#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eli s SER 2 N 0.00 -0.83 0.30 1.61 0.01 -1.26 -5.18 113.70 108.35 2eli s SER 2 Ca 0.00 1.30 0.06 0.00 1.31 0.00 0.00 55.95 58.62 2eli s SER 2 Cb 0.00 1.45 -0.06 0.00 0.21 0.00 0.00 66.02 67.62 2eli s SER 2 CO 0.00 -0.20 -0.03 -0.44 0.41 0.00 0.00 173.24 172.98 2eli s SER 3 N 1.73 2.80 -0.42 2.44 0.01 -1.26 -5.10 113.70 113.90 2eli s SER 3 Ca -0.09 -1.24 0.09 0.00 1.31 0.00 0.00 55.95 56.01 2eli s SER 3 Cb -0.05 -0.17 0.28 0.00 0.21 0.00 0.00 66.02 66.28 2eli s SER 3 CO -0.18 -0.40 0.62 0.61 0.41 0.00 0.00 173.24 174.30 2eli n GLY 4 N -0.64 3.42 3.57 3.44 0.00 -1.26 -5.04 105.19 108.69 2eli n GLY 4 Ca -0.05 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2eli n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eli s SER 5 N -1.78 5.70 -0.10 1.61 0.01 -1.26 -4.60 113.70 113.28 2eli s SER 5 Ca 0.38 -1.66 -0.12 0.00 1.31 0.00 0.00 55.95 55.85 2eli s SER 5 Cb 0.22 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2eli s SER 5 CO -0.09 -2.33 -0.24 -0.24 0.41 0.00 0.00 173.24 170.75 2eli n SER 6 N 12.08 1.61 -0.27 2.44 2.88 -1.26 -5.13 113.62 125.97 2eli n SER 6 Ca 0.44 0.26 0.03 0.00 -1.33 0.00 0.00 58.87 58.27 2eli n SER 6 Cb 0.47 -0.62 -0.01 0.00 -0.75 0.00 0.00 64.21 63.31 2eli n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eli n GLY 7 N 2.00 -2.11 2.59 0.46 0.00 -1.26 -4.85 105.19 102.01 2eli n GLY 7 Ca -0.10 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 2eli n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eli s GLY 8 N -2.79 0.79 -0.87 -0.02 0.00 -1.26 -5.08 107.32 98.09 2eli s GLY 8 Ca 0.00 -1.49 -0.25 0.00 0.00 0.00 0.00 44.72 42.98 2eli s GLY 8 CO 0.00 1.92 1.94 2.56 0.00 0.00 0.00 173.10 179.52 2eli s PRO 9 N 1.66 2.56 0.31 2.90 0.04 -1.26 -4.95 135.00 136.25 2eli s PRO 9 Ca 0.12 -0.19 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 2eli s PRO 9 Cb -0.18 -4.99 -0.10 0.00 0.04 0.00 0.00 34.50 29.27 2eli s PRO 9 CO -0.24 -3.31 1.36 -0.51 0.04 0.00 0.00 177.00 174.34 2eli s ASP 10 N 8.06 6.69 -0.12 6.66 1.11 -1.26 -5.02 116.67 132.79 2eli s ASP 10 Ca 0.70 2.72 0.02 0.00 0.18 0.00 0.00 52.55 56.16 2eli s ASP 10 Cb -0.07 -2.64 -0.00 0.00 1.07 0.00 0.00 42.92 41.27 2eli s ASP 10 CO 0.02 -0.62 -0.19 0.42 1.18 0.00 0.00 175.17 175.98 2eli s THR 11 N -0.78 2.48 -0.30 -1.27 -4.23 -1.26 -5.01 115.64 105.27 2eli s THR 11 Ca 0.52 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2eli s THR 11 Cb -0.41 -2.00 0.46 0.00 1.34 0.00 0.00 72.50 71.89 2eli s THR 11 CO 0.51 0.54 1.18 -0.67 -0.54 0.00 0.00 174.62 175.63 2eli n ASP 12 N 3.69 4.57 -3.58 3.99 -0.08 -1.26 -4.95 116.55 118.94 2eli n ASP 12 Ca -0.19 -3.58 -0.19 0.00 -1.51 0.00 0.00 54.79 49.32 2eli n ASP 12 Cb 0.52 -0.36 0.06 0.00 2.34 0.00 0.00 41.12 43.68 2eli n ASP 12 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2eli n ASP 13 N -0.68 -1.58 0.16 1.67 9.92 -1.26 -4.87 116.55 119.91 2eli n ASP 13 Ca 0.40 -0.73 0.13 0.00 -0.53 0.00 0.00 54.79 54.06 2eli n ASP 13 Cb 0.93 -4.54 0.54 0.00 -0.64 0.00 0.00 41.12 37.42 2eli n ASP 13 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2eli h PRO 14 N -1.88 0.00 -0.38 -0.24 0.13 -1.96 -2.71 132.00 124.96 2eli h PRO 14 Ca -0.60 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.38 2eli h PRO 14 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 2eli h PRO 14 CO 0.53 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 177.97 2eli h ARG 15 N 0.00 0.90 0.00 0.86 2.47 -1.96 -3.19 114.38 113.45 2eli h ARG 15 Ca 0.00 -0.46 -0.22 0.00 -1.26 0.00 0.00 59.98 58.04 2eli h ARG 15 Cb 0.39 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.68 2eli h ARG 15 CO 0.00 1.11 -1.22 0.66 0.56 0.00 0.00 179.97 181.08 2eli h SER 16 N 0.71 0.00 -1.97 7.04 4.64 -1.79 -3.47 113.55 118.70 2eli h SER 16 Ca 0.07 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.86 2eli h SER 16 Cb 0.92 0.00 0.24 0.00 -0.31 0.00 0.00 62.40 63.25 2eli h SER 16 CO 0.09 0.92 -1.84 0.29 -0.87 0.00 0.00 176.83 175.41 2eli n LYS 17 N -3.20 -0.19 -3.71 4.77 4.76 -1.04 -0.66 118.16 118.90 2eli n LYS 17 Ca -0.06 -0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 54.96 2eli n LYS 17 Cb 0.95 -1.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.88 2eli n LYS 17 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2eli s HIS 18 N -2.08 3.59 -0.36 2.13 3.76 -1.26 -4.57 115.29 116.50 2eli s HIS 18 Ca 0.43 0.64 -0.00 0.00 -0.15 0.00 0.00 55.06 55.98 2eli s HIS 18 Cb -0.10 -2.12 0.29 0.00 1.11 0.00 0.00 32.58 31.76 2eli s HIS 18 CO 0.75 0.58 1.90 1.63 -0.85 0.00 0.00 174.74 178.75 2eli n LYS 19 N 2.38 1.92 -1.66 1.40 4.76 -1.26 -4.96 118.16 120.74 2eli n LYS 19 Ca -0.17 -1.87 -0.45 0.00 -2.87 0.00 0.00 58.31 52.95 2eli n LYS 19 Cb 0.53 -1.73 -0.04 0.00 -1.84 0.00 0.00 35.03 31.95 2eli n LYS 19 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2eli n PHE 20 N -0.04 2.37 -4.03 2.13 3.72 -1.26 -3.60 117.46 116.75 2eli n PHE 20 Ca 0.36 -0.17 -0.34 0.00 -0.05 0.00 0.00 57.45 57.25 2eli n PHE 20 Cb 0.74 -2.73 -0.15 0.00 -0.94 0.00 0.00 39.48 36.40 2eli n PHE 20 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2eli s LYS 21 N 4.45 3.11 -0.12 -1.08 2.36 -0.45 -4.84 119.74 123.16 2eli s LYS 21 Ca 0.92 -0.77 -0.29 0.00 -2.55 0.00 0.00 55.97 53.28 2eli s LYS 21 Cb -0.57 -2.76 -0.06 0.00 -1.05 0.00 0.00 37.83 33.39 2eli s LYS 21 CO 0.47 -0.22 2.09 -1.50 1.55 0.00 0.00 175.35 177.74 2eli s ILE 22 N 1.36 3.05 0.07 5.43 1.10 -1.26 -2.76 121.20 128.18 2eli s ILE 22 Ca 0.05 0.06 -0.05 0.00 -0.51 0.00 0.00 60.65 60.20 2eli s ILE 22 Cb -0.14 -3.05 -0.02 0.00 0.15 0.00 0.00 42.46 39.40 2eli s ILE 22 CO -0.09 -0.02 0.07 -2.28 -2.11 0.00 0.00 174.94 170.51 2eli s HIS 23 N 6.71 0.34 0.36 3.50 2.46 -1.12 -4.96 115.29 122.59 2eli s HIS 23 Ca 0.94 -0.82 -0.08 0.00 0.47 0.00 0.00 55.06 55.58 2eli s HIS 23 Cb -0.36 -0.23 -0.06 0.00 -0.13 0.00 0.00 32.58 31.80 2eli s HIS 23 CO 0.37 -0.45 0.68 0.95 -2.47 0.00 0.00 174.74 173.82 2eli s THR 24 N -3.82 4.89 0.11 0.89 -4.23 -1.26 -3.83 115.64 108.39 