#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ogk s ILE 6 N 0.00 5.02 0.01 0.58 1.10 -1.26 -1.81 121.20 124.83 2ogk s ILE 6 Ca 0.00 0.21 -0.05 0.00 -0.51 0.00 0.00 60.65 60.29 2ogk s ILE 6 Cb 0.00 -3.98 -0.03 0.00 0.15 0.00 0.00 42.46 38.60 2ogk s ILE 6 CO 0.00 -0.27 1.08 -0.08 -2.11 0.00 0.00 174.94 173.57 2ogk h GLU 7 N 8.53 -0.18 -4.20 3.50 4.57 -0.97 -3.47 114.58 122.36 2ogk h GLU 7 Ca -0.28 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.79 2ogk h GLU 7 Cb 1.12 0.04 -0.15 0.00 -0.16 0.00 0.00 28.75 29.60 2ogk h GLU 7 CO 0.78 -0.12 -0.62 1.67 -1.18 0.00 0.00 179.01 179.54 2ogk s TRP 8 N -3.43 0.51 -0.10 0.92 1.48 -1.26 -4.86 118.94 112.21 2ogk s TRP 8 Ca -0.03 -1.02 0.02 0.00 -1.06 0.00 0.00 56.10 54.01 2ogk s TRP 8 Cb 0.00 -0.35 0.01 0.00 -1.16 0.00 0.00 33.47 31.98 2ogk s TRP 8 CO 0.09 -0.43 -0.14 0.08 -4.06 0.00 0.00 176.95 172.49 2ogk s VAL 9 N -3.93 1.39 -0.06 -0.66 1.01 -1.00 -1.40 120.40 115.74 2ogk s VAL 9 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2ogk s VAL 9 Cb 0.07 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.20 2ogk s VAL 9 CO -0.08 0.42 -0.04 -0.13 0.00 0.00 0.00 175.10 175.26 2ogk s ARG 10 N 0.92 0.94 -0.25 2.72 0.52 -0.82 -0.74 118.95 122.24 2ogk s ARG 10 Ca -0.09 -0.09 -0.03 0.00 -0.52 0.00 0.00 55.73 55.00 2ogk s ARG 10 Cb -0.15 -1.04 0.01 0.00 0.52 0.00 0.00 34.95 34.30 2ogk s ARG 10 CO 0.00 -0.16 -0.03 0.08 0.02 0.00 0.00 175.30 175.20 2ogk s VAL 11 N 1.32 3.20 0.41 3.52 1.01 0.17 -1.51 120.40 128.51 2ogk s VAL 11 Ca -0.04 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.17 2ogk s VAL 11 Cb -0.14 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 2ogk s VAL 11 CO -0.02 0.25 0.04 -0.94 0.00 0.00 0.00 175.10 174.42 2ogk s SER 12 N 1.40 3.38 0.09 3.32 1.04 -0.24 -0.37 113.70 122.32 2ogk s SER 12 Ca 0.02 -1.46 -0.26 0.00 0.48 0.00 0.00 55.95 54.73 2ogk s SER 12 Cb -0.16 -0.02 0.08 0.00 0.10 0.00 0.00 66.02 66.02 2ogk s SER 12 CO -0.03 -0.63 0.85 0.00 0.98 0.00 0.00 173.24 174.41 2ogk s ALA 13 N -2.97 -1.70 0.11 5.32 0.00 0.21 -1.07 121.76 121.67 2ogk s ALA 13 Ca 0.28 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.90 2ogk s ALA 13 Cb 0.07 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 2ogk s ALA 13 CO 0.14 -0.83 -0.18 0.08 0.00 0.00 0.00 175.76 174.97 2ogk s VAL 14 N -3.32 2.87 -0.17 0.00 1.01 -1.26 -1.16 120.40 118.36 2ogk s VAL 14 Ca 0.07 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2ogk s VAL 14 Cb -0.01 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2ogk s VAL 14 CO -0.05 0.13 -0.08 -0.69 0.00 0.00 0.00 175.10 174.41 2ogk s VAL 15 N -1.12 1.33 0.48 2.92 1.01 -0.34 -4.97 120.40 119.71 2ogk s VAL 15 Ca 0.18 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 2ogk s VAL 15 Cb -0.11 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 2ogk s VAL 15 CO 0.10 0.18 0.93 -1.00 0.00 0.00 0.00 175.10 175.31 2ogk s HIS 16 N 1.54 3.45 0.34 5.22 3.76 -1.26 -2.44 115.29 125.90 2ogk s HIS 16 Ca 0.01 1.37 0.14 0.00 -0.15 0.00 0.00 55.06 56.43 2ogk s HIS 16 Cb -0.15 -2.71 1.11 0.00 1.11 0.00 0.00 32.58 31.94 2ogk s HIS 16 CO -0.08 -0.29 1.63 0.77 -0.85 0.00 0.00 174.74 175.92 2ogk h SER 17 N 1.05 0.34 -0.15 1.40 0.02 -1.98 0.30 113.55 114.53 2ogk h SER 17 Ca -0.47 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2ogk h SER 17 Cb 1.18 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2ogk h SER 17 CO 0.62 -0.24 0.00 0.35 -1.14 0.00 0.00 176.83 176.42 2ogk n THR 18 N -5.16 0.19 -3.18 -2.27 -2.24 -1.26 -4.91 114.28 95.45 2ogk n THR 18 Ca 0.32 -0.34 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 2ogk n THR 18 Cb 1.03 0.40 0.01 0.00 -2.10 0.00 0.00 70.33 69.67 2ogk n THR 18 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ogk s GLU 19 N -1.81 3.03 -0.26 -0.78 2.02 0.10 -5.10 118.70 115.91 2ogk s GLU 19 Ca 0.33 -0.79 -0.08 0.00 0.02 0.00 0.00 54.97 54.45 2ogk s GLU 19 Cb 0.18 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 2ogk s GLU 19 CO 0.27 -0.16 0.09 0.34 0.02 0.00 0.00 175.26 175.82 2ogk s ASP 20 N -4.22 5.25 0.52 -0.19 -1.08 -1.26 -4.84 116.67 110.84 2ogk s ASP 20 Ca 0.48 -0.23 0.25 0.00 -0.52 0.00 0.00 52.55 52.53 2ogk s ASP 20 Cb -0.10 -1.95 1.41 0.00 -1.46 0.00 0.00 42.92 40.82 2ogk s ASP 20 CO 0.35 -0.05 2.08 0.08 0.52 0.00 0.00 175.17 178.14 2ogk h ARG 21 N 8.26 0.00 -0.12 4.34 0.11 -1.98 -1.29 114.38 123.70 2ogk h ARG 21 Ca -0.37 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.67 2ogk h ARG 21 Cb 1.