#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 -0.04 0.38 1.61 0.01 -1.26 -5.19 113.70 109.21 2eli s SER 2 Ca 0.00 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.26 2eli s SER 2 Cb 0.00 0.81 -0.03 0.00 0.21 0.00 0.00 66.02 67.01 2eli s SER 2 CO 0.00 -1.60 0.13 -0.44 0.41 0.00 0.00 173.24 171.74 2eli s SER 3 N -3.06 2.48 -0.28 2.44 0.01 -1.26 -5.17 113.70 108.87 2eli s SER 3 Ca 0.15 -1.63 -0.30 0.00 1.31 0.00 0.00 55.95 55.49 2eli s SER 3 Cb -0.05 0.43 0.19 0.00 0.21 0.00 0.00 66.02 66.79 2eli s SER 3 CO 0.10 -0.90 1.33 -0.83 0.41 0.00 0.00 173.24 173.36 2eli s GLY 4 N -3.54 0.05 0.48 3.44 0.00 -1.26 -5.18 107.32 101.31 2eli s GLY 4 Ca 0.28 2.73 0.06 0.00 0.00 0.00 0.00 44.72 47.79 2eli s GLY 4 CO 0.16 1.08 0.28 -0.45 0.00 0.00 0.00 173.10 174.17 2eli s SER 5 N -1.06 4.56 0.07 1.64 0.15 -1.26 -5.09 113.70 112.70 2eli s SER 5 Ca 0.08 -1.18 -0.01 0.00 0.70 0.00 0.00 55.95 55.54 2eli s SER 5 Cb -0.01 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2eli s SER 5 CO -0.07 -0.84 -0.03 -0.24 1.20 0.00 0.00 173.24 173.26 2eli n SER 6 N -1.51 1.05 0.00 5.45 2.88 -1.26 -5.16 113.62 115.06 2eli n SER 6 Ca -0.03 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2eli n SER 6 Cb 0.64 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 3.29 -0.54 0.00 0.46 0.00 -1.26 -5.18 105.19 101.96 2eli n GLY 7 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2eli n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eli n GLY 8 N 0.00 3.74 3.75 -0.02 0.00 -1.26 -5.14 105.19 106.26 2eli n GLY 8 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2eli n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eli s PRO 9 N 4.99 4.43 0.00 1.61 0.04 -1.26 -4.93 135.00 139.87 2eli s PRO 9 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2eli s PRO 9 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2eli s PRO 9 CO 0.00 -0.14 0.00 -0.40 0.04 0.00 0.00 177.00 176.50 2eli n ASP 10 N 1.82 1.38 -4.41 6.66 5.75 -1.26 -5.04 116.55 121.45 2eli n ASP 10 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.47 2eli n ASP 10 Cb 0.43 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.38 2eli n ASP 10 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2eli s THR 11 N -1.94 3.46 0.88 2.12 -1.32 -1.26 -5.12 115.64 112.46 2eli s THR 11 Ca 0.00 -0.50 -0.13 0.00 -1.21 0.00 0.00 61.69 59.85 2eli s THR 11 Cb 0.00 -2.51 0.12 0.00 -1.51 0.00 0.00 72.50 68.60 2eli s THR 11 CO 0.00 0.49 1.18 1.51 -2.21 0.00 0.00 174.62 175.59 2eli s ASP 12 N 0.62 3.85 -0.29 8.08 -4.77 -1.26 -5.10 116.67 117.80 2eli s ASP 12 Ca -0.04 0.77 -0.14 0.00 -3.30 0.00 0.00 52.55 49.83 2eli s ASP 12 Cb -0.15 -1.22 0.14 0.00 -1.09 0.00 0.00 42.92 40.60 2eli s ASP 12 CO 0.03 -2.32 0.83 -0.62 0.70 0.00 0.00 175.17 173.79 2eli s ASP 13 N -4.41 -0.80 0.38 2.11 2.15 -1.26 -5.03 116.67 109.82 2eli s ASP 13 Ca 0.65 1.16 0.28 0.00 0.43 0.00 0.00 52.55 55.07 2eli s ASP 13 Cb -0.11 1.71 1.17 0.00 -0.30 0.00 0.00 