#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ogk n GLY 4 N 0.00 -0.57 3.23 3.14 0.00 -1.26 -4.76 105.19 104.97 2ogk n GLY 4 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 2ogk n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ogk s LYS 5 N -1.95 1.12 -0.83 1.61 -2.85 -0.72 -4.98 119.74 111.13 2ogk s LYS 5 Ca 0.00 -1.47 -0.15 0.00 -1.00 0.00 0.00 55.97 53.35 2ogk s LYS 5 Cb 0.00 0.29 0.21 0.00 -2.06 0.00 0.00 37.83 36.27 2ogk s LYS 5 CO 0.00 -0.37 0.80 0.42 0.10 0.00 0.00 175.35 176.30 2ogk s ILE 6 N -4.08 5.52 0.29 3.79 1.01 -1.26 -0.19 121.20 126.28 2ogk s ILE 6 Ca 0.29 -2.36 -0.03 0.00 0.00 0.00 0.00 60.65 58.56 2ogk s ILE 6 Cb 0.06 -4.50 0.39 0.00 0.01 0.00 0.00 42.46 38.42 2ogk s ILE 6 CO 0.06 -1.07 1.58 -0.08 0.00 0.00 0.00 174.94 175.44 2ogk h GLU 7 N 7.91 0.03 0.00 2.79 4.81 -1.54 -3.45 114.58 125.13 2ogk h GLU 7 Ca 0.10 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 2ogk h GLU 7 Cb 1.04 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2ogk h GLU 7 CO 0.79 0.02 0.06 -2.67 -0.73 0.00 0.00 179.01 176.48 2ogk n TRP 8 N -5.49 -1.88 -3.68 0.92 4.27 -1.25 -4.84 117.44 105.49 2ogk n TRP 8 Ca 0.19 -2.05 -0.12 0.00 -3.89 0.00 0.00 57.50 51.63 2ogk n TRP 8 Cb 0.63 0.72 -0.12 0.00 -1.36 0.00 0.00 31.31 31.17 2ogk n TRP 8 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2ogk s VAL 9 N -2.47 -0.36 -0.15 -1.67 1.01 -1.01 -2.02 120.40 113.73 2ogk s VAL 9 Ca 0.22 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.42 2ogk s VAL 9 Cb -0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 2ogk s VAL 9 CO 0.16 0.09 -0.17 -0.13 0.00 0.00 0.00 175.10 175.05 2ogk s ARG 10 N 2.16 3.18 -0.22 2.72 0.52 -0.64 -0.54 118.95 126.13 2ogk s ARG 10 Ca -0.02 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2ogk s ARG 10 Cb -0.11 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.82 2ogk s ARG 10 CO -0.10 0.03 -0.14 0.08 0.02 0.00 0.00 175.30 175.20 2ogk s VAL 11 N 0.76 2.33 0.10 3.52 1.01 0.11 -0.66 120.40 127.56 2ogk s VAL 11 Ca -0.07 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.78 2ogk s VAL 11 Cb -0.16 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2ogk s VAL 11 CO 0.01 0.29 -0.07 -0.94 0.00 0.00 0.00 175.10 174.39 2ogk s SER 12 N 1.25 1.14 0.21 3.32 1.04 0.58 0.51 113.70 121.76 2ogk s SER 12 Ca -0.00 -0.97 -0.15 0.00 0.48 0.00 0.00 55.95 55.31 2ogk s SER 12 Cb -0.16 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.06 2ogk s SER 12 CO -0.08 -0.44 0.48 0.00 0.98 0.00 0.00 173.24 174.18 2ogk s ALA 13 N -3.43 -0.57 0.11 5.32 0.00 -0.28 0.03 121.76 122.94 2ogk s ALA 13 Ca 0.10 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 51.60 2ogk s ALA 13 Cb 0.04 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 2ogk s ALA 13 CO -0.04 -0.81 -0.24 0.08 0.00 0.00 0.00 175.76 174.75 2ogk s VAL 14 N -3.94 2.46 -0.20 0.00 1.01 -1.26 -0.99 120.40 117.47 2ogk s VAL 14 Ca 0.15 -1.59 -0.00 0.00 0.00 0.00 0.00 61.98 60.54 2ogk s VAL 14 Cb -0.00 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2ogk s VAL 14 CO 0.02 0.15 -0.14 -0.69 0.00 0.00 0.00 175.10 174.45 2ogk s VAL 15 N -1.04 2.50 0.46 2.92 1.01 0.30 -4.99 120.40 121.56 2ogk s VAL 15 Ca 0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2ogk s VAL 15 Cb -0.10 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2ogk s VAL 15 CO 0.07 0.43 0.74 -1.00 0.00 0.00 0.00 175.10 175.34 2ogk s HIS 16 N 1.33 3.55 0.44 5.22 3.76 -1.26 -2.46 115.29 125.87 2ogk s HIS 16 Ca 0.04 0.73 0.26 0.00 -0.15 0.00 0.00 55.06 55.94 2ogk s HIS 16 Cb -0.14 -2.23 1.31 0.00 1.11 0.00 0.00 32.58 32.63 2ogk s HIS 16 CO -0.09 -0.20 1.71 0.77 -0.85 0.00 0.00 174.74 176.08 2ogk h SER 17 N 0.34 0.30 1.07 1.40 0.02 -1.99 1.04 113.55 115.72 2ogk h SER 17 Ca -0.47 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2ogk h SER 17 Cb 1.21 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2ogk h SER 17 CO 0.62 -0.03 -0.18 0.41 -1.14 0.00 0.00 176.83 176.50 2ogk n THR 18 N -4.58 0.27 -2.67 -2.27 -1.04 -1.26 -4.93 114.28 97.81 2ogk n THR 18 Ca 0.31 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.05 61.88 2ogk n THR 18 Cb 1.18 -0.36 -0.01 0.00 -1.82 0.00 0.00 70.33 69.31 2ogk n THR 18 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ogk s GLU 19 N -3.06 3.65 -0.30 -2.82 2.02 0.36 -5.09 118.70 113.46 2ogk s GLU 19 Ca 0.11 0.36 -0.05 0.00 0.02 0.00 0.00 54.97 55.41 2ogk s GLU 19 Cb 0.15 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 