0.00 0.00 174.62 174.96 1sro n GLY 11 N 4.18 2.21 3.91 4.40 0.00 -0.67 -4.59 105.19 114.63 1sro n GLY 11 Ca -0.17 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 1sro n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sro s LYS 12 N -2.60 2.71 -0.63 1.61 1.02 0.44 -0.57 119.74 121.71 1sro s LYS 12 Ca 0.23 -1.36 -0.23 0.00 0.02 0.00 0.00 55.97 54.63 1sro s LYS 12 Cb -0.01 -2.53 0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1sro s LYS 12 CO 0.16 -0.11 0.95 0.08 -0.92 0.00 0.00 175.35 175.51 1sro s VAL 13 N -2.37 4.36 -0.81 3.17 1.01 0.40 -1.64 120.40 124.51 1sro s VAL 13 Ca 0.48 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.32 1sro s VAL 13 Cb -0.06 -4.64 0.32 0.00 0.00 0.00 0.00 36.38 32.00 1sro s VAL 13 CO 0.29 -1.37 1.26 0.35 0.00 0.00 0.00 175.10 175.64 1sro n THR 14 N 5.96 1.15 -3.63 3.92 -2.24 -1.26 -2.14 114.28 116.05 1sro n THR 14 Ca -0.03 -1.10 -0.05 0.00 -2.27 0.00 0.00 64.05 60.60 1sro n THR 14 Cb 0.46 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.21 0.23 0.03 -0.78 3.00 -1.24 -4.95 118.95 114.04 1sro s ARG 15 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 55.73 56.09 1sro s ARG 15 Cb 0.14 0.11 -0.02 0.00 0.00 0.00 0.00 34.95 35.18 1sro s ARG 15 CO 0.14 -0.06 -0.04 0.42 0.00 0.00 0.00 175.30 175.76 1sro s ILE 16 N -0.71 0.21 0.11 1.52 1.01 -1.26 -0.33 121.20 121.76 1sro s ILE 16 Ca 0.05 -1.09 0.06 0.00 0.00 0.00 0.00 60.65 59.67 1sro s ILE 16 Cb -0.02 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1sro s ILE 16 CO -0.07 -0.56 -0.14 0.68 0.00 0.00 0.00 174.94 174.85 1sro s VAL 17 N -1.86 1.29 0.23 2.92 -7.23 -0.31 -4.72 120.40 110.72 1sro s VAL 17 Ca -0.11 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1sro s VAL 17 Cb -0.07 -1.47 0.20 0.00 0.56 0.00 0.00 36.38 35.60 1sro s VAL 17 CO -0.02 -0.39 1.88 0.44 -0.31 0.00 0.00 175.10 176.70 1sro h ASP 18 N 3.62 0.93 -0.50 4.85 5.19 -2.02 -1.26 116.42 127.23 1sro h ASP 18 Ca -0.40 -0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 55.79 1sro h ASP 18 Cb 1.19 -0.22 -0.13 0.00 0.18 0.00 0.00 39.33 40.36 1sro h ASP 18 CO 0.49 0.65 0.27 2.22 -3.12 0.00 0.00 179.24 179.75 1sro n PHE 19 N -4.54 1.58 -1.09 4.55 1.16 -1.26 -4.81 117.46 113.06 1sro n PHE 19 Ca 0.10 -1.02 0.00 0.00 -1.87 0.00 0.00 57.45 54.66 1sro n PHE 19 Cb 0.06 -0.56 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 -0.21 -0.18 3.26 4.97 0.00 -0.48 -3.29 105.19 109.27 1sro n GLY 20 Ca 0.29 -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 -0.89 0.29 4.61 0.00 0.14 -1.16 121.76 123.75 1sro s ALA 21 Ca 0.00 0.74 0.08 0.00 0.00 0.00 0.00 51.96 52.78 1sro s ALA 21 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1sro s ALA 21 CO 0.00 -0.22 0.17 -0.06 0.00 0.00 0.00 175.76 175.65 1sro s PHE 22 N -0.52 2.90 0.20 0.00 0.40 0.55 0.12 117.98 121.64 1sro s PHE 22 Ca -0.06 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 1sro s PHE 22 Cb -0.04 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1sro s PHE 22 CO 0.02 0.43 0.40 0.08 0.70 0.00 0.00 175.22 176.85 1sro s VAL 23 N -2.27 0.03 0.03 -0.44 1.01 -0.05 -3.63 120.40 115.09 1sro s VAL 23 Ca 0.35 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1sro s VAL 23 Cb -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1sro s VAL 23 CO 0.24 -0.15 -0.11 0.00 0.00 0.00 0.00 175.10 175.08 1sro