42.92 45.38 2eli s ASP 13 CO 0.51 -0.17 1.83 1.55 -0.17 0.00 0.00 175.17 178.72 2eli h PRO 14 N 7.26 0.00 -0.03 4.34 0.13 -1.99 -1.10 132.00 140.62 2eli h PRO 14 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 2eli h PRO 14 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2eli h PRO 14 CO 0.13 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 177.83 2eli h ARG 15 N 0.00 0.09 0.00 0.86 2.47 -1.99 -3.27 114.38 112.53 2eli h ARG 15 Ca 0.00 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2eli h ARG 15 Cb 0.41 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2eli h ARG 15 CO 0.00 0.66 -0.53 0.66 0.56 0.00 0.00 179.97 181.32 2eli h SER 16 N -0.47 0.00 -2.49 7.04 4.64 -1.82 -3.46 113.55 116.98 2eli h SER 16 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2eli h SER 16 Cb 0.66 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.91 2eli h SER 16 CO 0.01 0.04 -0.51 0.29 -0.87 0.00 0.00 176.83 175.79 2eli n LYS 17 N -2.90 0.46 -1.77 4.77 4.76 -0.42 0.16 118.16 123.22 2eli n LYS 17 Ca 0.02 0.17 -0.29 0.00 -2.87 0.00 0.00 58.31 55.34 2eli n LYS 17 Cb 0.56 -1.49 0.13 0.00 -1.84 0.00 0.00 35.03 32.39 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 -1.63 2.43 -0.30 2.13 3.76 -0.46 -4.63 115.29 116.59 2eli s HIS 18 Ca 0.64 0.67 0.17 0.00 -0.15 0.00 0.00 55.06 56.39 2eli s HIS 18 Cb -0.54 -3.60 0.48 0.00 1.11 0.00 0.00 32.58 30.03 2eli s HIS 18 CO 0.58 -2.22 1.09 1.63 -0.85 0.00 0.00 174.74 174.97 2eli n LYS 19 N -3.60 2.16 -1.99 1.40 4.76 -1.26 -5.03 118.16 114.60 2eli n LYS 19 Ca 0.09 -3.69 -0.41 0.00 -2.87 0.00 0.00 58.31 51.44 2eli n LYS 19 Cb 0.60 -1.73 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 2eli n LYS 19 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2eli s PHE 20 N -3.59 2.83 -0.04 2.13 0.08 -1.26 -2.95 117.98 115.19 2eli s PHE 20 Ca 0.34 1.32 -0.01 0.00 0.12 0.00 0.00 56.93 58.71 2eli s PHE 20 Cb 0.38 -3.81 0.03 0.00 -0.57 0.00 0.00 43.02 39.05 2eli s PHE 20 CO -0.02 -2.32 0.02 0.15 -0.10 0.00 0.00 175.22 172.95 2eli s LYS 21 N -1.98 0.25 -0.33 0.44 -0.14 0.06 -4.86 119.74 113.17 2eli s LYS 21 Ca 0.52 0.18 -0.29 0.00 -1.36 0.00 0.00 55.97 55.02 2eli s LYS 21 Cb -0.42 -0.60 -0.07 0.00 -1.68 0.00 0.00 37.83 35.06 2eli s LYS 21 CO 0.56 -0.24 2.28 1.51 -0.76 0.00 0.00 175.35 178.71 2eli n ILE 22 N 4.74 0.20 -4.08 2.17 0.13 -1.26 -2.86 119.36 118.40 2eli n ILE 22 Ca -0.15 -0.49 -0.08 0.00 -1.10 0.00 0.00 62.75 60.93 2eli n ILE 22 Cb 0.50 -2.38 -0.10 0.00 -0.84 0.00 0.00 39.64 36.83 2eli n ILE 22 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 2eli s HIS 23 N 9.10 0.55 -0.01 9.51 5.65 -1.20 -4.99 115.29 133.91 2eli s HIS 23 Ca 1.03 -1.05 -0.06 0.00 0.25 0.00 0.00 55.06 55.24 2eli s HIS 23 Cb -0.43 -0.37 -0.05 0.00 -1.18 0.00 0.00 32.58 30.56 2eli s HIS 23 CO 0.36 -0.43 0.24 0.99 -0.65 0.00 0.00 174.74 175.25 2eli s THR 24 N -3.94 5.35 0.28 0.89 2.01 -1.26 -3.70 115.64 115.27 2eli s THR 24 Ca 0.10 