32.05 2ogk s GLU 19 CO 0.61 -0.16 0.05 0.34 0.02 0.00 0.00 175.26 176.12 2ogk s ASP 20 N -3.69 5.01 0.20 -0.19 2.15 -1.26 -4.80 116.67 114.08 2ogk s ASP 20 Ca 0.50 -0.92 -0.16 0.00 0.43 0.00 0.00 52.55 52.40 2ogk s ASP 20 Cb -0.10 -1.82 0.18 0.00 -0.30 0.00 0.00 42.92 40.88 2ogk s ASP 20 CO 0.40 -0.22 1.62 -0.09 -0.17 0.00 0.00 175.17 176.70 2ogk h ARG 21 N 8.17 -0.06 -0.98 4.34 2.43 -1.98 -0.65 114.38 125.64 2ogk h ARG 21 Ca -0.28 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 2ogk h ARG 21 Cb 1.10 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 2ogk h ARG 21 CO 0.59 -0.04 0.65 0.93 -1.51 0.00 0.00 179.97 180.59 2ogk h GLU 22 N -0.06 1.26 -0.51 0.20 5.08 -1.98 0.47 114.58 119.05 2ogk h GLU 22 Ca 0.26 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2ogk h GLU 22 Cb 0.47 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2ogk h GLU 22 CO -0.61 0.84 0.13 1.57 -1.00 0.00 0.00 179.01 179.93 2ogk h LYS 23 N 1.30 0.81 0.08 2.33 -0.00 -1.60 -2.72 116.57 116.76 2ogk h LYS 23 Ca 0.37 -0.19 -0.00 0.00 -0.00 0.00 0.00 60.65 60.82 2ogk h LYS 23 Cb -0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 32.23 32.03 2ogk h LYS 23 CO -0.09 0.78 -0.04 0.28 -0.00 0.00 0.00 179.45 180.37 2ogk h VAL 24 N 0.70 1.17 -0.65 0.07 2.07 -0.70 -2.66 116.25 116.26 2ogk h VAL 24 Ca 0.16 -0.93 0.19 0.00 0.82 0.00 0.00 66.70 66.94 2ogk h VAL 24 Cb 0.33 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2ogk h VAL 24 CO 0.00 0.23 0.74 1.23 0.02 0.00 0.00 177.57 179.78 2ogk h GLY 25 N -0.53 0.00 0.82 2.17 0.00 -0.05 0.59 103.07 106.07 2ogk h GLY 25 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 2ogk h GLY 25 CO 0.02 0.00 -0.88 0.83 0.00 0.00 0.00 176.54 176.51 2ogk h GLU 26 N 0.00 0.38 0.00 4.80 3.07 -1.17 -2.07 114.58 119.60 2ogk h GLU 26 Ca 0.31 -0.57 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 2ogk h GLU 26 Cb 1.77 0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 29.88 2ogk h GLU 26 CO -0.00 1.25 -0.07 0.00 -1.40 0.00 0.00 179.01 178.79 2ogk h ALA 27 N 0.16 1.30 0.02 3.43 0.00 0.40 -1.94 119.26 122.63 2ogk h ALA 27 Ca -0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ogk h ALA 27 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2ogk h ALA 27 CO 0.17 0.08 -0.01 0.82 0.00 0.00 0.00 179.25 180.31 2ogk h ILE 28 N 0.00 1.46 -0.02 0.00 1.08 -0.89 -3.25 117.51 115.90 2ogk h ILE 28 Ca -0.00 -1.51 0.01 0.00 -0.39 0.00 0.00 64.86 62.97 2ogk h ILE 28 Cb 0.21 2.47 -0.00 0.00 -3.07 0.00 0.00 36.82 36.43 2ogk h ILE 28 CO 0.01 0.38 0.06 0.77 -0.69 0.00 0.00 178.15 178.68 2ogk h SER 29 N -0.68 0.00 -0.20 1.72 4.64 -0.62 -1.87 113.55 116.53 2ogk h SER 29 Ca -0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2ogk h SER 29 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2ogk h SER 29 CO 0.00 0.00 0.31 0.74 -0.87 0.00 0.00 176.83 177.01 2ogk h THR 30 N 0.00 0.28 -0.00 2.95 2.02 -1.49 0.39 112.91 117.05 2ogk h THR 30 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2ogk h THR 30 Cb 0.12 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2ogk h THR 30 CO -0.00 0.00 -0.26 0.18 0.37 0.00 0.00 175.52 175.81 2ogk n LEU 31 N -3.48 0.72 -4.43 2.58 4.77 -0.70 -4.87 117.00 111.58 2ogk n LEU 31 Ca 0.02 -0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.58 2ogk n LEU 31 Cb 0.43 -0.19 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 2ogk n LEU 31 CO 0.23 0.14 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.60 2ogk s PHE 32 N -2.64 2.64 -0.27 -1.77 2.99 0.14 -4.66 117.98 114.41 2ogk s PHE 32 Ca 0.22 -0.29 0.16 0.00 0.00 0.00 0.00 56.93 57.02 2ogk s PHE 32 Cb 0.19 -1.63 0.56 0.00 0.00 0.00 0.00 43.02 42.14 2ogk s PHE 32 CO 0.55 0.08 1.46 -0.35 -0.00 0.00 0.00 175.22 176.97 2ogk n PRO 33 N 2.51 3.22 -3.70 0.24 -0.04 -1.26 -4.97 135.00 131.00 2ogk n PRO 33 Ca -0.17 -2.83 -0.09 0.00 -0.04 0.00 0.00 63.50 60.36 2ogk n PRO 33 Cb 0.52 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.65 -0.23 0.62 0.54 -0.12 -1.26 -5.12 117.98 109.75 2ogk s PHE 34 Ca 0.43 -0.11 -0.19 0.00 -0.05 0.00 0.00 56.93 57.00 2ogk s PHE 34 Cb 0.34 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 43.22 2ogk s PHE 34 CO 0.11 -0.99 1.31 -2.00 -0.05 0.00 0.00 175.22 173.60 2ogk s GLU 35 N -3.86 2.74 0.13 1.99 2.56 -1.26 -5.04 118.70 115.96 2ogk s GLU 35 Ca 0.08 2.12 -0.24 0.00 0.00 0.00 0.00 54.97 56.93 2ogk s GLU 35 Cb -0.02 -1.97 0.08 0.00 2.00 0.00 0.00 