s ALA 24 N -3.97 0.86 -0.06 5.51 0.00 -0.65 0.41 121.76 123.86 1sro s ALA 24 Ca 0.18 -0.67 0.22 0.00 0.00 0.00 0.00 51.96 51.69 1sro s ALA 24 Cb 0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 23.12 22.72 1sro s ALA 24 CO 0.03 0.14 0.53 0.44 0.00 0.00 0.00 175.76 176.89 1sro n ILE 25 N 2.06 0.14 -0.15 0.00 -5.35 -0.70 -0.42 119.36 114.94 1sro n ILE 25 Ca -0.18 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1sro n ILE 25 Cb 0.55 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 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 1.27 2.54 1.72 3.28 0.00 -1.16 -4.72 105.19 108.12 1sro n GLY 26 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 3.58 1.83 -0.02 0.00 -1.26 -4.71 105.19 102.61 1sro n GLY 27 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.02 0.93 3.26 -0.02 0.00 -1.26 -5.01 105.19 103.07 1sro n GLY 28 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.39 1.49 0.16 1.61 -0.14 -1.26 -5.09 119.74 116.12 1sro s LYS 29 Ca 0.00 -1.80 0.07 0.00 -1.36 0.00 0.00 55.97 52.88 1sro s LYS 29 Cb 0.00 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.42 1sro s LYS 29 CO 0.00 -0.53 -0.14 -1.83 -0.76 0.00 0.00 175.35 172.09 1sro s GLU 30 N -3.79 1.18 0.34 1.68 -1.05 -1.26 -1.72 118.70 114.07 1sro s GLU 30 Ca 0.39 -1.42 0.04 0.00 -0.15 0.00 0.00 54.97 53.83 1sro s GLU 30 Cb 0.04 -1.01 0.04 0.00 -0.44 0.00 0.00 34.13 32.77 1sro s GLU 30 CO 0.19 0.18 0.34 0.41 0.95 0.00 0.00 175.26 177.33 1sro n GLY 31 N 0.06 2.49 3.20 -3.83 0.00 0.17 -4.71 105.19 102.57 1sro n GLY 31 Ca -0.12 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.49 -1.16 0.99 2.96 -1.26 -0.87 118.68 118.85 1sro s LEU 32 Ca 0.26 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.01 1sro s LEU 32 Cb -0.02 1.19 0.24 0.00 0.50 0.00 0.00 46.19 48.10 1sro s LEU 32 CO 0.16 -0.23 1.94 0.52 -1.32 0.00 0.00 176.35 177.43 1sro n VAL 33 N 5.24 5.53 -1.15 1.68 0.31 0.33 -4.32 118.33 125.94 1sro n VAL 33 Ca -0.10 -5.30 -0.36 0.00 -0.01 0.00 0.00 64.34 58.57 1sro n VAL 33 Cb 0.50 -1.89 0.06 0.00 -0.91 0.00 0.00 33.84 31.60 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 1.16 -1.86 -0.22 3.52 -0.00 -0.93 0.27 115.22 117.16 1sro n HIS 34 Ca 0.47 0.29 -0.02 0.00 0.46 0.00 0.00 57.72 58.92 1sro n HIS 34 Cb 0.28 -1.79 0.04 0.00 -0.12 0.00 0.00 29.99 28.40 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 -0.58 0.23 -0.10 3.57 6.09 -1.79 0.91 117.51 125.84 1sro h ILE 35 Ca -0.44 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 62.94 1sro h ILE 35 Cb 1.35 0.23 -0.04 0.00 0.47 0.00 0.00 36.82 38.83 1sro h ILE 35 CO 0.38 0.00 -0.04 -1.54 -3.07 0.00 0.00 178.15 173.89 1sro n SER 36 N -5.45 5.50 -2.77 2.19 3.41 -1.26 -4.14 113.62 111.09 1sro n SER 36 Ca 0.07 -2.53 -0.10 0.00 -0.26 0.00 0.00 58.87 56.04 1sro n SER 36 Cb 0.36 -1.20 0.06 0.00 -0.26 0.00 0.00 64.21 63.17 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 1.60 1.11 0.00 4.33 6.02 0.31 -5.02 117.38 125.73 1sro n GLN 37 Ca 0.16 -2.52 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 1sro n GLN 37 Cb 0.62 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 31.03 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 -0.12 0.00 -0.06 5.09 -0.00 -1.26 -3.75 119.36 119.26 1sro n ILE 38 Ca 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.62 1sro n ILE 38 Cb 0.78 