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.26 2eli s THR 24 Cb 0.08 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2eli s THR 24 CO -0.08 0.37 0.26 -0.31 -0.69 0.00 0.00 174.62 174.17 2eli s TYR 25 N -1.29 3.08 -0.50 4.92 1.51 -1.26 -4.95 117.35 118.86 2eli s TYR 25 Ca 0.27 -0.16 0.15 0.00 -1.01 0.00 0.00 57.07 56.31 2eli s TYR 25 Cb -0.13 -1.57 -0.19 0.00 -0.11 0.00 0.00 41.96 39.96 2eli s TYR 25 CO 0.16 0.38 0.55 0.41 -1.11 0.00 0.00 175.55 175.94 2eli n GLY 26 N -1.29 -0.53 3.25 0.71 0.00 -1.26 -5.00 105.19 101.07 2eli n GLY 26 Ca -0.06 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2eli n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eli s SER 27 N -2.88 1.76 -0.53 1.61 1.04 -1.26 -5.09 113.70 108.35 2eli s SER 27 Ca 0.02 -1.03 -0.27 0.00 0.48 0.00 0.00 55.95 55.15 2eli s SER 27 Cb 0.11 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2eli s SER 27 CO 0.64 -0.35 1.82 -2.16 0.98 0.00 0.00 173.24 174.16 2eli s PRO 28 N -3.76 2.85 0.18 4.02 0.04 -1.26 -4.98 135.00 132.08 2eli s PRO 28 Ca 0.17 0.82 0.04 0.00 0.04 0.00 0.00 61.00 62.07 2eli s PRO 28 Cb 0.03 -4.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 2eli s PRO 28 CO 0.01 -2.45 0.28 0.99 0.04 0.00 0.00 177.00 175.86 2eli s THR 29 N 8.34 5.16 -0.11 1.26 2.01 -1.26 -4.96 115.64 126.07 2eli s THR 29 Ca 0.70 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 2eli s THR 29 Cb -0.15 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2eli s THR 29 CO 0.24 -0.16 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.59 2eli s PHE 30 N -1.82 2.97 0.71 4.92 0.08 -1.26 -0.16 117.98 123.42 2eli s PHE 30 Ca 0.34 -0.17 -0.14 0.00 0.12 0.00 0.00 56.93 57.08 2eli s PHE 30 Cb -0.10 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2eli s PHE 30 CO 0.28 0.14 1.15 0.00 -0.10 0.00 0.00 175.22 176.68 2eli n ASP 32 N -2.73 1.27 0.04 0.00 2.03 -0.84 -3.52 116.55 112.79 2eli n ASP 32 Ca 0.12 -0.02 -0.02 0.00 0.52 0.00 0.00 54.79 55.39 2eli n ASP 32 Cb 0.51 0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 41.55 2eli n ASP 32 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2eli h HIS 33 N 0.00 -0.10 0.15 -0.67 2.76 -1.94 -3.39 115.15 111.96 2eli h HIS 33 Ca -0.45 -0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.43 2eli h HIS 33 Cb 1.95 0.03 0.01 0.00 1.55 0.00 0.00 27.41 30.95 2eli h HIS 33 CO 0.00 -0.07 -1.43 0.00 -1.30 0.00 0.00 177.93 175.14 2eli n GLY 35 N 1.76 1.72 3.56 0.00 0.00 -1.23 -5.07 105.19 105.94 2eli n GLY 35 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2eli n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eli s SER 36 N -2.00 4.52 0.60 1.61 0.01 -1.26 -4.71 113.70 112.47 2eli s SER 36 Ca 0.00 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 56.99 2eli s SER 36 Cb 0.00 -1.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.09 2eli s SER 36 CO 0.00 0.34 0.78 -0.11 0.41 0.00 0.00 173.24 174.66 2eli n LEU 37 N 2.06 2.55 -4.34 2.44 7.94 -1.26 -1.46 117.00 124.93 2eli n LEU 37 Ca -0.17 0.76 -0.46 0.00 -1.11 0.00 0.00 56.01 55.03 2eli n LEU 37 Cb 0.53 -1.