2eli s THR 24 Ca 0.05 0.35 0.10 0.00 -1.18 0.00 0.00 61.69 61.02 2eli s THR 24 Cb 0.06 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2eli s THR 24 CO -0.10 -0.46 -0.26 -0.31 -0.54 0.00 0.00 174.62 172.95 2eli s TYR 25 N -2.28 2.22 -2.44 3.99 1.51 -1.26 -5.01 117.35 114.07 2eli s TYR 25 Ca 0.48 -0.39 0.22 0.00 -1.01 0.00 0.00 57.07 56.36 2eli s TYR 25 Cb -0.10 -1.23 0.11 0.00 -0.11 0.00 0.00 41.96 40.63 2eli s TYR 25 CO 0.32 0.28 1.14 0.41 -1.11 0.00 0.00 175.55 176.58 2eli n GLY 26 N 1.11 0.52 3.10 0.71 0.00 -1.26 -4.97 105.19 104.40 2eli n GLY 26 Ca -0.18 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 2eli n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eli s SER 27 N -2.02 0.82 -0.67 1.61 0.01 -1.26 -5.09 113.70 107.10 2eli s SER 27 Ca 0.23 -0.79 -0.26 0.00 1.31 0.00 0.00 55.95 56.43 2eli s SER 27 Cb 0.18 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 2eli s SER 27 CO 0.37 -0.39 1.88 -2.16 0.41 0.00 0.00 173.24 173.35 2eli s PRO 28 N -2.83 2.61 0.29 12.44 0.04 -1.26 -4.98 135.00 141.31 2eli s PRO 28 Ca 0.00 0.43 0.01 0.00 0.04 0.00 0.00 61.00 61.48 2eli s PRO 28 Cb -0.01 -4.52 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 2eli s PRO 28 CO -0.04 -2.86 0.47 0.99 0.04 0.00 0.00 177.00 175.60 2eli s THR 29 N 9.28 5.16 -0.19 1.26 2.01 -1.26 -4.97 115.64 126.92 2eli s THR 29 Ca 0.68 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 2eli s THR 29 Cb -0.11 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2eli s THR 29 CO 0.16 -0.41 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.27 2eli s PHE 30 N -2.13 2.95 0.98 4.92 0.08 -1.26 -1.22 117.98 122.30 2eli s PHE 30 Ca 0.39 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.56 2eli s PHE 30 Cb -0.10 -2.03 -0.07 0.00 -0.57 0.00 0.00 43.02 40.26 2eli s PHE 30 CO 0.33 -0.37 -0.27 0.00 -0.10 0.00 0.00 175.22 174.81 2eli n ASP 32 N 1.33 2.32 0.03 0.00 -0.08 0.53 -3.71 116.55 116.96 2eli n ASP 32 Ca 0.02 -0.08 -0.01 0.00 -1.51 0.00 0.00 54.79 53.21 2eli n ASP 32 Cb 0.55 -0.06 -0.01 0.00 2.34 0.00 0.00 41.12 43.94 2eli n ASP 32 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 2eli h HIS 33 N 0.00 -0.07 0.10 -0.67 2.76 -1.93 -3.39 115.15 111.95 2eli h HIS 33 Ca -0.41 -0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.44 2eli h HIS 33 Cb 1.70 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.67 2eli h HIS 33 CO 0.02 -0.04 -1.61 0.00 -1.30 0.00 0.00 177.93 175.00 2eli n GLY 35 N 1.69 2.39 3.25 0.00 0.00 -1.24 -5.02 105.19 106.26 2eli n GLY 35 Ca -0.18 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 2eli n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eli n SER 36 N 0.24 -3.59 -4.79 1.61 7.64 -1.26 -2.03 113.62 111.43 2eli n SER 36 Ca 0.00 0.65 -0.34 0.00 1.01 0.00 0.00 58.87 60.20 2eli n SER 36 Cb 0.00 -0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 62.33 2eli n SER 36 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2eli s LEU 37 N 4.88 3.69 -0.47 -3.43 2.96 -1.26 0.35 118.68 125.41 2eli