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 2ogk h ARG 21 CO 0.58 0.12 -0.07 0.93 0.10 0.00 0.00 179.97 181.63 2ogk h GLU 22 N 0.00 0.25 -0.88 0.08 5.08 -1.99 -1.33 114.58 115.80 2ogk h GLU 22 Ca -0.00 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2ogk h GLU 22 Cb 0.29 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2ogk h GLU 22 CO 0.02 0.62 0.49 0.87 -1.00 0.00 0.00 179.01 180.00 2ogk h LYS 23 N -0.11 1.22 -0.31 2.33 1.57 -1.81 -0.52 116.57 118.94 2ogk h LYS 23 Ca 0.02 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 2ogk h LYS 23 Cb 0.55 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2ogk h LYS 23 CO 0.02 0.89 -0.15 0.28 -0.57 0.00 0.00 179.45 179.92 2ogk h VAL 24 N 1.22 1.24 -0.15 0.50 2.07 -1.21 -2.01 116.25 117.91 2ogk h VAL 24 Ca 0.31 -1.10 -0.18 0.00 0.82 0.00 0.00 66.70 66.55 2ogk h VAL 24 Cb 0.02 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2ogk h VAL 24 CO -0.05 0.36 -0.63 1.23 0.02 0.00 0.00 177.57 178.50 2ogk h GLY 25 N 0.96 0.60 1.04 2.17 0.00 -0.70 -2.91 103.07 104.22 2ogk h GLY 25 Ca 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 2ogk h GLY 25 CO 0.04 0.68 0.39 -2.09 0.00 0.00 0.00 176.54 175.55 2ogk h GLU 26 N 0.40 1.19 0.00 4.80 4.81 -0.74 -1.45 114.58 123.59 2ogk h GLU 26 Ca -0.01 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 2ogk h GLU 26 Cb 1.20 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 2ogk h GLU 26 CO 0.12 0.92 -0.15 0.00 -0.73 0.00 0.00 179.01 179.17 2ogk h ALA 27 N 1.21 1.54 0.00 2.92 0.00 -1.29 -0.74 119.26 122.90 2ogk h ALA 27 Ca 0.28 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2ogk h ALA 27 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ogk h ALA 27 CO -0.03 0.19 -0.83 0.82 0.00 0.00 0.00 179.25 179.39 2ogk h ILE 28 N 0.00 1.54 -0.77 0.00 2.04 -1.10 -3.18 117.51 116.04 2ogk h ILE 28 Ca -0.00 -2.90 -0.01 0.00 1.00 0.00 0.00 64.86 62.95 2ogk h ILE 28 Cb 0.31 2.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.94 2ogk h ILE 28 CO 0.02 0.82 0.46 0.28 0.00 0.00 0.00 178.15 179.72 2ogk h SER 29 N 0.00 0.93 -0.28 1.72 0.02 -0.26 -1.86 113.55 113.82 2ogk h SER 29 Ca -0.01 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2ogk h SER 29 Cb 1.52 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2ogk h SER 29 CO 0.11 0.73 0.67 0.74 -1.14 0.00 0.00 176.83 177.94 2ogk h THR 30 N 1.06 0.09 0.00 -2.27 2.02 -1.46 0.42 112.91 112.77 2ogk h THR 30 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.46 2ogk h THR 30 Cb -0.02 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2ogk h THR 30 CO -0.05 0.00 -0.68 0.18 0.37 0.00 0.00 175.52 175.34 2ogk n LEU 31 N -3.06 0.63 -4.48 2.58 4.77 -0.70 -4.90 117.00 111.84 2ogk n LEU 31 Ca 0.05 -0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 2ogk n LEU 31 Cb 0.78 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.57 2ogk n LEU 31 CO 0.16 0.13 -0.40 -0.36 -1.33 0.00 0.00 177.39 175.59 2ogk s PHE 32 N -3.04 2.90 -2.41 -1.77 0.08 0.15 -4.80 117.98 109.10 2ogk s PHE 32 Ca 0.09 -0.29 0.22 0.00 0.12 0.00 0.00 56.93 57.07 2ogk s PHE 32 Cb 0.17 -1.81 0.51 0.00 -0.57 0.00 0.00 43.02 41.31 2ogk s PHE 32 CO 0.75 0.04 1.44 -0.35 -0.10 0.00 0.00 175.22 177.00 2ogk n PRO 33 N 3.01 2.30 -3.90 0.24 -0.04 -1.26 -4.95 135.00 130.40 2ogk n PRO 33 Ca -0.18 -1.97 -0.09 0.00 -0.04 0.00 0.00 63.50 61.22 2ogk n PRO 33 Cb 0.53 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2ogk n PRO 33 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ogk s PHE 34 N -1.56 0.25 0.49 0.54 -0.12 -1.26 -5.15 117.98 111.18 2ogk s PHE 34 Ca 0.37 -0.61 -0.24 0.00 -0.05 0.00 0.00 56.93 56.40 2ogk s PHE 34 Cb 0.21 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.62 2ogk s PHE 34 CO 0.30 -0.79 1.39 -1.21 -0.05 0.00 0.00 175.22 174.86 2ogk s GLU 35 N -3.95 3.44 0.22 1.99 0.41 -1.26 -5.03 118.70 114.53 2ogk s GLU 35 Ca 0.15 2.33 -0.11 0.00 -0.41 0.00 0.00 54.97 56.93 2ogk s GLU 35 Cb 0.02 -2.47 -0.01 0.00 -1.78 0.00 0.00 34.13 29.89 2ogk s GLU 35 CO -0.00 -0.98 0.39 -0.59 -0.49 0.00 0.00 175.26 173.59 2ogk s PHE 36 N -1.25 0.45 0.02 1.61 -0.12 -1.26 -5.17 117.98 112.25 2ogk s PHE 36 Ca 0.66 -0.79 0.05 0.00 -0.05 0.00 0.00 56.93 56.80 2ogk s PHE 36 Cb -0.42 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 41.99 2ogk s PHE 36 CO 0.52 -0.89 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.46 2ogk s GLU 37 N -4.02 2.28 -0.21 1.99 0.41 -1.26 -5.12 118.70 112.78 2ogk s GLU 37 Ca 0.23 -0.87 -0.02 0.00 -0.41 0.00 0.00 54.97 53.90 2ogk s GLU 37 Cb 0.01 -2.32 -0.00 0.00 -1.78 0.00 0.00 34.13 30.04 2ogk s GLU 37 CO 0.07 0.57 -0.09 0.42 -0.49 0.00 0.00 175.26 175.74 2ogk s ILE 38 N -0.94 3.00 -0.41 -1.63 1.01 -1.26 -4.46 121.20 116.50 2ogk s ILE 38 Ca 0.15 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 2ogk s ILE 38 Cb -0.11 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.04 2ogk s ILE 38 CO 0.06 0.46 0.55 0.00 0.00 0.00 0.00 174.94 176.00 2ogk s ALA 39 N 1.42 3.41 0.42 9.38 0.00 0.05 -4.90 121.76 131.53 2ogk s ALA 39 Ca 0.06 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 2ogk s ALA 39 Cb -0.14 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 2ogk s ALA 39 CO -0.06 -1.57 0.81 0.08 0.00 0.00 0.00 175.76 175.02 