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 40.29 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 1.16 0.00 -1.39 0.00 -1.26 -4.57 120.51 111.45 1sro n ALA 39 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1sro n ALA 39 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1sro n ALA 39 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sro n ASP 40 N -3.37 0.00 0.00 0.00 5.75 -1.26 -4.55 116.55 113.12 1sro n ASP 40 Ca -0.39 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 1sro n ASP 40 Cb 1.02 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 1sro n ASP 40 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1sro n LYS 41 N 0.00 0.00 0.00 0.11 4.81 -1.26 -4.95 118.16 116.86 1sro n LYS 41 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1sro n LYS 41 Cb 0.00 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.27 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 0.77 -1.43 1.64 5.12 -1.26 -4.06 116.66 117.45 1sro n ARG 42 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 1sro n ARG 42 Cb 0.00 -1.15 -0.08 0.00 -1.16 0.00 0.00 32.46 30.07 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 -0.65 3.64 -0.07 1.55 0.31 -1.26 -4.63 118.33 117.21 1sro n VAL 43 Ca 0.06 -2.77 0.24 0.00 -0.01 0.00 0.00 64.34 61.86 1sro n VAL 43 Cb 0.03 -1.87 0.55 0.00 -0.91 0.00 0.00 33.84 31.63 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 3.44 0.00 -5.13 5.55 4.39 -1.95 -3.32 114.58 117.56 1sro h GLU 44 Ca 0.43 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.46 1sro h GLU 44 Cb 0.83 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.14 1sro h GLU 44 CO 0.88 0.00 -0.86 0.15 -1.16 0.00 0.00 179.01 178.02 1sro s LYS 45 N -4.48 3.02 0.31 2.33 -0.14 -1.26 -4.98 119.74 114.54 1sro s LYS 45 Ca -0.03 -0.83 0.17 0.00 -1.36 0.00 0.00 55.97 53.91 1sro s LYS 45 Cb 0.14 -2.52 0.18 0.00 -1.68 0.00 0.00 37.83 33.96 1sro s LYS 45 CO 0.48 -0.10 1.50 0.28 -0.76 0.00 0.00 175.35 176.74 1sro h VAL 46 N 5.87 0.76 0.00 3.17 2.07 -1.84 -2.97 116.25 123.30 1sro h VAL 46 Ca -0.39 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1sro h VAL 46 Cb 1.17 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1sro h VAL 46 CO 0.59 0.42 0.00 0.35 0.02 0.00 0.00 177.57 178.96 1sro n THR 47 N -3.24 0.00 -0.11 2.57 -2.24 -1.26 -1.43 114.28 108.57 1sro n THR 47 Ca 0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 1sro n THR 47 Cb 0.68 -0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.42 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 1.97 -0.00 3.42 9.92 -1.12 -4.55 116.55 125.40 1sro n ASP 48 Ca 0.11 -0.10 -0.13 0.00 -0.53 0.00 0.00 54.79 54.14 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 1.88 0.13 0.00 0.00 177.20 179.21 1sro h TYR 49 N 0.00 0.19 -2.96 1.24 -1.99 -1.64 -3.45 116.97 108.35 1sro h TYR 49 Ca -0.50 -0.14 -0.63 0.00 2.00 0.00 0.00 58.73 59.47 1sro h TYR 49 Cb 1.83 -0.01 -0.09 0.00 2.00 0.00 0.00 36.73 40.47 1sro h TYR 49 CO 0.02 1.27 -0.44 -0.51 -0.00 0.00 0.00 178.16 178.51 1sro s LEU 50 N -6.47 4.32 -0.04 3.88 2.01 -0.51 -5.08 118.68 116.79 1sro s LEU 50 Ca -0.10 0.45 -0.01 0.00 0.01 0.00 0.00 54.13 54.47 1sro s LEU 50 Cb 0.07 -2.17 0.03 0.00 0.01 0.00 0.00 46.19 44.14 1sro s LEU 50 CO 0.81 0.29 0.04 -1.10 1.01 0.00 0.00 176.35 177.40 1sro s GLN 51 N -0.40 0.10 -0.55 