s LEU 37 Ca 0.57 1.94 -0.20 0.00 -0.22 0.00 0.00 54.13 56.22 2eli s LEU 37 Cb -0.49 -4.55 0.04 0.00 0.50 0.00 0.00 46.19 41.68 2eli s LEU 37 CO 0.66 -1.04 0.64 -0.76 -1.32 0.00 0.00 176.35 174.53 2eli s LEU 38 N -3.96 4.64 0.33 -0.68 1.43 -0.36 -4.80 118.68 115.28 2eli s LEU 38 Ca 0.67 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 53.32 2eli s LEU 38 Cb -0.18 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 2eli s LEU 38 CO 0.28 -0.83 0.04 -0.72 0.23 0.00 0.00 176.35 175.35 2eli s TYR 39 N 2.79 2.61 0.00 0.29 1.13 -1.26 -4.51 117.35 118.40 2eli s TYR 39 Ca 0.20 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 2eli s TYR 39 Cb -0.16 -1.47 0.00 0.00 -1.10 0.00 0.00 41.96 39.24 2eli s TYR 39 CO 0.16 0.47 0.00 0.41 -2.51 0.00 0.00 175.55 174.08 2eli n GLY 40 N -0.99 3.40 0.13 5.49 0.00 -1.26 -4.62 105.19 107.34 2eli n GLY 40 Ca -0.04 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.91 2eli n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2eli n LEU 41 N 0.00 2.47 -4.12 0.99 0.00 -1.26 -4.76 117.00 110.32 2eli n LEU 41 Ca 0.00 0.19 -0.23 0.00 0.00 0.00 0.00 56.01 55.97 2eli n LEU 41 Cb 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 43.42 42.26 2eli n LEU 41 CO 0.00 0.72 -0.48 -0.51 0.00 0.00 0.00 177.39 177.12 2eli s ILE 42 N -2.50 1.18 -1.42 1.96 1.10 -1.26 -4.77 121.20 115.48 2eli s ILE 42 Ca -0.29 -0.64 -0.11 0.00 -0.51 0.00 0.00 60.65 59.10 2eli s ILE 42 Cb 0.08 -0.98 0.04 0.00 0.15 0.00 0.00 42.46 41.74 2eli s ILE 42 CO 0.66 0.33 1.12 1.41 -2.11 0.00 0.00 174.94 176.35 2eli n HIS 43 N 2.69 -2.71 -0.04 3.50 8.25 -1.26 -4.90 115.22 120.76 2eli n HIS 43 Ca -0.14 0.98 -0.12 0.00 -0.26 0.00 0.00 57.72 58.17 2eli n HIS 43 Cb 0.55 -4.70 -0.08 0.00 1.12 0.00 0.00 29.99 26.88 2eli n HIS 43 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2eli h GLN 44 N -2.51 -0.43 0.00 -0.41 4.20 -1.82 -3.46 115.11 110.67 2eli h GLN 44 Ca -0.57 0.03 -0.18 0.00 0.06 0.00 0.00 58.65 57.99 2eli h GLN 44 Cb 1.37 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 29.20 2eli h GLN 44 CO 0.60 -0.29 -0.15 0.41 -0.67 0.00 0.00 178.83 178.73 2eli n GLY 45 N -1.35 3.09 3.47 3.46 0.00 -1.25 -4.58 105.19 108.03 2eli n GLY 45 Ca -0.05 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2eli n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eli s MET 46 N -2.51 2.10 -0.07 1.61 -1.94 0.02 -2.77 119.30 115.73 2eli s MET 46 Ca 0.16 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 2eli s MET 46 Cb 0.00 -2.21 0.02 0.00 2.01 0.00 0.00 34.83 34.65 2eli s MET 46 CO 0.12 0.54 -0.08 0.21 -0.01 0.00 0.00 175.02 175.80 2eli s LYS 47 N -1.49 1.25 0.90 2.03 2.47 -1.11 -1.81 119.74 121.97 2eli s LYS 47 Ca 0.15 -0.23 -0.12 0.00 -1.56 0.00 0.00 55.97 54.22 2eli s LYS 47 Cb -0.11 -1.18 0.13 0.00 -1.46 0.00 0.00 37.83 35.21 2eli s LYS 47 CO 0.06 -0.09 1.10 0.00 0.16 0.00 0.00 175.35 176.58 2eli n ASP 49 N -3.84 2.24 -0.12 0.00 2.03 -1.24 -3.21 116.55 112.41 2eli n ASP 49 Ca 0.07 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.23 