2ogk s VAL 40 N 2.51 4.73 0.12 0.00 1.01 -1.26 -1.98 120.40 125.52 2ogk s VAL 40 Ca 0.19 0.76 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 2ogk s VAL 40 Cb -0.15 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2ogk s VAL 40 CO 0.16 -0.52 0.68 -1.54 0.00 0.00 0.00 175.10 173.88 2ogk n SER 41 N -1.27 -1.13 -4.70 3.32 3.41 -0.57 -4.94 113.62 107.74 2ogk n SER 41 Ca 0.03 -1.59 -0.25 0.00 -0.26 0.00 0.00 58.87 56.81 2ogk n SER 41 Cb 0.54 1.84 -0.07 0.00 -0.26 0.00 0.00 64.21 66.26 2ogk n SER 41 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2ogk s LYS 42 N -2.03 2.53 0.12 4.33 0.00 -1.26 -0.54 119.74 122.89 2ogk s LYS 42 Ca 0.15 -1.14 -0.11 0.00 0.00 0.00 0.00 55.97 54.86 2ogk s LYS 42 Cb -0.02 -2.38 0.04 0.00 0.00 0.00 0.00 37.83 35.47 2ogk s LYS 42 CO 0.04 0.43 0.55 0.00 0.00 0.00 0.00 175.35 176.36 2ogk n ALA 43 N -0.53 -1.41 -2.41 0.59 0.00 0.11 -4.72 120.51 112.14 2ogk n ALA 43 Ca -0.08 -0.60 -0.29 0.00 0.00 0.00 0.00 53.44 52.47 2ogk n ALA 43 Cb 0.56 0.36 -0.13 0.00 0.00 0.00 0.00 19.45 20.25 2ogk n ALA 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ogk s LYS 44 N -2.03 1.52 0.57 0.00 -0.14 -1.26 0.05 119.74 118.45 2ogk s LYS 44 Ca 0.12 -1.29 0.07 0.00 -1.36 0.00 0.00 55.97 53.51 2ogk s LYS 44 Cb -0.02 -1.96 0.08 0.00 -1.68 0.00 0.00 37.83 34.26 2ogk s LYS 44 CO 0.04 0.46 0.79 0.20 -0.76 0.00 0.00 175.35 176.08 2ogk s GLY 45 N -2.03 1.77 0.30 -3.33 0.00 -0.29 -4.82 107.32 98.93 2ogk s GLY 45 Ca 0.15 -1.97 0.18 0.00 0.00 0.00 0.00 44.72 43.08 2ogk s GLY 45 CO 0.07 -1.54 1.51 1.42 0.00 0.00 0.00 173.10 174.56 2ogk n HIS 46 N -2.29 0.61 -0.47 1.90 8.25 -1.26 0.73 115.22 122.69 2ogk n HIS 46 Ca 0.14 0.32 0.05 0.00 -0.26 0.00 0.00 57.72 57.97 2ogk n HIS 46 Cb 0.61 -0.94 0.11 0.00 1.12 0.00 0.00 29.99 30.88 2ogk n HIS 46 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ogk n TYR 47 N -2.15 0.24 -1.52 4.41 4.01 -1.26 -4.98 117.16 115.92 2ogk n TYR 47 Ca -0.01 -0.69 -0.08 0.00 -0.16 0.00 0.00 57.90 56.96 2ogk n TYR 47 Cb 0.12 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2ogk n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ogk n GLY 48 N -0.54 0.67 3.86 2.72 0.00 0.22 -5.03 105.19 107.10 2ogk n GLY 48 Ca 0.10 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2ogk n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ogk s ASN 49 N -2.84 6.68 -0.29 1.61 -0.87 -1.26 -4.63 114.94 113.35 2ogk s ASN 49 Ca 0.00 0.84 -0.33 0.00 -1.57 0.00 0.00 52.86 51.80 2ogk s ASN 49 Cb 0.00 -2.20 -0.10 0.00 -0.02 0.00 0.00 41.25 38.93 2ogk s ASN 49 CO 0.00 0.19 2.16 -2.65 -2.57 0.00 0.00 177.10 174.23 2ogk n PRO 50 N 1.02 1.43 -4.46 -0.60 -0.02 -1.26 -1.14 135.00 129.97 2ogk n PRO 50 Ca -0.09 0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 61.55 2ogk n PRO 50 Cb 0.52 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 2ogk n PRO 50 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2ogk s MET 51 N 6.02 1.87 -0.10 -0.52 1.75 0.11 -4.49 119.30 123.94 2ogk s MET 51 Ca 1.05 -1.81 -0.02 0.00 -1.25 0.00 0.00 55.69 53.66 2ogk s MET 51 Cb -0.70 -1.80 -0.03 0.00 2.84 0.00 0.00 34.83 35.13 2ogk s MET 51 CO 0.46 0.21 -0.00 -1.21 -0.65 0.00 0.00 175.02 173.82 2ogk s GLU 52 N -3.61 3.14 -0.09 4.11 2.02 -1.02 0.07 118.70 123.32 2ogk s GLU 52 Ca 0.32 -0.43 -0.00 0.00 0.02 0.00 0.00 54.97 54.88 2ogk s GLU 52 Cb -0.01 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 2ogk s GLU 52 CO 0.17 0.60 -0.06 -0.47 0.02 0.00 0.00 175.26 175.52 2ogk s TYR 53 N -0.60 2.96 -0.13 1.61 5.04 0.30 -1.20 117.35 125.33 2ogk s TYR 53 Ca 0.10 -0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 2ogk s TYR 53 Cb -0.12 -1.78 0.02 0.00 0.35 0.00 0.00 41.96 40.43 2ogk s TYR 53 CO 0.02 0.21 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.80 2ogk s LEU 54 N -0.45 1.65 0.04 6.97 1.43 -0.31 -1.51 118.68 126.50 2ogk s LEU 54 Ca 0.07 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 2ogk s LEU 54 Cb -0.12 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2ogk s LEU 54 CO 0.02 -0.03 -0.12 -0.70 0.23 0.00 0.00 176.35 175.75 2ogk s GLU 55 N 1.31 0.78 -0.07 1.70 2.12 -0.84 -0.62 118.70 123.08 2ogk s GLU 55 Ca 0.00 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.62 2ogk s GLU 55 Cb -0.14 -0.74 0.02 0.00 0.26 0.00 0.00 34.13 33.53 2ogk s GLU 55 CO -0.07 0.18 -0.09 0.08 -0.54 0.00 0.00 175.26 174.82 2ogk s VAL 56 N -0.93 0.96 -0.02 3.70 1.01 0.51 -0.77 120.40 124.85 2ogk s VAL 56 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2ogk s VAL 56 Cb -0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2ogk s VAL 56 CO 0.01 0.33 -0.21 -0.70 0.00 0.00 0.00 175.10 174.53 2ogk s GLU 57 N 1.01 2.24 -0.07 2.72 2.12 -1.26 -0.66 118.70 124.80 2ogk s GLU 57 Ca -0.09 -0.86 0.05 0.00 0.36 0.00 0.00 54.97 54.44 2ogk s GLU 57 Cb -0.15 -2.18 -0.00 0.00 0.26 0.00 0.00 34.13 32.06 2ogk s