34.13 34.21 2ogk s GLU 35 CO -0.02 -1.47 0.65 -0.59 -0.56 0.00 0.00 175.26 173.27 2ogk s PHE 36 N -1.37 -0.50 0.69 5.30 -0.12 -1.26 -5.18 117.98 115.55 2ogk s PHE 36 Ca 0.79 0.30 0.02 0.00 -0.05 0.00 0.00 56.93 58.00 2ogk s PHE 36 Cb -0.38 0.56 0.12 0.00 -0.63 0.00 0.00 43.02 42.69 2ogk s PHE 36 CO 0.42 -0.80 0.95 -2.00 -0.05 0.00 0.00 175.22 173.74 2ogk s GLU 37 N -3.63 1.80 -0.30 1.99 2.56 -1.26 -5.13 118.70 114.73 2ogk s GLU 37 Ca 0.02 -1.31 0.01 0.00 0.00 0.00 0.00 54.97 53.69 2ogk s GLU 37 Cb -0.01 -2.42 0.19 0.00 2.00 0.00 0.00 34.13 33.90 2ogk s GLU 37 CO -0.12 -1.33 0.65 0.42 -0.56 0.00 0.00 175.26 174.32 2ogk s ILE 38 N -3.02 -0.92 0.37 -3.70 1.01 -1.26 -4.73 121.20 108.95 2ogk s ILE 38 Ca 0.66 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 61.04 2ogk s ILE 38 Cb -0.05 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.37 2ogk s ILE 38 CO 0.43 0.00 1.17 0.00 0.00 0.00 0.00 174.94 176.54 2ogk s ALA 39 N 2.86 3.23 -0.28 9.38 0.00 -0.84 -4.88 121.76 131.22 2ogk s ALA 39 Ca 0.15 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.10 2ogk s ALA 39 Cb -0.12 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.71 2ogk s ALA 39 CO -0.23 -0.47 0.02 0.08 0.00 0.00 0.00 175.76 175.16 2ogk s VAL 40 N -1.36 1.52 0.53 0.00 1.01 -1.26 -2.67 120.40 118.17 2ogk s VAL 40 Ca 0.54 -1.55 0.09 0.00 0.00 0.00 0.00 61.98 61.07 2ogk s VAL 40 Cb -0.31 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.16 2ogk s VAL 40 CO 0.40 -0.39 0.73 -0.55 0.00 0.00 0.00 175.10 175.29 2ogk s SER 41 N 1.34 5.24 -0.08 3.32 0.15 -0.90 -4.96 113.70 117.82 2ogk s SER 41 Ca 0.03 -0.74 -0.17 0.00 0.70 0.00 0.00 55.95 55.77 2ogk s SER 41 Cb -0.18 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2ogk s SER 41 CO -0.12 -1.19 0.40 -0.54 1.20 0.00 0.00 173.24 172.99 2ogk s LYS 42 N -4.58 0.64 0.06 5.44 1.02 -1.26 -2.00 119.74 119.05 2ogk s LYS 42 Ca 0.60 0.19 -0.27 0.00 0.02 0.00 0.00 55.97 56.51 2ogk s LYS 42 Cb -0.07 0.30 0.09 0.00 -0.52 0.00 0.00 37.83 37.63 2ogk s LYS 42 CO 0.37 -0.15 1.19 0.00 -0.92 0.00 0.00 175.35 175.84 2ogk s ALA 43 N -0.66 -2.09 -0.16 5.17 0.00 -0.75 -4.99 121.76 118.28 2ogk s ALA 43 Ca -0.08 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 2ogk s ALA 43 Cb -0.04 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 2ogk s ALA 43 CO 0.03 -1.09 0.75 0.15 0.00 0.00 0.00 175.76 175.60 2ogk s LYS 44 N -2.29 4.30 1.25 0.00 1.02 -1.26 0.23 119.74 122.98 2ogk s LYS 44 Ca 0.22 0.88 -0.21 0.00 0.02 0.00 0.00 55.97 56.87 2ogk s LYS 44 Cb 0.00 -3.55 0.32 0.00 -0.52 0.00 0.00 37.83 34.08 2ogk s LYS 44 CO 0.00 -0.23 0.74 0.41 -0.92 0.00 0.00 175.35 175.35 2ogk n GLY 45 N 3.50 -3.93 0.39 -3.33 0.00 0.66 -4.82 105.19 97.65 2ogk n GLY 45 Ca 0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 2ogk n GLY 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2ogk h HIS 46 N -3.40 -1.28 0.00 1.61 3.86 -1.97 -3.37 115.15 110.60 2ogk h HIS 46 Ca -0.33 0.10 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2ogk h HIS 46 Cb 1.13 0.69 0.00 0.00 1.06 0.00 0.00 27.41 30.28 2ogk h HIS 46 CO 0.00 -0.40 0.00 2.48 0.86 0.00 0.00 177.93 180.87 2ogk n TYR 47 N -5.41 0.00 0.59 2.45 -0.00 -1.26 -4.94 117.16 108.59 2ogk n TYR 47 Ca 0.06 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.03 2ogk n TYR 47 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.70 2ogk n TYR 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ogk n GLY 48 N 4.26 -0.09 3.72 -7.48 0.00 -1.26 -5.01 105.19 99.34 2ogk n GLY 48 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.62 6.49 0.08 1.61 -0.87 -1.26 -4.53 114.94 114.84 2ogk s ASN 49 Ca 0.11 2.75 -0.31 0.00 -1.57 0.00 0.00 52.86 53.85 2ogk s ASN 49 Cb 0.11 -2.60 -0.09 0.00 -0.02 0.00 0.00 41.25 38.64 2ogk s ASN 49 CO 0.32 -0.88 1.84 -2.84 -2.57 0.00 0.00 177.10 172.97 2ogk s PRO 50 N 0.89 4.15 0.25 -0.60 0.02 -1.26 0.24 135.00 138.68 2ogk s PRO 50 Ca 0.71 2.55 0.08 0.00 0.02 0.00 0.00 61.00 64.36 2ogk s PRO 50 Cb -0.46 -3.79 -0.04 0.00 0.02 0.00 0.00 34.50 30.23 2ogk s PRO 50 CO 0.34 -0.86 0.08 -1.64 -0.33 0.00 0.00 177.00 174.59 2ogk s MET 51 N 3.32 2.58 -0.07 5.54 -1.94 0.61 -4.44 119.30 124.90 2ogk s MET 51 Ca 0.82 -1.