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 2eli n LEU 37 CO 0.27 -2.37 0.42 -0.76 -1.11 0.00 0.00 177.39 173.85 2eli s LEU 38 N -1.03 6.29 0.53 -1.96 1.43 0.78 -4.78 118.68 119.94 2eli s LEU 38 Ca 0.73 -2.27 -0.03 0.00 -1.03 0.00 0.00 54.13 51.53 2eli s LEU 38 Cb -0.42 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2eli s LEU 38 CO 0.50 -0.75 0.80 -0.72 0.23 0.00 0.00 176.35 176.40 2eli s TYR 39 N 1.05 3.25 0.00 0.29 -0.85 -1.26 -4.51 117.35 115.32 2eli s TYR 39 Ca 0.15 0.47 0.00 0.00 -0.52 0.00 0.00 57.07 57.18 2eli s TYR 39 Cb -0.16 -2.54 0.00 0.00 0.38 0.00 0.00 41.96 39.64 2eli s TYR 39 CO -0.05 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.79 2eli n GLY 40 N -2.36 3.91 0.14 5.49 0.00 -1.26 -4.68 105.19 106.43 2eli n GLY 40 Ca 0.03 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 2eli n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eli n LEU 41 N 0.00 2.37 -4.02 0.99 7.99 -1.26 -4.83 117.00 118.24 2eli n LEU 41 Ca 0.00 0.15 -0.25 0.00 -0.01 0.00 0.00 56.01 55.90 2eli n LEU 41 Cb 0.00 -0.86 -0.17 0.00 -0.11 0.00 0.00 43.42 42.28 2eli n LEU 41 CO 0.00 0.72 -0.47 -0.51 -1.51 0.00 0.00 177.39 175.62 2eli s ILE 42 N -2.51 1.13 -1.15 -0.08 -1.16 -1.26 -4.82 121.20 111.35 2eli s ILE 42 Ca -0.37 -0.47 -0.03 0.00 -0.51 0.00 0.00 60.65 59.27 2eli s ILE 42 Cb 0.12 -1.04 -0.03 0.00 0.61 0.00 0.00 42.46 42.13 2eli s ILE 42 CO 0.54 0.36 0.93 1.41 -2.81 0.00 0.00 174.94 175.36 2eli n HIS 43 N 3.90 -2.26 0.01 3.50 8.25 -1.26 -4.95 115.22 122.42 2eli n HIS 43 Ca -0.22 0.88 -0.01 0.00 -0.26 0.00 0.00 57.72 58.11 2eli n HIS 43 Cb 0.52 -4.57 -0.00 0.00 1.12 0.00 0.00 29.99 27.05 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 -1.58 -0.04 0.00 -0.41 4.20 -1.83 -3.47 115.11 111.98 2eli h GLN 44 Ca -0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.11 2eli h GLN 44 Cb 1.33 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.12 2eli h GLN 44 CO 0.48 -0.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.02 2eli n GLY 45 N -1.03 6.27 3.58 3.46 0.00 -1.26 -4.65 105.19 111.57 2eli n GLY 45 Ca -0.01 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 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 0.77 2.12 -0.03 1.61 -1.94 -0.16 -3.22 119.30 118.44 2eli s MET 46 Ca 0.00 -1.21 0.01 0.00 -1.71 0.00 0.00 55.69 52.78 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 0.00 0.45 -0.05 0.21 -0.01 0.00 0.00 175.02 175.62 2eli s LYS 47 N -2.75 0.72 0.75 2.03 2.20 -1.13 -2.81 119.74 118.74 2eli s LYS 47 Ca 0.25 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.62 2eli s LYS 47 Cb -0.09 -0.74 0.04 0.00 -1.51 0.00 0.00 37.83 35.53 2eli s LYS 47 CO 0.15 -0.03 1.10 0.00 -0.36 0.00 0.00 175.35 176.22 2eli n ASP 49 N -3.19 0.85 -0.04 0.00 8.00 -1.15 -3.51 116.55 117.51 2eli n ASP 49 Ca 0.07 -0.92 -0.07 0.00 0.71 0.00 0.00 54.79 