2eli n ASP 49 Cb 0.56 1.50 -0.13 0.00 -0.72 0.00 0.00 41.12 42.33 2eli n ASP 49 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2eli n THR 50 N -1.95 1.44 0.31 5.18 5.66 -1.26 -4.56 114.28 119.09 2eli n THR 50 Ca -0.03 -0.67 0.03 0.00 -3.05 0.00 0.00 64.05 60.33 2eli n THR 50 Cb 0.35 -1.06 -0.01 0.00 -1.55 0.00 0.00 70.33 68.06 2eli n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2eli n ASP 52 N -0.55 -1.44 -4.72 0.00 2.03 -1.20 -4.91 116.55 105.76 2eli n ASP 52 Ca 0.02 -1.26 -0.35 0.00 0.52 0.00 0.00 54.79 53.73 2eli n ASP 52 Cb 0.13 -1.82 -0.08 0.00 -0.72 0.00 0.00 41.12 38.63 2eli n ASP 52 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2eli s MET 53 N -7.29 3.90 -0.09 -0.67 1.75 -1.26 -4.71 119.30 110.93 2eli s MET 53 Ca 0.22 -0.26 -0.20 0.00 -1.25 0.00 0.00 55.69 54.20 2eli s MET 53 Cb -0.12 -3.27 -0.04 0.00 2.84 0.00 0.00 34.83 34.25 2eli s MET 53 CO 0.97 0.41 0.57 -0.80 -0.65 0.00 0.00 175.02 175.52 2eli s ASN 54 N 0.02 6.82 -0.18 1.11 0.01 -1.26 -2.72 114.94 118.75 2eli s ASN 54 Ca 0.08 0.98 -0.23 0.00 -0.71 0.00 0.00 52.86 52.99 2eli s ASN 54 Cb -0.12 -2.34 0.06 0.00 0.41 0.00 0.00 41.25 39.26 2eli s ASN 54 CO 0.00 -0.04 0.60 0.68 -1.51 0.00 0.00 177.10 176.83 2eli s VAL 55 N 0.63 0.00 0.97 1.60 -7.23 -0.75 -0.35 120.40 115.28 2eli s VAL 55 Ca 0.31 -0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.33 2eli s VAL 55 Cb -0.16 -0.86 0.18 0.00 0.56 0.00 0.00 36.38 36.10 2eli s VAL 55 CO 0.14 -0.02 1.12 -1.00 -0.31 0.00 0.00 175.10 175.03 2eli s HIS 56 N -0.10 1.53 0.44 2.82 3.76 -1.26 -0.80 115.29 121.67 2eli s HIS 56 Ca -0.03 1.67 0.11 0.00 -0.15 0.00 0.00 55.06 56.67 2eli s HIS 56 Cb -0.03 -3.29 0.98 0.00 1.11 0.00 0.00 32.58 31.34 2eli s HIS 56 CO 0.03 -3.08 2.03 0.87 -0.85 0.00 0.00 174.74 173.75 2eli h LYS 57 N -2.06 0.21 -0.00 1.40 1.57 -1.90 -0.95 116.57 114.83 2eli h LYS 57 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2eli h LYS 57 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2eli h LYS 57 CO 0.43 0.24 -0.46 0.00 -0.57 0.00 0.00 179.45 179.08 2eli n GLN 58 N -4.41 0.33 0.09 3.15 10.64 -1.26 -3.87 117.38 122.05 2eli n GLN 58 Ca -0.01 -0.21 0.01 0.00 -1.83 0.00 0.00 57.00 54.96 2eli n GLN 58 Cb 0.16 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.01 2eli n GLN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2eli h VAL 60 N 0.00 0.90 0.00 0.00 -1.51 -1.58 -2.44 116.25 111.62 2eli h VAL 60 Ca -0.08 -1.11 -0.03 0.00 -1.23 0.00 0.00 66.70 64.25 2eli h VAL 60 Cb 1.49 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 32.31 2eli h VAL 60 CO 0.06 0.28 -0.12 -0.29 -1.23 0.00 0.00 177.57 176.27 2eli h ILE 61 N 0.00 0.48 0.11 7.19 2.10 -1.76 -3.02 117.51 122.60 2eli h ILE 61 Ca -0.00 -0.62 -0.31 0.00 1.08 0.00 0.00 64.86 65.01 2eli h ILE 61 Cb 0.64 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 2eli h ILE 61 CO 0.04 0.12 -1.61 0.78 -1.08 0.00 0.00 178.15 176.40 2eli h ASN 62 N 0.00 0.36 -2.82 2.19 2.35 -1.63 -3.47 115.58 112.56 2eli