GLU 57 CO -0.00 0.58 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.57 2ogk s LEU 58 N -0.78 2.01 0.00 2.70 1.43 0.08 -4.96 118.68 119.15 2ogk s LEU 58 Ca 0.11 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2ogk s LEU 58 Cb -0.10 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2ogk s LEU 58 CO 0.00 0.18 0.00 0.35 0.23 0.00 0.00 176.35 177.11 2ogk n THR 59 N 3.29 0.00 -2.43 5.49 -2.24 -1.26 -2.38 114.28 114.75 2ogk n THR 59 Ca -0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 2ogk n THR 59 Cb 0.52 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 2ogk n THR 59 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ogk s LYS 60 N -1.72 4.24 0.59 -0.78 1.02 -1.26 -4.89 119.74 116.95 2ogk s LYS 60 Ca 0.00 1.66 0.29 0.00 0.02 0.00 0.00 55.97 57.94 2ogk s LYS 60 Cb 0.00 -3.74 1.64 0.00 -0.52 0.00 0.00 37.83 35.21 2ogk s LYS 60 CO 0.00 -0.68 2.08 0.77 -0.92 0.00 0.00 175.35 176.60 2ogk h SER 61 N 8.13 0.00 0.00 2.83 0.02 -1.95 0.81 113.55 123.39 2ogk h SER 61 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2ogk h SER 61 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2ogk h SER 61 CO 0.96 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 176.41 2ogk n SER 62 N -3.78 0.00 -0.36 3.07 2.88 -1.26 0.10 113.62 114.27 2ogk n SER 62 Ca 0.02 0.80 0.01 0.00 -1.33 0.00 0.00 58.87 58.37 2ogk n SER 62 Cb 0.36 -0.30 0.15 0.00 -0.75 0.00 0.00 64.21 63.67 2ogk n SER 62 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2ogk h GLU 63 N 0.00 1.16 0.24 -1.46 5.08 -1.74 -1.90 114.58 115.96 2ogk h GLU 63 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2ogk h GLU 63 Cb 0.00 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2ogk h GLU 63 CO 0.00 0.77 -0.22 0.82 -1.00 0.00 0.00 179.01 179.38 2ogk h ILE 64 N 1.20 0.00 -0.81 3.13 2.04 0.78 0.17 117.51 124.03 2ogk h ILE 64 Ca 0.40 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.37 2ogk h ILE 64 Cb 0.06 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.06 2ogk h ILE 64 CO -0.14 0.00 0.44 0.11 0.00 0.00 0.00 178.15 178.55 2ogk h LYS 65 N -0.46 0.68 -0.29 2.37 1.79 -0.26 -0.86 116.57 119.54 2ogk h LYS 65 Ca -0.03 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.43 2ogk h LYS 65 Cb 0.39 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 2ogk h LYS 65 CO -0.02 0.45 0.11 -0.22 -1.08 0.00 0.00 179.45 178.69 2ogk h LYS 66 N 0.70 0.24 0.48 3.15 3.64 -1.22 -2.02 116.57 121.53 2ogk h LYS 66 Ca 0.41 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 2ogk h LYS 66 Cb 0.46 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2ogk h LYS 66 CO -0.29 0.16 -0.49 0.35 -2.27 0.00 0.00 179.45 176.91 2ogk h PHE 67 N 0.25 -1.36 -0.82 1.91 3.57 0.34 -1.80 116.94 119.04 2ogk h PHE 67 Ca 0.13 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.76 2ogk h PHE 67 Cb 0.08 0.53 -0.08 0.00 2.79 0.00 0.00 35.95 39.26 2ogk h PHE 67 CO -0.12 -0.65 0.43 2.35 -2.23 0.00 0.00 178.31 178.08 2ogk h TRP 68 N -0.97 0.76 0.34 0.41 2.91 -1.13 0.17 115.95 118.43 2ogk h TRP 68 Ca -0.06 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 2ogk h TRP 68 Cb 0.85 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 2ogk h TRP 68 CO -0.26 0.23 -0.17 0.87 -1.03 0.00 0.00 178.44 178.09 2ogk h LYS 69 N 0.66 -0.45 0.32 2.65 1.79 -1.20 -0.54 116.57 119.80 2ogk h LYS 69 Ca 0.42 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.93 2ogk h LYS 69 Cb 0.53 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 2ogk h LYS 69 CO -0.32 -0.28 -0.32 -0.97 -1.08 0.00 0.00 179.45 176.48 2ogk h ASN 70 N -0.49 -0.88 -0.63 0.86 -0.00 -0.83 -0.86 115.58 112.76 2ogk h ASN 70 Ca -0.05 0.08 0.12 0.00 -0.00 0.00 0.00 56.30 56.45 2ogk h ASN 70 Cb 0.37 0.30 -0.12 0.00 -0.00 0.00 0.00 38.32 38.87 2ogk h ASN 70 CO 0.08 -0.46 -0.29 0.25 -0.00 0.00 0.00 177.43 177.01 2ogk h LEU 71 N -0.67 -1.00 -0.90 0.34 5.85 -0.59 0.30 115.31 118.63 2ogk h LEU 71 Ca -0.02 0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2ogk h LEU 71 Cb 0.61 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 2ogk h LEU 71 CO -0.07 -0.28 0.57 -0.07 -0.34 0.00 0.00 178.44 178.25 2ogk h LEU 72 N -0.11 0.89 0.71 2.25 3.38 -0.81 -0.90 115.31 120.72 2ogk h LEU 72 Ca 0.26 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2ogk h LEU 72 Cb 0.54 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2ogk h LEU 72 CO -0.69 0.56 -0.34 -0.08 0.09 0.00 0.00 178.44 177.97 2ogk h GLU 73 N 1.02 -0.91 -0.75 1.13 4.81 0.69 -2.17 114.58 118.39 2ogk h GLU 73 Ca 0.40 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.81 2ogk h GLU 73 Cb 0.20 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 2ogk h GLU 73 CO -0.18 -0.58 0.36 -0.07 -0.73 0.00 0.00 179.01 177.80 2ogk h LEU 74 N -1.06 0.43 -0.66 1.64 3.38 -0.28 -1.93 115.31 116.83 2ogk h LEU 74 Ca -0.10 0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2ogk