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 2ogk s MET 51 Cb -0.44 -2.36 0.01 0.00 2.01 0.00 0.00 34.83 34.05 2ogk s MET 51 CO 0.37 0.39 -0.15 -1.83 -0.01 0.00 0.00 175.02 173.80 2ogk s GLU 52 N -3.65 1.99 -0.09 2.03 1.03 -1.03 -1.81 118.70 117.18 2ogk s GLU 52 Ca 0.32 -0.51 0.01 0.00 0.03 0.00 0.00 54.97 54.81 2ogk s GLU 52 Cb -0.07 -1.60 -0.02 0.00 -0.80 0.00 0.00 34.13 31.64 2ogk s GLU 52 CO 0.22 0.06 -0.11 0.71 -1.33 0.00 0.00 175.26 174.81 2ogk s TYR 53 N 0.60 2.82 -0.19 4.83 2.02 -0.85 -0.54 117.35 126.04 2ogk s TYR 53 Ca -0.16 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2ogk s TYR 53 Cb -0.16 -1.75 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 2ogk s TYR 53 CO 0.05 0.06 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.49 2ogk s LEU 54 N -0.28 2.07 -0.03 -1.29 1.43 -0.16 -2.11 118.68 118.31 2ogk s LEU 54 Ca 0.03 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2ogk s LEU 54 Cb -0.13 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 2ogk s LEU 54 CO 0.03 -0.16 -0.15 -0.70 0.23 0.00 0.00 176.35 175.60 2ogk s GLU 55 N 1.47 1.42 -0.17 1.70 2.12 -1.09 -1.12 118.70 123.03 2ogk s GLU 55 Ca -0.01 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2ogk s GLU 55 Cb -0.16 -1.29 0.01 0.00 0.26 0.00 0.00 34.13 32.95 2ogk s GLU 55 CO -0.08 0.25 -0.18 0.08 -0.54 0.00 0.00 175.26 174.79 2ogk s VAL 56 N -0.07 2.35 -0.12 3.70 1.01 0.18 -1.99 120.40 125.46 2ogk s VAL 56 Ca -0.00 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2ogk s VAL 56 Cb -0.09 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2ogk s VAL 56 CO 0.01 0.52 -0.23 -0.70 0.00 0.00 0.00 175.10 174.70 2ogk s GLU 57 N 1.07 3.02 -0.24 2.72 2.12 -1.26 0.07 118.70 126.20 2ogk s GLU 57 Ca -0.01 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.37 2ogk s GLU 57 Cb -0.14 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 2ogk s GLU 57 CO -0.06 0.06 0.14 -0.51 -0.54 0.00 0.00 175.26 174.35 2ogk s LEU 58 N 0.63 3.94 0.00 2.70 1.02 0.30 -4.95 118.68 122.33 2ogk s LEU 58 Ca -0.12 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.06 2ogk s LEU 58 Cb -0.16 -2.06 0.00 0.00 0.02 0.00 0.00 46.19 43.99 2ogk s LEU 58 CO 0.02 0.04 0.36 1.07 0.02 0.00 0.00 176.35 177.86 2ogk n THR 59 N 4.42 0.00 -3.36 5.49 5.66 -1.26 -2.39 114.28 122.84 2ogk n THR 59 Ca -0.15 -0.42 -0.42 0.00 -3.05 0.00 0.00 64.05 60.01 2ogk n THR 59 Cb 0.52 1.14 -0.09 0.00 -1.55 0.00 0.00 70.33 70.35 2ogk n THR 59 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2ogk s LYS 60 N -0.12 3.25 0.25 1.09 3.01 -1.26 -4.94 119.74 121.03 2ogk s LYS 60 Ca 0.00 -0.66 0.08 0.00 -1.01 0.00 0.00 55.97 54.38 2ogk s LYS 60 Cb 0.00 -3.91 0.79 0.00 -1.01 0.00 0.00 37.83 33.69 2ogk s LYS 60 CO 0.00 -0.73 1.17 -1.13 0.51 0.00 0.00 175.35 175.17 2ogk n SER 61 N 5.50 0.08 -0.01 2.83 3.41 -1.26 -0.06 113.62 124.12 2ogk n SER 61 Ca -0.08 1.25 -0.07 0.00 -0.26 0.00 0.00 58.87 59.71 2ogk n SER 61 Cb 0.48 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 2ogk n SER 61 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ogk h SER 62 N 0.00 -0.76 -0.07 4.04 0.02 -2.00 -0.43 113.55 114.35 2ogk h SER 62 Ca 0.54 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.62 2ogk h SER 62 Cb 1.30 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 64.10 2ogk h SER 62 CO -0.64 -0.21 -0.18 -0.33 -1.14 0.00 0.00 176.83 174.34 2ogk h GLU 63 N -0.25 -0.24 -0.87 3.45 5.08 -0.88 -1.76 114.58 119.10 2ogk h GLU 63 Ca 0.02 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2ogk h GLU 63 Cb 0.29 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.48 2ogk h GLU 63 CO -0.20 -0.16 -0.51 0.82 -1.00 0.00 0.00 179.01 177.95 2ogk h ILE 64 N -0.25 0.01 -0.49 3.13 1.08 -0.98 1.05 117.51 121.05 2ogk h ILE 64 Ca 0.08 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.42 2ogk h ILE 64 Cb 0.36 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 2ogk h ILE 64 CO -0.22 0.00 -0.18 0.11 -0.69 0.00 0.00 178.15 177.18 2ogk h LYS 65 N -0.08 0.99 -0.43 2.37 1.79 -0.84 0.25 116.57 120.62 2ogk h LYS 65 Ca 0.20 -0.41 -0.09 0.00 -2.18 0.00 0.00 60.65 58.17 2ogk h LYS 65 Cb 0.50 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2ogk h LYS 65 CO -0.88 1.08 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.28 2ogk h LYS 66 N 0.85 0.81 -0.09 3.15 1.63 -0.46 -0.53 116.57 121.94 2ogk h LYS 66 Ca 0.12 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2ogk h LYS 66 Cb 0.75 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.32 2ogk h LYS 66 CO 0.06 0.92 0.05 0.35 -3.45 0.00 0.00 179.45 177.38 2ogk h PHE 67 N 0.64 0.12 -0.45 1.91 3.57 0.13 -0.93 116.94 121.93 2ogk h PHE 67 Ca 0.11 