1.70 -0.21 -1.26 -4.54 119.66 114.51 1sro s GLN 51 Ca 0.14 0.27 -0.34 0.00 0.02 0.00 0.00 55.36 55.45 1sro s GLN 51 Cb -0.12 -0.56 -0.14 0.00 1.00 0.00 0.00 33.01 33.19 1sro s GLN 51 CO 0.03 -0.28 2.35 0.00 -2.12 0.00 0.00 175.29 175.27 1sro n MET 52 N 4.99 0.68 0.00 2.91 0.00 -1.26 -1.42 117.12 123.02 1sro n MET 52 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1sro n MET 52 Cb 0.50 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.43 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 6.56 4.10 3.77 3.17 0.00 -0.91 -4.93 105.19 116.95 1sro n GLY 53 Ca 0.48 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 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 3.76 -0.02 1.61 -0.21 -0.50 -4.50 119.66 119.80 1sro s GLN 54 Ca 0.00 1.81 0.07 0.00 0.02 0.00 0.00 55.36 57.26 1sro s GLN 54 Cb 0.00 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 1sro s GLN 54 CO 0.00 -0.56 -0.23 -1.21 -2.12 0.00 0.00 175.29 171.17 1sro s GLU 55 N -2.67 1.84 0.05 2.91 8.01 -1.26 -0.45 118.70 127.13 1sro s GLU 55 Ca 0.63 -0.82 -0.09 0.00 0.01 0.00 0.00 54.97 54.70 1sro s GLU 55 Cb -0.29 -1.78 0.00 0.00 -4.31 0.00 0.00 34.13 27.75 1sro s GLU 55 CO 0.36 0.49 0.19 0.14 0.01 0.00 0.00 175.26 176.45 1sro s VAL 56 N -0.54 0.12 0.31 2.63 -7.23 0.26 -4.90 120.40 111.05 1sro s VAL 56 Ca 0.09 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.10 1sro s VAL 56 Cb -0.09 -1.01 -0.09 0.00 0.56 0.00 0.00 36.38 35.75 1sro s VAL 56 CO -0.01 -0.53 0.82 -2.16 -0.31 0.00 0.00 175.10 172.91 1sro s PRO 57 N -2.85 4.26 0.00 4.82 0.04 -1.26 -1.67 135.00 138.34 1sro s PRO 57 Ca -0.03 0.97 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1sro s PRO 57 Cb 0.00 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1sro s PRO 57 CO -0.05 0.23 0.00 1.33 0.04 0.00 0.00 177.00 178.54 1sro n VAL 58 N 0.15 0.00 -4.22 -0.36 0.24 -0.31 -1.30 118.33 112.53 1sro n VAL 58 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.13 1sro n VAL 58 Cb 0.52 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.58 0.74 -0.91 7.34 1.02 0.21 -1.15 119.74 125.42 1sro s LYS 59 Ca 0.00 -0.18 -0.25 0.00 0.02 0.00 0.00 55.97 55.56 1sro s LYS 59 Cb 0.00 -0.73 -0.13 0.00 -0.52 0.00 0.00 37.83 36.45 1sro s LYS 59 CO 0.00 0.02 2.20 0.08 -0.92 0.00 0.00 175.35 176.74 1sro s VAL 60 N 0.44 3.17 0.34 3.17 1.01 -0.92 -0.09 120.40 127.51 1sro s VAL 60 Ca -0.06 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1sro s VAL 60 Cb -0.10 -3.58 0.32 0.00 0.00 0.00 0.00 36.38 33.02 1sro s VAL 60 CO 0.00 -0.34 1.85 0.25 0.00 0.00 0.00 175.10 176.86 1sro h LEU 61 N 20.96 0.69 0.00 3.92 5.85 -0.04 -3.35 115.31 143.35 1sro h LEU 61 Ca 0.05 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1sro h LEU 61 Cb 1.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1sro h LEU 61 CO 1.08 0.33 0.00 -1.84 -0.34 0.00 0.00 178.44 177.67 1sro n GLU 62 N -4.59 0.00 -3.70 1.25 0.28 -0.95 -4.96 120.64 107.97 1sro n GLU 62 Ca 0.19 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.08 1sro n GLU 62 Cb 0.49 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.25 1sro n GLU 62 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1sro s VAL 63 N -2.00 -0.02 0.28 3.84 1.01 -1.26 -1.09 120.40 121.16 1sro s VAL 63 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1sro s VAL 63 Cb 