h ASN 62 Ca -0.00 -0.84 -0.59 0.00 -0.55 0.00 0.00 56.30 54.32 2eli h ASN 62 Cb 0.41 -0.12 0.10 0.00 0.05 0.00 0.00 38.32 38.77 2eli h ASN 62 CO 0.02 1.70 0.42 0.52 -1.65 0.00 0.00 177.43 178.43 2eli n VAL 63 N -3.83 1.64 -1.21 2.81 0.31 -1.08 -4.96 118.33 112.02 2eli n VAL 63 Ca -0.28 -0.41 -0.30 0.00 -0.01 0.00 0.00 64.34 63.34 2eli n VAL 63 Cb 0.93 -1.34 0.14 0.00 -0.91 0.00 0.00 33.84 32.66 2eli n VAL 63 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2eli s PRO 64 N -1.29 1.29 -0.05 5.55 0.04 -1.26 -4.90 135.00 134.38 2eli s PRO 64 Ca 0.61 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 2eli s PRO 64 Cb -0.65 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.12 2eli s PRO 64 CO 0.58 -2.22 1.84 0.43 0.04 0.00 0.00 177.00 177.66 2eli n SER 65 N -3.87 5.10 -4.21 6.66 7.64 -1.26 -4.81 113.62 118.87 2eli n SER 65 Ca 0.07 -2.45 -0.26 0.00 1.01 0.00 0.00 58.87 57.24 2eli n SER 65 Cb 0.55 -1.01 -0.15 0.00 -1.01 0.00 0.00 64.21 62.59 2eli n SER 65 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2eli s LEU 66 N -0.30 2.07 0.10 -3.43 1.43 -1.26 -3.40 118.68 113.90 2eli s LEU 66 Ca 0.05 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 2eli s LEU 66 Cb 0.04 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.30 2eli s LEU 66 CO 0.00 0.22 0.38 0.00 0.23 0.00 0.00 176.35 177.17 2eli n GLY 68 N -0.05 0.72 3.34 0.00 0.00 -1.26 -4.80 105.19 103.14 2eli n GLY 68 Ca -0.16 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 2eli n GLY 68 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eli s MET 69 N -2.23 3.41 -0.60 1.61 1.00 -1.26 -5.06 119.30 116.17 2eli s MET 69 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 55.69 55.10 2eli s MET 69 Cb 0.00 -2.91 0.15 0.00 0.00 0.00 0.00 34.83 32.07 2eli s MET 69 CO 0.00 -0.06 0.38 -0.51 0.00 0.00 0.00 175.02 174.83 2eli s ASP 70 N 1.10 4.39 0.00 3.03 1.01 -1.26 -4.87 116.67 120.08 2eli s ASP 70 Ca 0.01 -3.41 -0.02 0.00 0.71 0.00 0.00 52.55 49.84 2eli s ASP 70 Cb -0.15 -1.54 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 2eli s ASP 70 CO -0.01 -0.16 -0.05 0.00 0.21 0.00 0.00 175.17 175.17 2eli n HIS 71 N 2.56 0.00 -1.63 4.23 1.44 -1.26 -5.03 115.22 115.54 2eli n HIS 71 Ca 0.14 0.00 -0.54 0.00 -2.01 0.00 0.00 57.72 55.31 2eli n HIS 71 Cb 0.34 -0.11 -0.06 0.00 0.12 0.00 0.00 29.99 30.28 2eli n HIS 71 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2eli n THR 72 N -3.34 0.11 -2.54 0.61 -1.04 -1.26 -4.89 114.28 101.93 2eli n THR 72 Ca -0.05 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 2eli n THR 72 Cb 0.37 -0.99 -0.00 0.00 -1.82 0.00 0.00 70.33 67.89 2eli n THR 72 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2eli n GLU 73 N 3.53 3.46 -1.07 -2.82 0.28 -1.26 -4.86 120.64 117.90 2eli n GLU 73 Ca 0.21 -4.47 -0.16 0.00 -0.16 0.00 0.00 57.16 52.57 2eli n GLU 73 Cb 0.18 -2.27 -0.06 0.00 1.43 0.00 0.00 31.44 30.72 2eli n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2eli n LYS 74 N -0.39 1.94 -5.16 3.44 4.81 -1.26 -4.86 