54.58 2eli n ASP 49 Cb 0.57 0.85 -0.04 0.00 -0.02 0.00 0.00 41.12 42.48 2eli n ASP 49 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2eli n THR 50 N -0.98 0.48 -0.02 -3.53 5.66 -1.26 -4.70 114.28 109.93 2eli n THR 50 Ca 0.03 -0.17 0.06 0.00 -3.05 0.00 0.00 64.05 60.93 2eli n THR 50 Cb 0.22 -0.98 0.14 0.00 -1.55 0.00 0.00 70.33 68.17 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 0.66 -0.80 -4.81 0.00 5.75 -1.23 -4.83 116.55 111.29 2eli n ASP 52 Ca 0.12 -0.82 -0.34 0.00 -0.01 0.00 0.00 54.79 53.74 2eli n ASP 52 Cb 0.42 -1.04 -0.05 0.00 -1.03 0.00 0.00 41.12 39.41 2eli n ASP 52 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2eli s MET 53 N -5.25 4.06 -0.30 0.11 1.75 -1.26 -4.68 119.30 113.73 2eli s MET 53 Ca 0.43 1.25 0.02 0.00 -1.25 0.00 0.00 55.69 56.14 2eli s MET 53 Cb -0.25 -2.19 0.07 0.00 2.84 0.00 0.00 34.83 35.30 2eli s MET 53 CO 0.67 -0.19 -0.03 -0.80 -0.65 0.00 0.00 175.02 174.02 2eli s ASN 54 N -2.05 4.66 0.26 1.11 -0.87 -1.26 -2.48 114.94 114.32 2eli s ASN 54 Ca 0.64 -1.59 0.01 0.00 -1.57 0.00 0.00 52.86 50.35 2eli s ASN 54 Cb -0.13 -1.62 -0.05 0.00 -0.02 0.00 0.00 41.25 39.43 2eli s ASN 54 CO 0.17 -0.27 0.10 0.68 -2.57 0.00 0.00 177.10 175.21 2eli s VAL 55 N 1.09 0.50 0.66 1.60 -7.23 -1.12 -1.99 120.40 113.90 2eli s VAL 55 Ca -0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 2eli s VAL 55 Cb -0.20 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 2eli s VAL 55 CO -0.05 0.00 1.06 -1.00 -0.31 0.00 0.00 175.10 174.80 2eli s HIS 56 N -3.77 3.47 0.37 2.82 3.76 -1.26 -0.98 115.29 119.69 2eli s HIS 56 Ca 0.38 1.15 0.05 0.00 -0.15 0.00 0.00 55.06 56.49 2eli s HIS 56 Cb 0.08 -2.89 0.74 0.00 1.11 0.00 0.00 32.58 31.61 2eli s HIS 56 CO 0.14 -0.94 2.00 -0.22 -0.85 0.00 0.00 174.74 174.87 2eli h LYS 57 N -0.48 0.72 -0.00 1.40 3.64 -1.91 0.22 116.57 120.16 2eli h LYS 57 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2eli h LYS 57 Cb 1.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2eli h LYS 57 CO 0.63 0.48 -0.29 0.00 -2.27 0.00 0.00 179.45 178.00 2eli n GLN 58 N -4.46 0.58 0.04 1.90 10.64 -1.26 -3.91 117.38 120.91 2eli n GLN 58 Ca 0.08 -0.31 -0.20 0.00 -1.83 0.00 0.00 57.00 54.74 2eli n GLN 58 Cb 0.14 -1.49 -0.14 0.00 -0.86 0.00 0.00 30.24 27.88 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 0.08 0.95 -0.71 0.00 -1.51 -1.44 -0.23 116.25 113.38 2eli h VAL 60 Ca -0.34 -0.33 0.12 0.00 -1.23 0.00 0.00 66.70 64.92 2eli h VAL 60 Cb 2.06 -0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 31.07 2eli h VAL 60 CO 0.14 0.18 0.47 -0.29 -1.23 0.00 0.00 177.57 176.84 2eli h ILE 61 N 0.96 0.86 0.13 7.19 -0.00 -1.74 -2.26 117.51 122.66 2eli h ILE 61 Ca 0.45 -0.17 -0.18 0.00 -0.00 0.00 0.00 64.86 64.97 2eli h ILE 61 Cb 0.39 0.34 0.02 0.00 -0.00 0.00 0.00 36.82 37.56 2eli h ILE 61 CO -0.24 0.09 -0.77 0.78 -0.00 0.00 0.00 178.15 178.00 2eli h ASN 62 N 0.49 0.44 -1.38 2.19 2.35 -1.26 -3.47 115.58 114.94 2eli h ASN 62 Ca 0.34 -0.96 -0.65 0.00 -0.55 0.00 0.00 56.30 54.48 2eli h ASN 62 Cb 0.65 -0.14 0.11 0.00 0.05 0.00 0.00 38.32 38.99 2eli h ASN 62 CO -0.11 1.37 -0.38 0.52 -1.65 0.00 0.00 177.43 177.18 2eli n VAL 63 N -4.15 1.97 -2.13 2.81 0.31 -0.50 -4.82 118.33 111.82 2eli n VAL 63 Ca -0.14 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.27 2eli n VAL 63 Cb 0.80 -0.24 -0.03 0.00 -0.91 0.00 0.00 33.84 33.47 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 -1.14 4.07 0.14 5.55 0.04 -1.26 -4.89 135.00 137.51 2eli s PRO 64 Ca 0.63 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 63.51 2eli s PRO 64 Cb -0.87 -3.95 0.20 0.00 0.04 0.00 0.00 34.50 29.92 2eli s PRO 64 CO 0.57 -0.96 0.81 0.45 0.04 0.00 0.00 177.00 177.91 2eli n SER 65 N 7.44 -0.24 -4.36 6.66 2.88 -1.26 -4.41 113.62 120.33 2eli n SER 65 Ca 0.17 0.90 -0.37 0.00 -1.33 0.00 0.00 58.87 58.24 2eli n SER 65 Cb 0.44 -0.25 0.05 0.00 -0.75 0.00 0.00 64.21 63.70 2eli n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eli n LEU 66 N -4.82 -1.09 -3.55 2.46 -0.00 -1.24 -1.36 117.00 107.40 2eli n LEU 66 Ca 0.07 0.58 -0.15 0.00 -0.00 0.00 0.00 56.01 56.52 2eli n LEU 66 Cb 0.24 -1.06 -0.06 0.00 -0.00 0.00 0.00 43.42 42.54 2eli n LEU 66 CO -0.07 -3.86 0.58 0.00 -0.00 0.00 0.00 177.39 174.05 2eli n GLY 68 N 0.94 0.31 3.65 0.00 0.00 -1.26 -4.71 105.19 104.11 2eli n GLY 68 Ca -0.15 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 2eli n GLY 68 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2eli s MET 69 N 0.00 0.19 -0.29 1.61 0.23 -1.26 -5.15 119.30 114.63 2eli s MET 69 Ca 0.00 0.27 -0.16 0.00 -1.03 0.00 0.00 55.69 54.77 2eli s MET 69 Cb 0.00 0.08 0.18 0.00 -1.53 0.00 0.00 34.83 33.55 2eli s MET 69 CO 0.00 -0.03 1.11 0.34 -2.03 0.00 0.00 175.02 174.41 2eli s ASP 70 N 0.49 -0.30 0.09 -1.18 -1.08 -1.26 -5.07 116.67 108.36 2eli s ASP 70 Ca 0.01 0.48 -0.19 0.00 -0.52 0.00 0.00 52.55 52.33 2eli s ASP 70 Cb -0.04 1.14 -0.05 0.00 -1.46 0.00 0.00 42.92 42.51 2eli s ASP 70 CO -0.12 -0.07 1.32 -0.74 0.52 0.00 0.00 175.17 176.07 2eli h HIS 71 N 5.72 -1.07 -2.81 -5.34 -0.00 -2.05 -3.39 115.15 106.21 2eli h HIS 71 Ca -0.27 0.06 -0.64 0.00 -0.00 0.00 0.00 60.37 59.53 2eli h HIS 71 Cb 1.17 0.52 -0.06 0.00 -0.00 0.00 0.00 27.41 29.05 2eli h HIS 71 CO 0.15 -0.24 -0.38 0.99 -0.00 0.00 0.00 177.93 178.44 2eli s THR 72 N -4.49 5.33 -0.06 6.26 2.01 -1.26 -4.99 115.64 118.44 2eli s THR 72 Ca -0.08 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.34 2eli s THR 72 Cb 0.06 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 2eli s THR 72 CO 0.36 0.52 0.08 -0.62 -0.69 0.00 0.00 174.62 174.28 2eli n GLU 73 N 1.65 1.89 -3.60 4.92 1.02 -1.26 -5.07 120.64 120.19 2eli n GLU 73 Ca -0.16 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.85 2eli n GLU 73 Cb 0.54 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 2eli n GLU 73 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2eli s LYS 74 N -2.33 1.20 -0.10 3.49 2.20 -1.26 -5.16 