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1sro s VAL 63 CO 0.00 0.04 0.48 -0.90 0.00 0.00 0.00 175.10 174.72 1sro n ASP 64 N 4.22 -1.37 -0.31 3.32 5.75 -0.62 -4.94 116.55 122.60 1sro n ASP 64 Ca -0.23 -2.33 0.15 0.00 -0.01 0.00 0.00 54.79 52.37 1sro n ASP 64 Cb 0.55 2.39 0.32 0.00 -1.03 0.00 0.00 41.12 43.36 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 0.16 -2.15 0.11 0.11 -2.05 0.22 114.38 110.78 1sro h ARG 65 Ca -0.23 -0.01 -0.74 0.00 0.10 0.00 0.00 59.98 59.10 1sro h ARG 65 Cb 0.92 -0.04 -0.31 0.00 1.11 0.00 0.00 29.97 31.65 1sro h ARG 65 CO 0.30 0.10 0.59 1.04 0.10 0.00 0.00 179.97 182.10 1sro n GLN 66 N -5.27 4.31 -2.88 0.08 1.13 -1.26 -4.78 117.38 108.72 1sro n GLN 66 Ca 0.24 -4.45 0.03 0.00 -1.94 0.00 0.00 57.00 50.87 1sro n GLN 66 Cb 0.76 -2.37 0.00 0.00 0.11 0.00 0.00 30.24 28.75 1sro n GLN 66 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1sro s GLY 67 N -1.86 -1.39 -0.65 1.08 0.00 0.79 -5.07 107.32 100.22 1sro s GLY 67 Ca 0.44 1.45 -0.22 0.00 0.00 0.00 0.00 44.72 46.39 1sro s GLY 67 CO -0.20 4.24 0.95 0.50 0.00 0.00 0.00 173.10 178.59 1sro s ARG 68 N 2.20 3.11 -0.49 2.90 0.52 -1.26 -1.59 118.95 124.34 1sro s ARG 68 Ca 0.18 -0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 54.31 1sro s ARG 68 Cb 0.02 -4.23 0.03 0.00 0.52 0.00 0.00 34.95 31.29 1sro s ARG 68 CO -0.17 -1.79 0.63 -0.89 0.02 0.00 0.00 175.30 173.10 1sro n ILE 69 N 5.90 -8.24 -2.94 1.52 5.41 -1.26 -4.84 119.36 114.91 1sro n ILE 69 Ca -0.04 0.47 -0.44 0.00 1.00 0.00 0.00 62.75 63.74 1sro n ILE 69 Cb 0.45 -5.80 -0.02 0.00 -0.71 0.00 0.00 39.64 33.57 1sro n ILE 69 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1sro s ARG 70 N -2.74 3.72 0.51 0.38 1.81 -0.25 -4.52 118.95 117.86 1sro s ARG 70 Ca 0.26 -1.97 -0.03 0.00 -1.72 0.00 0.00 55.73 52.26 1sro s ARG 70 Cb -0.05 -4.94 -0.01 0.00 -0.45 0.00 0.00 34.95 29.50 1sro s ARG 70 CO 0.81 -1.76 0.79 -0.51 -0.68 0.00 0.00 175.30 173.95 1sro s LEU 71 N 2.38 3.47 -0.22 2.53 1.43 -1.26 0.66 118.68 127.67 1sro s LEU 71 Ca 0.35 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 1sro s LEU 71 Cb -0.04 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.78 1sro s LEU 71 CO -0.07 -0.82 0.04 -0.44 0.23 0.00 0.00 176.35 175.29 1sro s SER 72 N -4.23 3.25 0.25 2.29 0.01 0.87 -4.66 113.70 111.48 1sro s SER 72 Ca 0.50 -1.04 -0.28 0.00 1.31 0.00 0.00 55.95 56.45 1sro s SER 72 Cb -0.10 -0.69 -0.15 0.00 0.21 0.00 0.00 66.02 65.28 1sro s SER 72 CO 0.42 -0.33 0.74 -0.38 0.41 0.00 0.00 173.24 174.11 1sro n ILE 73 N 4.98 1.98 -0.69 1.44 5.41 -1.25 -0.61 119.36 130.61 1sro n ILE 73 Ca -0.08 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.85 1sro n ILE 73 Cb 0.46 -0.49 0.16 0.00 -0.71 0.00 0.00 39.64 39.05 1sro n ILE 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1sro n LYS 74 N 0.85 -1.52 -3.78 0.38 4.81 -0.42 -3.47 118.16 115.02 1sro n LYS 74 Ca 0.14 -0.43 -0.33 0.00 -0.87 0.00 0.00 58.31 56.81 1sro n LYS 74 Cb 0.29 -1.60 0.03 0.00 0.02 0.00 0.00 35.03 33.77 1sro n LYS 74 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1sro n GLU 75 N -1.55 -0.97 0.00 1.64 4.07 -1.26 -4.88 120.64 117.68 1sro n GLU 75 Ca 0.01 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1sro n GLU 75 Cb 0.62 -3.51 0.00 0.00 -0.06 0.00 0.00 31.44 28.50 1sro n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07