h LEU 74 Cb 0.75 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2ogk h LEU 74 CO 0.16 0.22 0.40 -0.07 0.09 0.00 0.00 178.44 179.23 2ogk h LEU 75 N 0.57 0.64 0.00 1.67 3.38 -1.10 -3.45 115.31 117.01 2ogk h LEU 75 Ca 0.39 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2ogk h LEU 75 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ogk h LEU 75 CO -0.32 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2ogk n GLY 76 N -1.28 1.41 0.15 0.83 0.00 -0.73 -2.94 105.19 102.63 2ogk n GLY 76 Ca 0.07 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.51 2ogk n GLY 76 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ogk n GLU 77 N 5.87 0.07 0.29 1.61 -0.00 -1.26 -1.07 120.64 126.15 2ogk n GLU 77 Ca 0.00 0.52 0.18 0.00 -0.00 0.00 0.00 57.16 57.86 2ogk n GLU 77 Cb 0.00 -2.11 0.87 0.00 -0.00 0.00 0.00 31.44 30.20 2ogk n GLU 77 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2ogk h GLN 78 N 0.00 0.00 0.00 3.44 4.20 -1.92 -2.57 115.11 118.25 2ogk h GLN 78 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ogk h GLN 78 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2ogk h GLN 78 CO 0.00 0.04 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 2ogk n ALA 79 N -2.15 1.30 0.08 3.87 0.00 -0.23 -1.38 120.51 121.99 2ogk n ALA 79 Ca -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2ogk n ALA 79 Cb 0.21 -1.33 0.17 0.00 0.00 0.00 0.00 19.45 18.50 2ogk n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ogk h GLU 80 N 0.00 0.29 -0.07 0.00 -0.00 -1.70 -2.53 114.58 110.56 2ogk h GLU 80 Ca 0.00 -0.16 -0.12 0.00 -0.00 0.00 0.00 59.36 59.08 2ogk h GLU 80 Cb 0.15 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 2ogk h GLU 80 CO 0.00 0.71 -0.50 1.05 -0.00 0.00 0.00 179.01 180.27 2ogk h GLU 81 N 0.23 0.19 0.08 1.06 4.11 -1.44 -2.51 114.58 116.31 2ogk h GLU 81 Ca 0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 2ogk h GLU 81 Cb 0.94 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2ogk h GLU 81 CO 0.08 0.66 -0.04 0.82 0.07 0.00 0.00 179.01 180.59 2ogk h ILE 82 N 0.15 1.11 -0.47 -1.06 2.04 -1.51 -3.20 117.51 114.56 2ogk h ILE 82 Ca 0.00 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.18 2ogk h ILE 82 Cb 0.95 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2ogk h ILE 82 CO 0.08 0.17 0.31 -0.07 0.00 0.00 0.00 178.15 178.64 2ogk h LEU 83 N -0.43 0.51 0.00 1.44 3.38 -1.40 0.18 115.31 118.99 2ogk h LEU 83 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ogk h LEU 83 Cb 0.37 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2ogk h LEU 83 CO 0.02 0.36 0.00 -1.54 0.09 0.00 0.00 178.44 177.37 2ogk n SER 84 N -4.47 0.00 0.00 -0.43 3.41 -0.95 -3.24 113.62 107.93 2ogk n SER 84 Ca 0.05 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2ogk n SER 84 Cb 0.09 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2ogk n SER 84 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2ogk n THR 85 N -1.25 0.00 -0.07 6.66 -2.24 -0.60 -4.92 114.28 111.86 2ogk n THR 85 Ca 0.12 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 2ogk n THR 85 Cb 0.17 1.41 0.10 0.00 -2.10 0.00 0.00 70.33 69.92 2ogk n THR 85 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ogk n LEU 86 N -0.08 0.04 -0.04 3.22 7.94 0.55 -0.39 117.00 128.23 2ogk n LEU 86 Ca 0.00 0.35 -0.10 0.00 -1.11 0.00 0.00 56.01 55.14 2ogk n LEU 86 Cb 0.10 -0.15 -0.04 0.00 0.53 0.00 0.00 43.42 43.86 2ogk n LEU 86 CO 0.00 -0.38 0.91 -0.08 -1.11 0.00 0.00 177.39 176.73 2ogk h GLU 87 N 0.00 0.24 -0.65 1.96 4.57 -1.88 -3.17 114.58 115.66 2ogk h GLU 87 Ca 0.16 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 2ogk h GLU 87 Cb 0.39 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2ogk h GLU 87 CO -0.17 0.22 0.20 -0.44 -1.18 0.00 0.00 179.01 177.64 2ogk h ASP 88 N 0.20 0.95 0.14 1.04 3.32 -1.13 -2.05 116.42 118.89 2ogk h ASP 88 Ca 0.06 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2ogk h ASP 88 Cb 0.05 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2ogk h ASP 88 CO -0.01 0.91 0.00 0.54 -1.72 0.00 0.00 179.24 178.96 2ogk n ARG 89 N -4.34 0.22 -3.94 3.56 1.74 -1.20 -4.54 116.66 108.15 2ogk n ARG 89 Ca 0.04 0.12 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 2ogk n ARG 89 Cb 0.22 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.02 2ogk n ARG 89 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ogk s ILE 90 N -2.38 3.05 0.77 0.55 1.01 -0.77 0.79 121.20 124.21 2ogk s ILE 90 Ca 0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 2ogk s ILE 90 Cb 0.07 -2.50 0.14 0.00 0.01 0.00 0.00 42.46 40.18 2ogk s ILE 90 CO 0.15 0.25 1.06 1.51 0.00 0.00 0.00 174.94 177.92 2ogk s ASP 91 N 1.37 4.10 0.00 3.58 -4.77 -1.08 -4.91 116.67 114.97 2ogk s ASP 91 Ca 0.02 -0.20 0.18 0.00 -3.30 0.00 0.00 52.55 49.24 2ogk s ASP 91 Cb -0.16 -0.11 0.84 0.00 -1.09 0.00 0.00 42.92 42.39 2ogk s ASP 91 CO -0.04 -2.04 1.56 -1.84 0.70 0.00 0.00 175.17 173.51 2ogk n GLU 92 N -3.03 0.13 -0.40 2.11 0.00 -1.26 -1.49 120.64 116.70 2ogk n GLU 92 Ca 0.15 0.16 0.11 0.00 0.00 0.00 0.00 57.16 57.57 2ogk n GLU 92 Cb 0.60 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.85 2ogk n GLU 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2ogk n GLN 93 N -1.39 2.80 -3.48 3.44 1.13 -1.26 -4.95 117.38 113.67 2ogk n GLN 93 Ca 0.06 -2.53 -0.18 0.00 -1.94 0.00 0.00 57.00 52.41 2ogk n GLN 93 Cb 0.18 -1.60 0.08 0.00 0.11 0.00 0.00 30.24 29.00 2ogk n GLN 93 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2ogk n ASN 94 N 1.43 -2.29 -4.46 1.08 3.02 -0.55 -4.81 115.26 108.68 2ogk n ASN 94 Ca 0.23 -0.64 -0.33 0.00 -0.03 0.00 0.00 54.58 53.81 2ogk n ASN 94 Cb 0.64 -4.97 -0.13 0.00 -0.61 0.00 0.00 39.78 34.71 2ogk n ASN 94 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ogk s VAL 95 N -3.40 3.44 -0.22 2.41 1.01 -1.25 0.12 120.40 122.51 2ogk s VAL 95 Ca 0.05 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 2ogk s VAL 95 Cb -0.02 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2ogk s VAL 95 CO 0.74 0.53 0.63 -0.22 0.00 0.00 0.00 175.10 176.78 2ogk s LEU 96 N 0.07 4.11 -0.22 3.92 2.96 0.27 -2.65 118.68 127.15 2ogk s LEU 96 Ca -0.03 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 2ogk s LEU 96 Cb -0.14 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 2ogk s LEU 96 CO 0.04 -0.31 0.03 -1.00 -1.32 0.00 0.00 176.35 173.78 2ogk s HIS 97 N 2.14 3.07 -0.20 5.38 3.76 0.24 -0.81 115.29 128.87 2ogk s HIS 97 Ca 0.28 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.78 2ogk s HIS 97 Cb -0.16 -2.14 0.04 0.00 1.11 0.00 0.00 32.58 31.44 2ogk s HIS 97 CO 0.10 -0.25 -0.12 0.42 -0.85 0.00 0.00 174.74 174.03 2ogk s ILE 98 N 1.17 1.75 -0.32 0.60 -1.09 0.12 -4.72 121.20 118.71 2ogk s ILE 98 Ca 0.03 -1.06 -0.12 0.00 -2.23 0.00 0.00 60.65 57.27 2ogk s ILE 98 Cb -0.14 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 2ogk s ILE 98 CO 0.02 0.20 0.22 -0.13 -1.23 0.00 0.00 174.94 174.02 2ogk s ARG 99 N 1.35 3.66 -0.00 2.79 0.52 -1.26 -2.10 118.95 123.91 2ogk s ARG 99 Ca -0.01 -0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 54.54 2ogk s ARG 99 Cb -0.16 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 2ogk s ARG 99 CO -0.08 -0.35 0.37 0.42 0.02 0.00 0.00 175.30 175.67 2ogk s ILE 100 N 1.74 5.11 -0.49 1.52 -1.09 -0.61 -1.69 121.20 125.68 2ogk s ILE 100 Ca 0.06 0.69 -0.28 0.00 -2.23 0.00 0.00 60.65 58.90 2ogk s ILE 100 Cb -0.17 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 2ogk s ILE 100 CO 0.11 0.54 1.74 -0.62 -1.23 0.00 0.00 174.94 175.47 2ogk s ASP 101 N -1.18 5.69 0.17 3.58 -1.08 -0.68 -0.09 116.67 123.08 2ogk s ASP 101 Ca 0.24 0.69 -0.20 0.00 -0.52 0.00 0.00 52.55 52.76 2ogk s ASP 101 Cb -0.16 -2.53 0.08 0.00 -1.46 0.00 0.00 42.92 38.86 2ogk s ASP 101 CO 0.13 -1.98 1.63 0.50 0.52 0.00 0.00 175.17 175.97 2ogk h LYS 102 N 13.34 -0.16 0.12 4.34 3.64 -1.88 0.35 116.57 136.32 2ogk h LYS 102 Ca -0.29 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2ogk h LYS 102 Cb 1.15 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2ogk h LYS 102 CO 1.14 -0.11 -0.06 1.96 -2.27 0.00 0.00 179.45 180.11 2ogk h GLN 103 N -0.17 -0.16 -0.44 1.90 1.08 -1.91 0.72 115.11 116.13 2ogk h GLN 103 Ca 0.18 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 2ogk h GLN 103 Cb 0.45 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2ogk h GLN 103 CO -0.48 -0.09 0.09 0.87 -0.95 0.00 0.00 178.83 178.27 2ogk h LYS 104 N -0.18 0.67 -0.39 1.46 1.57 -1.80 -0.83 116.57 117.07 2ogk h LYS 104 Ca -0.02 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2ogk h LYS 104 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2ogk h LYS 104 CO 0.03 0.62 0.20 0.00 -0.57 0.00 0.00 179.45 179.72 2ogk h ALA 105 N 1.46 0.48 -0.45 3.86 0.00 -0.37 0.68 119.26 124.92 2ogk h ALA 105 Ca 0.15 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2ogk h ALA 105 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2ogk h ALA 105 CO -0.00 -0.16 0.30 -0.92 0.00 0.00 0.00 179.25 178.46 2ogk h TYR 106 N 0.40 0.54 -0.19 0.00 3.20 0.24 0.48 116.97 121.64 2ogk h TYR 106 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2ogk h TYR 106 Cb 0.07 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2ogk h TYR 106 CO -0.10 0.33 0.00 1.28 -1.64 0.00 0.00 178.16 178.04 2ogk n LEU 107 N -4.47 2.35 -1.49 2.82 4.77 -0.29 -4.81 117.00 115.89 2ogk n LEU 107 Ca 0.04 -1.19 -0.15 0.00 -0.03 0.00 0.00 56.01 54.69 2ogk n LEU 107 Cb 0.08 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 2ogk n LEU 107 CO 0.35 0.36 -0.17 0.61 -1.33 0.00 0.00 177.39 177.21 2ogk n GLY 108 N 0.28 0.32 3.24 -0.72 0.00 0.17 -5.02 105.19 103.46 2ogk n GLY 108 Ca 0.09 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2ogk n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ogk