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2ogk h PHE 67 Cb 0.60 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2ogk h PHE 67 CO 0.05 0.12 0.07 2.35 -2.23 0.00 0.00 178.31 178.66 2ogk h TRP 68 N 0.08 0.72 -0.33 0.41 2.91 -0.36 0.17 115.95 119.55 2ogk h TRP 68 Ca 0.03 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 2ogk h TRP 68 Cb 0.03 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.46 2ogk h TRP 68 CO -0.06 0.64 0.10 0.87 -1.03 0.00 0.00 178.44 178.96 2ogk h LYS 69 N 0.67 0.52 0.85 2.65 1.79 -0.89 -1.97 116.57 120.19 2ogk h LYS 69 Ca 0.15 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 2ogk h LYS 69 Cb 0.31 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2ogk h LYS 69 CO 0.00 0.56 -0.46 -0.97 -1.08 0.00 0.00 179.45 177.51 2ogk h ASN 70 N 0.38 -1.12 -0.86 0.86 -0.00 -0.69 0.13 115.58 114.29 2ogk h ASN 70 Ca 0.11 0.05 0.22 0.00 -0.00 0.00 0.00 56.30 56.68 2ogk h ASN 70 Cb 0.26 0.31 -0.14 0.00 -0.00 0.00 0.00 38.32 38.75 2ogk h ASN 70 CO -0.00 -0.74 0.15 0.25 -0.00 0.00 0.00 177.43 177.09 2ogk h LEU 71 N -1.20 -0.14 -0.86 0.34 5.85 -0.67 1.23 115.31 119.86 2ogk h LEU 71 Ca -0.12 0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2ogk h LEU 71 Cb 0.94 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2ogk h LEU 71 CO 0.16 -0.18 -0.25 0.25 -0.34 0.00 0.00 178.44 178.08 2ogk h LEU 72 N 0.16 0.57 0.10 2.25 5.85 -1.15 0.08 115.31 123.17 2ogk h LEU 72 Ca 0.52 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2ogk h LEU 72 Cb 1.02 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2ogk h LEU 72 CO -0.68 0.81 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.83 2ogk h GLU 73 N 0.49 -0.16 -0.00 1.25 5.08 0.41 -1.18 114.58 120.48 2ogk h GLU 73 Ca 0.07 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2ogk h GLU 73 Cb 0.70 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2ogk h GLU 73 CO 0.05 -0.11 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.42 2ogk h LEU 74 N -0.16 -1.44 -0.83 1.33 4.07 -0.46 -2.05 115.31 115.76 2ogk h LEU 74 Ca -0.01 0.17 0.19 0.00 0.08 0.00 0.00 57.88 58.31 2ogk h LEU 74 Cb 0.13 0.56 -0.12 0.00 1.08 0.00 0.00 40.66 42.31 2ogk h LEU 74 CO 0.01 -0.49 0.32 0.25 -1.08 0.00 0.00 178.44 177.45 2ogk h LEU 75 N -0.62 0.24 0.00 1.67 5.85 -1.05 -3.45 115.31 117.95 2ogk h LEU 75 Ca 0.03 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2ogk h LEU 75 Cb 0.69 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2ogk h LEU 75 CO -0.34 0.01 0.00 0.61 -0.34 0.00 0.00 178.44 178.38 2ogk n GLY 76 N -1.34 3.03 0.12 3.75 0.00 -0.44 -3.23 105.19 107.08 2ogk n GLY 76 Ca 0.19 0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.58 2ogk n GLY 76 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ogk n GLU 77 N 7.96 0.13 0.04 1.61 4.07 -1.26 -1.83 120.64 131.36 2ogk n GLU 77 Ca 0.00 0.54 0.12 0.00 -0.06 0.00 0.00 57.16 57.76 2ogk n GLU 77 Cb 0.00 -1.85 0.27 0.00 -0.06 0.00 0.00 31.44 29.80 2ogk n GLU 77 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2ogk n GLN 78 N -2.11 0.17 0.33 5.31 6.02 -1.20 -3.71 117.38 122.20 2ogk n GLN 78 Ca -0.00 0.06 0.22 0.00 -0.01 0.00 0.00 57.00 57.27 2ogk n GLN 78 Cb 0.09 -1.62 1.17 0.00 1.02 0.00 0.00 30.24 30.90 2ogk n GLN 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ogk h ALA 79 N 2.71 1.08 0.00 -1.58 0.00 -1.59 0.37 119.26 120.24 2ogk h ALA 79 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2ogk h ALA 79 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2ogk h ALA 79 CO 0.00 -0.02 -0.68 1.05 0.00 0.00 0.00 179.25 179.60 2ogk h GLU 80 N 0.00 0.00 -0.05 0.00 -0.00 -1.78 -2.01 114.58 110.75 2ogk h GLU 80 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 59.13 2ogk h GLU 80 Cb 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.80 2ogk h GLU 80 CO -0.00 0.68 -0.91 0.93 -0.00 0.00 0.00 179.01 179.71 2ogk h GLU 81 N 0.00 0.61 -0.97 1.06 4.39 -0.53 -1.72 114.58 117.42 2ogk h GLU 81 Ca -0.01 -0.59 0.06 0.00 0.34 0.00 0.00 59.36 59.16 2ogk h GLU 81 Cb 1.21 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.95 2ogk h GLU 81 CO 0.09 1.20 0.62 0.82 -1.16 0.00 0.00 179.01 180.58 2ogk h ILE 82 N 0.37 1.10 -0.43 3.13 1.08 -1.19 -1.84 117.51 119.74 2ogk h ILE 82 Ca -0.08 -0.40 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2ogk h ILE 82 Cb 1.54 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 2ogk h ILE 82 CO 0.17 0.21 0.07 -0.07 -0.69 0.00 0.00 178.15 177.84 2ogk h LEU 