119.74 117.77 2eli s LYS 74 Ca -0.04 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2eli s LYS 74 Cb 0.03 0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 2eli s LYS 74 CO 0.35 -0.50 -0.09 1.03 -0.36 0.00 0.00 175.35 175.78 2eli s ARG 75 N -3.81 3.05 0.29 4.03 0.52 -1.26 -5.10 118.95 116.67 2eli s ARG 75 Ca 0.04 -0.60 -0.19 0.00 -0.52 0.00 0.00 55.73 54.46 2eli s ARG 75 Cb 0.00 -2.63 0.07 0.00 0.52 0.00 0.00 34.95 32.91 2eli s ARG 75 CO -0.10 0.46 0.92 0.20 0.02 0.00 0.00 175.30 176.79 2eli s GLY 76 N -0.27 0.26 -0.27 -3.53 0.00 -1.26 -5.14 107.32 97.11 2eli s GLY 76 Ca 0.03 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 2eli s GLY 76 CO 0.03 1.13 0.21 0.50 0.00 0.00 0.00 173.10 174.97 2eli s ARG 77 N -2.17 3.97 -0.15 2.90 1.81 -1.26 -5.08 118.95 118.97 2eli s ARG 77 Ca 0.19 -0.27 -0.07 0.00 -1.72 0.00 0.00 55.73 53.86 2eli s ARG 77 Cb -0.04 -3.65 -0.04 0.00 -0.45 0.00 0.00 34.95 30.77 2eli s ARG 77 CO 0.09 -0.17 0.09 0.42 -0.68 0.00 0.00 175.30 175.05 2eli s ILE 78 N 1.73 5.06 -0.67 1.52 1.09 -1.26 -5.01 121.20 123.67 2eli s ILE 78 Ca 0.08 0.05 -0.00 0.00 -1.10 0.00 0.00 60.65 59.68 2eli s ILE 78 Cb -0.16 -3.24 0.41 0.00 -1.06 0.00 0.00 42.46 38.41 2eli s ILE 78 CO 0.10 0.53 1.85 -1.22 -0.10 0.00 0.00 174.94 176.11 2eli n TYR 79 N 2.83 3.11 -4.12 3.97 4.01 -1.26 -4.89 117.16 120.81 2eli n TYR 79 Ca -0.18 -2.70 -0.34 0.00 -0.16 0.00 0.00 57.90 54.53 2eli n TYR 79 Cb 0.53 -1.11 -0.07 0.00 -0.31 0.00 0.00 39.34 38.38 2eli n TYR 79 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2eli n LEU 80 N -0.72 -0.76 -4.55 7.72 7.94 -1.26 -4.72 117.00 120.65 2eli n LEU 80 Ca 0.55 -1.09 -0.38 0.00 -1.11 0.00 0.00 56.01 53.99 2eli n LEU 80 Cb 0.54 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 2eli n LEU 80 CO 0.61 0.19 1.82 -0.75 -1.11 0.00 0.00 177.39 178.14 2eli s LYS 81 N -6.54 2.41 0.42 1.96 2.36 -1.26 -4.95 119.74 114.13 2eli s LYS 81 Ca 0.49 1.08 0.08 0.00 -2.55 0.00 0.00 55.97 55.07 2eli s LYS 81 Cb -0.29 -4.48 -0.03 0.00 -1.05 0.00 0.00 37.83 31.99 2eli s LYS 81 CO 0.88 -2.95 0.34 0.00 1.55 0.00 0.00 175.35 175.17 2eli s ALA 82 N 10.53 3.97 0.32 3.13 0.00 -1.26 -5.15 121.76 133.30 2eli s ALA 82 Ca 0.84 -1.93 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2eli s ALA 82 Cb -0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2eli s ALA 82 CO 0.24 -0.21 0.29 -1.21 0.00 0.00 0.00 175.76 174.87 2eli s GLU 83 N -4.09 1.73 -0.90 0.00 8.01 -1.26 -4.87 118.70 117.32 2eli s GLU 83 Ca 0.47 -1.94 -0.11 0.00 0.01 0.00 0.00 54.97 53.39 2eli s GLU 83 Cb -0.02 0.34 0.11 0.00 -4.31 0.00 0.00 34.13 30.26 2eli s GLU 83 CO 0.27 -0.65 0.29 1.55 0.01 0.00 0.00 175.26 176.73 2eli n VAL 84 N -0.58 0.00 0.00 2.63 3.14 -1.26 -5.34 118.33 116.92 2eli n VAL 84 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2eli n VAL 84 Cb 0.63 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 2eli n VAL 84 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37