s GLU 109 N -4.25 1.72 -0.31 1.61 2.12 0.22 -4.96 118.70 114.85 2ogk s GLU 109 Ca 0.00 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 2ogk s GLU 109 Cb 0.00 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.67 2ogk s GLU 109 CO 0.00 0.46 0.18 0.08 -0.54 0.00 0.00 175.26 175.45 2ogk s VAL 110 N -0.56 4.96 0.07 3.70 1.01 -1.26 -2.35 120.40 125.97 2ogk s VAL 110 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2ogk s VAL 110 Cb -0.08 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2ogk s VAL 110 CO -0.00 0.10 0.19 -0.55 0.00 0.00 0.00 175.10 174.83 2ogk s SER 111 N 1.68 0.09 0.65 3.32 0.15 -1.26 -4.63 113.70 113.70 2ogk s SER 111 Ca 0.06 -0.54 -0.11 0.00 0.70 0.00 0.00 55.95 56.06 2ogk s SER 111 Cb -0.17 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2ogk s SER 111 CO 0.08 -0.66 1.05 -0.76 1.20 0.00 0.00 173.24 174.16 2ogk s LEU 112 N -2.55 3.11 -0.03 3.45 1.43 -1.26 -1.69 118.68 121.15 2ogk s LEU 112 Ca 0.01 1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 54.39 2ogk s LEU 112 Cb 0.03 -4.27 0.01 0.00 0.03 0.00 0.00 46.19 41.99 2ogk s LEU 112 CO -0.08 -1.04 0.08 0.28 0.23 0.00 0.00 176.35 175.82 2ogk s THR 113 N -3.24 -0.00 -2.06 5.49 -1.32 -0.68 -4.44 115.64 109.38 2ogk s THR 113 Ca 0.56 0.01 0.19 0.00 -1.21 0.00 0.00 61.69 61.24 2ogk s THR 113 Cb -0.11 -0.12 0.33 0.00 -1.51 0.00 0.00 72.50 71.09 2ogk s THR 113 CO 0.53 0.00 1.27 -1.20 -2.21 0.00 0.00 174.62 173.01 2ogk n SER 114 N 3.08 3.08 -2.42 8.08 7.64 -1.26 -4.80 113.62 127.02 2ogk n SER 114 Ca -0.13 -1.90 -0.06 0.00 1.01 0.00 0.00 58.87 57.80 2ogk n SER 114 Cb 0.59 -0.19 0.04 0.00 -1.01 0.00 0.00 64.21 63.64 2ogk n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ogk n GLY 115 N 1.18 -0.66 1.84 0.23 0.00 -1.26 -5.03 105.19 101.50 2ogk n GLY 115 Ca 0.15 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 2ogk n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ogk n GLY 116 N 3.32 5.38 2.65 -0.02 0.00 -1.26 -4.56 105.19 110.70 2ogk n GLY 116 Ca 0.03 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 2ogk n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ogk n ASP 117 N -1.00 -0.78 -2.92 1.61 2.03 -1.26 -4.99 116.55 109.24 2ogk n ASP 117 Ca 0.48 -2.75 -0.12 0.00 0.52 0.00 0.00 54.79 52.93 2ogk n ASP 117 Cb 1.05 0.56 0.07 0.00 -0.72 0.00 0.00 41.12 42.08 2ogk n ASP 117 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2ogk n PRO 118 N -0.24 -0.23 -3.65 -0.67 -0.04 -1.26 -4.47 135.00 124.44 2ogk n PRO 118 Ca 0.04 -0.99 -0.39 0.00 -0.04 0.00 0.00 63.50 62.11 2ogk n PRO 118 Cb 0.81 -0.47 -0.12 0.00 -0.04 0.00 0.00 33.50 33.68 2ogk n PRO 118 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ogk s ILE 119 N -1.85 4.46 0.20 0.52 1.01 0.86 -4.61 121.20 121.79 2ogk s ILE 119 Ca 0.31 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 2ogk s ILE 119 Cb -0.01 -3.40 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 2ogk s ILE 119 CO 0.21 -0.10 1.03 0.00 0.00 0.00 0.00 174.94 176.08 2ogk s ALA 120 N 1.55 3.35 -0.19 9.38 0.00 -0.23 -1.57 121.76 134.05 2ogk s ALA 120 Ca 0.03 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 2ogk s ALA 120 Cb -0.18 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.69 2ogk s ALA 120 CO 0.06 -0.06 -0.01 0.08 0.00 0.00 0.00 175.76 175.83 2ogk s VAL 121 N -0.61 0.92 0.17 0.00 1.01 -0.89 -1.08 120.40 119.92 2ogk s VAL 121 Ca 0.46 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.84 2ogk s VAL 121 Cb -0.28 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2ogk s VAL 121 CO 0.34 -0.06 -0.18 -0.54 0.00 0.00 0.00 175.10 174.67 2ogk s LYS 122 N 1.69 1.77 -0.03 2.72 1.02 -0.57 -0.71 119.74 125.64 2ogk s LYS 122 Ca -0.01 -1.34 -0.00 0.00 0.02 0.00 0.00 55.97 54.63 2ogk s LYS 122 Cb -0.17 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.15 2ogk s LYS 122 CO -0.07 0.43 0.03 -0.51 -0.92 0.00 0.00 175.35 174.31 2ogk s LEU 123 N -2.56 0.91 -0.49 3.17 1.43 0.01 -1.95 118.68 119.20 2ogk s LEU 123 Ca 0.21 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.09 2ogk s LEU 123 Cb -0.09 -0.11 0.03 0.00 0.03 0.00 0.00 46.19 46.05 2ogk s LEU 123 CO 0.12 -0.15 0.99 -0.60 0.23 0.00 0.00 176.35 176.94 2ogk s ARG 124 N 1.27 3.52 -0.26 1.70 6.06 -0.49 0.97 118.95 131.72 2ogk s ARG 124 Ca -0.06 0.16 -0.18 0.00 -2.50 0.00 0.00 55.73 53.14 2ogk s ARG 124 Cb -0.13 -3.95 -0.03 0.00 0.06 0.00 0.00 34.95 30.90 2ogk s ARG 124 CO -0.03 -1.34 0.53 -0.51 -2.50 0.00 0.00 175.30 171.45 2ogk s LEU 125 N 4.03 4.06 -0.19 -0.88 1.43 0.12 -0.22 118.68 127.02 2ogk s LEU 125 Ca 0.38 0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2ogk s LEU 125 Cb -0.10 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.44 2ogk s LEU 125 CO 0.26 -0.31 -0.14 -0.69 0.23 0.00 0.00 176.35 175.71 2ogk s VAL 126 N 2.35 2.61 -0.14 -1.59 1.01 -0.75 -4.86 120.40 119.02 2ogk s VAL 