83 N 1.15 0.68 -0.00 1.44 3.38 -1.09 -2.36 115.31 118.52 2ogk h LEU 83 Ca 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2ogk h LEU 83 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2ogk h LEU 83 CO -0.16 0.77 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 2ogk n SER 84 N -4.49 0.22 -0.17 -0.43 3.41 -0.67 -3.65 113.62 107.84 2ogk n SER 84 Ca -0.00 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 2ogk n SER 84 Cb 0.24 -0.58 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.70 1.70 -0.28 6.66 -2.24 -0.72 -4.78 114.28 112.92 2ogk n THR 85 Ca 0.07 -1.89 0.09 0.00 -2.27 0.00 0.00 64.05 60.04 2ogk n THR 85 Cb 0.36 -0.05 0.24 0.00 -2.10 0.00 0.00 70.33 68.78 2ogk n THR 85 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ogk h LEU 86 N 0.27 0.28 -1.73 3.22 3.38 -1.49 -0.95 115.31 118.29 2ogk h LEU 86 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ogk h LEU 86 Cb 0.93 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2ogk h LEU 86 CO 0.02 0.05 0.00 -0.08 0.09 0.00 0.00 178.44 178.52 2ogk h GLU 87 N 0.42 0.00 -0.15 1.13 4.57 -1.89 -2.02 114.58 116.64 2ogk h GLU 87 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2ogk h GLU 87 Cb 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2ogk h GLU 87 CO -0.47 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.11 2ogk n ASP 88 N -2.53 2.50 -0.05 1.04 8.00 -0.37 -4.49 116.55 120.64 2ogk n ASP 88 Ca -0.01 -1.72 -0.05 0.00 0.71 0.00 0.00 54.79 53.72 2ogk n ASP 88 Cb 0.10 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2ogk n ASP 88 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ogk n ARG 89 N 0.79 2.17 -3.29 -1.24 1.74 -0.81 -4.93 116.66 111.09 2ogk n ARG 89 Ca 0.10 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 2ogk n ARG 89 Cb 0.39 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.28 5.08 0.77 0.55 1.01 -0.92 -1.31 121.20 124.11 2ogk s ILE 90 Ca -0.05 0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 2ogk s ILE 90 Cb 0.03 -3.86 0.17 0.00 0.01 0.00 0.00 42.46 38.81 2ogk s ILE 90 CO 0.44 -0.07 1.06 -0.90 0.00 0.00 0.00 174.94 175.47 2ogk n ASP 91 N 5.57 0.40 0.00 3.58 5.68 -0.74 -4.89 116.55 126.15 2ogk n ASP 91 Ca -0.06 -1.58 0.09 0.00 -0.50 0.00 0.00 54.79 52.74 2ogk n ASP 91 Cb 0.49 -0.78 0.51 0.00 -1.14 0.00 0.00 41.12 40.21 2ogk n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2ogk n GLU 92 N -3.17 0.44 -0.54 0.11 1.02 -1.26 -1.40 120.64 115.84 2ogk n GLU 92 Ca 0.14 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 2ogk n GLU 92 Cb 0.50 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.74 2ogk n GLU 92 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2ogk n GLN 93 N -1.12 3.55 -2.27 3.49 1.13 -1.26 -4.92 117.38 115.97 2ogk n GLN 93 Ca 0.12 -2.79 -0.20 0.00 -1.94 0.00 0.00 57.00 52.19 2ogk n GLN 93 Cb 0.10 -1.82 -0.02 0.00 0.11 0.00 0.00 30.24 28.61 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 0.82 -5.66 -4.73 1.08 3.02 -0.49 -4.89 115.26 104.41 2ogk n ASN 94 Ca 0.23 0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.48 2ogk n ASN 94 Cb 0.84 -4.71 -0.08 0.00 -0.61 0.00 0.00 39.78 35.22 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 -2.96 5.38 -0.24 2.41 1.01 -1.26 -2.57 120.40 122.18 2ogk s VAL 95 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2ogk s VAL 95 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2ogk s VAL 95 CO 0.00 0.43 0.50 -0.22 0.00 0.00 0.00 175.10 175.81 2ogk s LEU 96 N 0.36 4.09 -0.21 3.92 2.96 -0.55 -1.79 118.68 127.46 2ogk s LEU 96 Ca 0.10 0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 54.50 2ogk s LEU 96 Cb -0.12 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2ogk s LEU 96 CO -0.00 -0.23 0.07 -1.00 -1.32 0.00 0.00 176.35 173.87 2ogk s HIS 97 N 2.00 3.19 -0.06 5.38 3.76 -0.42 -1.56 115.29 127.57 2ogk s HIS 97 Ca 0.22 -0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 55.02 2ogk s HIS 97 Cb -0.15 -2.15 0.03 0.00 1.11 0.00 0.00 32.58 31.42 2ogk s HIS 97 CO 0.09 -0.04 0.03 0.42 -0.85 0.00 0.00 174.74 174.39 2ogk s ILE 98 N 0.88 0.17 -0.14 0.60 1.01 -0.55 -4.82 121.20 118.35 2ogk s ILE 98 Ca 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 2ogk s ILE 98 Cb -0.14 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2ogk s ILE 98 CO 0.03 0.20 -0.09 -0.13 0.00 0.00 0.00 174.94 174.94 2ogk s ARG 99 N 2.05 3.50 0.10 2.79 3.00 -1.26 0.66 118.95 129.79 2ogk s ARG 99 Ca 0.05 -0.62 0.05 