118.16 116.68 2eli n LYS 74 Ca 0.40 -1.43 -0.30 0.00 -0.87 0.00 0.00 58.31 56.11 2eli n LYS 74 Cb 0.48 -1.81 -0.16 0.00 0.02 0.00 0.00 35.03 33.56 2eli n LYS 74 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2eli s ARG 75 N -0.69 2.21 0.00 1.64 0.52 -1.26 -4.98 118.95 116.39 2eli s ARG 75 Ca 0.46 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 2eli s ARG 75 Cb 0.28 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2eli s ARG 75 CO -0.08 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2eli n GLY 76 N 2.83 1.03 2.49 -3.53 0.00 -1.26 -5.05 105.19 101.70 2eli n GLY 76 Ca -0.17 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 2eli n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2eli n ARG 77 N 0.00 0.00 -4.90 1.61 3.00 -1.26 -4.95 116.66 110.16 2eli n ARG 77 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2eli n ARG 77 Cb 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 32.46 31.58 2eli n ARG 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2eli s ILE 78 N -1.03 2.52 -0.10 5.15 1.09 -1.26 -5.12 121.20 122.46 2eli s ILE 78 Ca 0.46 -1.14 0.02 0.00 -1.10 0.00 0.00 60.65 58.89 2eli s ILE 78 Cb -0.57 -1.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.82 2eli s ILE 78 CO 0.45 0.44 -0.15 -0.31 -0.10 0.00 0.00 174.94 175.27 2eli s TYR 79 N -0.80 2.74 0.06 3.97 2.02 -1.26 -5.12 117.35 118.96 2eli s TYR 79 Ca 0.12 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2eli s TYR 79 Cb -0.10 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 2eli s TYR 79 CO 0.02 -0.08 0.27 -0.51 -1.57 0.00 0.00 175.55 173.69 2eli s LEU 80 N -0.07 4.34 0.53 -1.29 1.02 -1.26 -5.11 118.68 116.84 2eli s LEU 80 Ca -0.03 0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.61 2eli s LEU 80 Cb -0.14 -2.92 0.03 0.00 0.02 0.00 0.00 46.19 43.18 2eli s LEU 80 CO 0.04 0.18 0.74 -0.54 0.02 0.00 0.00 176.35 176.78 2eli s LYS 81 N -2.23 2.59 0.53 1.70 -0.14 -1.26 -5.12 119.74 115.80 2eli s LYS 81 Ca 0.33 -0.87 0.08 0.00 -1.36 0.00 0.00 55.97 54.15 2eli s LYS 81 Cb -0.13 -2.54 0.05 0.00 -1.68 0.00 0.00 37.83 33.53 2eli s LYS 81 CO 0.22 -0.64 0.57 0.00 -0.76 0.00 0.00 175.35 174.74 2eli s ALA 82 N -2.69 4.50 0.26 5.17 0.00 -1.26 -5.14 121.76 122.60 2eli s ALA 82 Ca 0.57 -1.74 0.08 0.00 0.00 0.00 0.00 51.96 50.87 2eli s ALA 82 Cb -0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2eli s ALA 82 CO 0.37 -0.57 0.11 -2.00 0.00 0.00 0.00 175.76 173.68 2eli s GLU 83 N -4.42 2.67 -0.14 0.00 2.12 -1.26 -5.12 118.70 112.54 2eli s GLU 83 Ca 0.49 -1.20 -0.02 0.00 0.36 0.00 0.00 54.97 54.59 2eli s GLU 83 Cb -0.04 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.93 2eli s GLU 83 CO 0.30 0.39 -0.07 0.08 -0.54 0.00 0.00 175.26 175.42 2eli s VAL 84 N -2.21 3.60 -0.39 3.70 1.01 -1.26 -5.37 120.40 119.48 2eli s VAL 84 Ca 0.32 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2eli s VAL 84 Cb -0.07 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2eli s VAL 84 CO 0.23 0.51 0.60 0.00 0.00 0.00 0.00 175.10 176.44