126 Ca 0.22 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2ogk s VAL 126 Cb -0.16 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2ogk s VAL 126 CO 0.09 0.49 -0.09 0.42 0.00 0.00 0.00 175.10 176.01 2ogk s THR 127 N 1.31 3.41 0.41 3.92 -4.23 -1.26 -1.65 115.64 117.55 2ogk s THR 127 Ca 0.04 -0.53 0.22 0.00 -1.18 0.00 0.00 61.69 60.24 2ogk s THR 127 Cb -0.14 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.67 2ogk s THR 127 CO -0.08 0.51 1.72 0.10 -0.54 0.00 0.00 174.62 176.34 2ogk h TYR 128 N 6.70 0.60 -0.05 3.99 -0.00 -1.97 0.86 116.97 127.10 2ogk h TYR 128 Ca -0.28 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.47 2ogk h TYR 128 Cb 1.20 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 37.77 2ogk h TYR 128 CO 0.51 -0.03 0.00 -2.30 -0.00 0.00 0.00 178.16 176.34 2ogk n PRO 129 N -4.65 1.82 -1.38 0.10 -0.02 -1.26 -5.03 135.00 124.59 2ogk n PRO 129 Ca 0.29 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.57 2ogk n PRO 129 Cb 1.06 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 2ogk n PRO 129 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ogk n SER 130 N 0.45 -2.34 -3.14 2.55 2.88 0.30 -5.01 113.62 109.31 2ogk n SER 130 Ca 0.18 0.17 -0.14 0.00 -1.33 0.00 0.00 58.87 57.75 2ogk n SER 130 Cb 0.40 -0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 2ogk n SER 130 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2ogk s LYS 131 N -0.29 2.00 0.00 -1.46 1.02 -1.26 -5.00 119.74 114.74 2ogk s LYS 131 Ca 0.00 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.26 2ogk s LYS 131 Cb 0.00 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.79 2ogk s LYS 131 CO 0.00 -0.85 0.63 -2.13 -0.92 0.00 0.00 175.35 172.08 2ogk n ARG 132 N -0.57 0.00 0.31 1.68 3.00 -1.26 -2.47 116.66 117.35 2ogk n ARG 132 Ca -0.01 0.37 0.17 0.00 -0.00 0.00 0.00 57.85 58.38 2ogk n ARG 132 Cb 0.61 -1.23 0.91 0.00 0.00 0.00 0.00 32.46 32.75 2ogk n ARG 132 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2ogk h GLU 133 N 0.00 0.00 0.39 -0.14 4.39 -1.98 -0.48 114.58 116.75 2ogk h GLU 133 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2ogk h GLU 133 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ogk h GLU 133 CO 0.00 0.00 -0.22 1.57 -1.16 0.00 0.00 179.01 179.20 2ogk h LYS 134 N 0.00 -0.56 0.10 2.33 5.09 -1.92 -1.15 116.57 120.46 2ogk h LYS 134 Ca 0.02 0.04 -0.21 0.00 0.09 0.00 0.00 60.65 60.58 2ogk h LYS 134 Cb 0.53 0.13 0.02 0.00 0.10 0.00 0.00 32.23 33.01 2ogk h LYS 134 CO -0.00 -0.37 -0.89 -0.39 -2.09 0.00 0.00 179.45 175.71 2ogk h VAL 135 N -0.58 1.41 -0.99 0.07 -1.51 -0.92 -2.73 116.25 111.01 2ogk h VAL 135 Ca -0.04 -2.37 0.23 0.00 -1.23 0.00 0.00 66.70 63.28 2ogk h VAL 135 Cb 0.47 2.86 -0.09 0.00 -2.13 0.00 0.00 31.29 32.41 2ogk h VAL 135 CO 0.05 0.69 0.63 0.40 -1.23 0.00 0.00 177.57 178.12 2ogk h ILE 136 N -0.09 0.62 0.09 7.19 2.04 -1.13 0.58 117.51 126.81 2ogk h ILE 136 Ca -0.14 -0.17 -0.28 0.00 1.00 0.00 0.00 64.86 65.28 2ogk h ILE 136 Cb 1.63 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2ogk h ILE 136 CO 0.17 0.09 -1.38 -0.33 0.00 0.00 0.00 178.15 176.70 2ogk h GLU 137 N 0.48 0.19 -0.22 2.37 4.39 -1.28 -3.23 114.58 117.29 2ogk h GLU 137 Ca 0.55 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 2ogk h GLU 137 Cb 1.25 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 2ogk h GLU 137 CO -0.27 1.06 0.03 0.35 -1.16 0.00 0.00 179.01 179.02 2ogk h PHE 138 N 0.05 0.31 0.05 4.33 3.57 -0.20 -1.90 116.94 123.14 2ogk h PHE 138 Ca -0.18 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.32 2ogk h PHE 138 Cb 1.96 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.59 2ogk h PHE 138 CO 0.05 0.30 -0.09 0.00 -2.23 0.00 0.00 178.31 176.33 2ogk h ALA 139 N 1.73 -0.15 -0.73 2.41 0.00 -0.06 -0.48 119.26 122.00 2ogk h ALA 139 Ca 0.07 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.13 2ogk h ALA 139 Cb 0.16 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 2ogk h ALA 139 CO -0.00 -0.60 0.20 0.00 0.00 0.00 0.00 179.25 178.84 2ogk h ARG 140 N -0.19 0.29 -1.06 0.00 2.47 -1.41 0.17 114.38 114.65 2ogk h ARG 140 Ca 0.02 -0.02 0.29 0.00 -1.26 0.00 0.00 59.98 59.01 2ogk h ARG 140 Cb 0.20 -0.06 -0.11 0.00 -1.65 0.00 0.00 29.97 28.34 2ogk h ARG 140 CO -0.05 0.19 0.66 1.49 0.56 0.00 0.00 179.97 182.82 2ogk h GLU 141 N 0.30 0.39 -2.51 0.04 4.81 -0.56 -2.21 114.58 114.83 2ogk h GLU 141 Ca 0.41 -0.02 -0.43 0.00 -0.13 0.00 0.00 59.36 59.18 2ogk h GLU 141 Cb 0.68 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2ogk h GLU 141 CO -0.49 0.26 1.77 1.28 -0.73 0.00 0.00 179.01 181.10 2ogk n LEU 142 N -4.75 7.01 0.00 1.64 4.77 0.60 -5.12 117.00 121.15 2ogk n LEU 142 Ca 0.28 -3.77 0.00 0.00 -0.03 0.00 0.00 56.01 52.49 2ogk n LEU 142 Cb 0.92 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2ogk n LEU 142 CO 0.21 1.88 0.00 0.00 -1.33 0.00 0.00 177.39 178.14