0.00 0.00 0.00 0.00 55.73 55.21 2ogk s ARG 99 Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 34.95 32.04 2ogk s ARG 99 CO -0.04 0.22 -0.00 0.42 0.00 0.00 0.00 175.30 175.89 2ogk s ILE 100 N 0.36 3.97 -0.24 1.52 1.09 -0.13 -2.33 121.20 125.44 2ogk s ILE 100 Ca -0.08 -1.03 -0.28 0.00 -1.10 0.00 0.00 60.65 58.15 2ogk s ILE 100 Cb -0.15 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 2ogk s ILE 100 CO 0.05 0.10 1.98 -0.62 -0.10 0.00 0.00 174.94 176.35 2ogk s ASP 101 N -2.35 5.80 0.41 3.58 -1.08 0.72 -0.58 116.67 123.16 2ogk s ASP 101 Ca 0.26 1.72 0.12 0.00 -0.52 0.00 0.00 52.55 54.12 2ogk s ASP 101 Cb -0.11 -2.52 0.94 0.00 -1.46 0.00 0.00 42.92 39.76 2ogk s ASP 101 CO 0.18 -1.72 1.96 0.50 0.52 0.00 0.00 175.17 176.61 2ogk h LYS 102 N 13.43 0.51 0.13 4.34 1.63 -1.88 -2.18 116.57 132.55 2ogk h LYS 102 Ca -0.38 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 2ogk h LYS 102 Cb 1.20 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2ogk h LYS 102 CO 0.99 0.34 -0.06 1.96 -3.45 0.00 0.00 179.45 179.22 2ogk h GLN 103 N 0.53 -0.17 -0.03 1.90 1.08 -1.89 -2.85 115.11 113.68 2ogk h GLN 103 Ca 0.31 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.54 2ogk h GLN 103 Cb 0.53 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2ogk h GLN 103 CO -0.10 0.28 0.04 0.87 -0.95 0.00 0.00 178.83 178.97 2ogk h LYS 104 N -0.89 0.00 -0.28 1.46 1.57 -1.81 -0.62 116.57 115.99 2ogk h LYS 104 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2ogk h LYS 104 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2ogk h LYS 104 CO 0.03 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.84 2ogk h ALA 105 N 1.96 0.39 -0.97 3.86 0.00 -1.25 0.29 119.26 123.53 2ogk h ALA 105 Ca 0.02 -0.28 0.24 0.00 0.00 0.00 0.00 54.91 54.89 2ogk h ALA 105 Cb 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2ogk h ALA 105 CO -0.00 0.21 0.64 -0.92 0.00 0.00 0.00 179.25 179.18 2ogk h TYR 106 N 0.30 0.53 -0.78 0.00 3.20 -0.86 0.36 116.97 119.72 2ogk h TYR 106 Ca 0.07 0.02 -0.45 0.00 3.14 0.00 0.00 58.73 61.51 2ogk h TYR 106 Cb 0.55 -0.16 -0.24 0.00 1.54 0.00 0.00 36.73 38.43 2ogk h TYR 106 CO 0.05 0.10 0.58 1.28 -1.64 0.00 0.00 178.16 178.53 2ogk n LEU 107 N -4.52 6.41 -3.53 2.82 4.77 -0.93 -4.67 117.00 117.34 2ogk n LEU 107 Ca 0.22 -3.42 -0.26 0.00 -0.03 0.00 0.00 56.01 52.52 2ogk n LEU 107 Cb 0.81 -0.86 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2ogk n LEU 107 CO 0.30 1.10 0.01 0.61 -1.33 0.00 0.00 177.39 178.07 2ogk n GLY 108 N -0.63 -0.49 2.90 -0.72 0.00 0.13 -4.97 105.19 101.40 2ogk n GLY 108 Ca 0.48 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.34 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 -6.20 1.48 -0.25 1.61 2.12 0.05 -4.99 118.70 112.52 2ogk s GLU 109 Ca 0.49 -0.57 -0.26 0.00 0.36 0.00 0.00 54.97 54.98 2ogk s GLU 109 Cb -0.25 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.06 2ogk s GLU 109 CO 0.60 -0.44 0.91 0.08 -0.54 0.00 0.00 175.26 175.87 2ogk s VAL 110 N 1.60 4.76 -0.05 3.70 1.01 -1.26 -2.88 120.40 127.28 2ogk s VAL 110 Ca 0.00 1.71 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 2ogk s VAL 110 Cb -0.16 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.06 2ogk s VAL 110 CO -0.08 -0.15 0.10 -0.55 0.00 0.00 0.00 175.10 174.42 2ogk s SER 111 N 1.33 0.52 0.31 3.32 0.15 -1.26 -4.69 113.70 113.38 2ogk s SER 111 Ca 0.39 0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.92 2ogk s SER 111 Cb -0.15 0.05 -0.10 0.00 -1.71 0.00 0.00 66.02 64.11 2ogk s SER 111 CO 0.08 -0.20 1.40 -0.76 1.20 0.00 0.00 173.24 174.95 2ogk s LEU 112 N 1.73 4.39 0.04 3.45 1.43 -1.26 -0.20 118.68 128.26 2ogk s LEU 112 Ca -0.02 2.75 0.01 0.00 -1.03 0.00 0.00 54.13 55.85 2ogk s LEU 112 Cb -0.12 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2ogk s LEU 112 CO -0.04 -0.67 -0.06 0.28 0.23 0.00 0.00 176.35 176.09 2ogk s THR 113 N -0.68 0.39 -2.10 5.49 -1.32 -0.98 -4.74 115.64 111.71 2ogk s THR 113 Ca 0.54 -1.16 0.19 0.00 -1.21 0.00 0.00 61.69 60.05 2ogk s THR 113 Cb -0.42 -0.66 0.30 0.00 -1.51 0.00 0.00 72.50 70.21 2ogk s THR 113 CO 0.51 -0.51 1.24 -1.20 -2.21 0.00 0.00 174.62 172.45 2ogk n SER 114 N 1.27 3.01 -4.59 8.08 7.64 -1.26 -4.77 113.62 123.00 2ogk n SER 114 Ca -0.22 -1.88 -0.31 0.00 1.01 0.00 0.00 58.87 57.47 2ogk n SER 114 Cb 0.56 -0.16 0.16 0.00 -1.01 0.00 0.00 64.21 63.76 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 1.16 -0.92 0.25 0.23 0.00 -1.26 -4.94 105.19 99.71 2ogk n GLY 115 Ca 0.15 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.56 2ogk n GLY 115 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ogk h GLY 116 N -1.87 0.00 -6.80 -0.02 0.00 -2.01 -3.38 103.07 88.98 2ogk h GLY 116 Ca -0.44 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.28 2ogk h GLY 116 CO 0.40 0.00 -0.79 -0.35 0.00 0.00 0.00 176.54 175.80 2ogk s ASP 117 N -5.87 3.20 0.09 0.19 2.15 -1.26 -5.10 116.67 110.06 2ogk s ASP 117 Ca 0.04 -2.84 0.01 0.00 0.43 0.00 0.00 52.55 50.19 2ogk s ASP 117 Cb 0.07 -0.89 0.01 0.00 -0.30 0.00 0.00 42.92 41.81 2ogk s ASP 117 CO 0.59 -0.22 0.05 -0.81 -0.17 0.00 0.00 175.17 174.62 2ogk n PRO 118 N 3.23 1.44 -3.67 4.34 -0.04 -1.26 -4.17 135.00 134.87 2ogk n PRO 118 Ca 0.16 -0.56 -0.39 0.00 -0.04 0.00 0.00 63.50 62.66 2ogk n PRO 118 Cb 0.38 0.08 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 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 -0.58 4.19 0.02 0.52 1.01 0.25 -4.61 121.20 122.00 2ogk s ILE 119 Ca 0.04 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 2ogk s ILE 119 Cb -0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2ogk s ILE 119 CO 0.03 -0.22 0.98 0.00 0.00 0.00 0.00 174.94 175.73 2ogk s ALA 120 N 1.48 3.18 -0.37 9.38 0.00 0.10 -0.96 121.76 134.57 2ogk s ALA 120 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.53 2ogk s ALA 120 Cb -0.19 -3.33 0.11 0.00 0.00 0.00 0.00 23.12 19.71 2ogk s ALA 120 CO 0.05 -0.20 0.12 0.08 0.00 0.00 0.00 175.76 175.81 2ogk s VAL 121 N 0.84 1.69 0.29 0.00 1.01 0.21 -0.30 120.40 124.14 2ogk s VAL 121 Ca 0.51 -2.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.29 2ogk s VAL 121 Cb -0.21 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2ogk s VAL 121 CO 0.28 -0.70 0.52 -0.54 0.00 0.00 0.00 175.10 174.66 2ogk s LYS 122 N 0.91 3.56 -0.16 2.72 -0.14 0.16 -1.48 119.74 125.30 2ogk s LYS 122 Ca 0.12 -0.18 -0.04 0.00 -1.36 0.00 0.00 55.97 54.51 2ogk s LYS 122 Cb -0.20 -2.69 0.08 0.00 -1.68 0.00 0.00 37.83 33.34 2ogk s LYS 122 CO -0.11 0.22 0.27 -0.51 -0.76 0.00 0.00 175.35 174.46 2ogk s LEU 123 N -3.79 -0.31 -0.02 3.17 1.02 -0.60 -1.62 118.68 116.53 2ogk s LEU 123 Ca 0.41 0.38 -0.28 0.00 0.02 0.00 0.00 54.13 54.67 2ogk s LEU 123 Cb -0.10 0.71 -0.03 0.00 0.02 0.00 0.00 46.19 46.78 2ogk s LEU 123 CO 0.32 -0.27 0.88 -0.60 0.02 0.00 0.00 176.35 176.71 2ogk s ARG 124 N 2.42 4.52 -0.09 1.70 3.52 -0.86 -1.49 118.95 128.67 2ogk s ARG 124 Ca 0.04 1.24 -0.00 0.00 -0.13 0.00 0.00 55.73 56.87 2ogk s ARG 124 Cb -0.13 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 2ogk s ARG 124 CO -0.10 -0.01 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.79 2ogk s LEU 125 N 0.93 3.08 -0.03 -0.88 1.43 -1.06 -1.30 118.68 120.85 2ogk s LEU 125 Ca 0.47 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2ogk s LEU 125 Cb -0.20 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2ogk s LEU 125 CO 0.25 0.29 -0.16 0.68 0.23 0.00 0.00 176.35 177.64 2ogk s VAL 126 N -0.38 1.28 0.12 -1.59 -7.23 0.74 -4.86 120.40 108.48 2ogk s VAL 126 Ca 0.05 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.55 2ogk s VAL 126 Cb -0.12 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2ogk s VAL 126 CO 0.02 0.37 0.03 0.42 -0.31 0.00 0.00 175.10 175.63 2ogk s THR 127 N -0.16 0.23 -0.18 5.32 -4.23 -1.26 -1.76 115.64 113.61 2ogk s THR 127 Ca 0.01 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2ogk s THR 127 Cb -0.08 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.83 2ogk s THR 127 CO 0.01 -0.56 -0.06 -0.47 -0.54 0.00 0.00 174.62 172.99 2ogk s TYR 128 N -3.95 1.90 0.93 3.99 5.04 -1.26 -2.79 117.35 121.21 2ogk s TYR 128 Ca 0.21 -1.25 -0.12 0.00 -2.44 0.00 0.00 57.07 53.47 2ogk s TYR 128 Cb 0.07 -1.40 0.15 0.00 0.35 0.00 0.00 41.96 41.13 2ogk s TYR 128 CO 0.00 -0.66 1.11 -2.14 -1.34 0.00 0.00 175.55 172.52 2ogk s PRO 129 N 1.57 0.98 -0.98 4.97 0.02 -1.26 -5.04 135.00 135.26 2ogk s PRO 129 Ca -0.00 0.46 -0.20 0.00 0.02 0.00 0.00 61.00 61.27 2ogk s PRO 129 Cb -0.16 -1.81 0.10 0.00 0.02 0.00 0.00 34.50 32.66 2ogk s PRO 129 CO -0.08 -2.34 1.26 0.45 -0.33 0.00 0.00 177.00 175.96 2ogk s SER 130 N -3.75 6.60 0.03 2.53 0.15 -1.12 -4.79 113.70 113.35 2ogk s SER 130 Ca 0.64 -1.86 0.06 0.00 0.70 0.00 0.00 55.95 55.49 2ogk s SER 130 Cb -0.16 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2ogk s SER 130 CO 0.55 -1.22 -0.17 -0.54 1.20 0.00 0.00 173.24 173.06 2ogk s LYS 131 N 3.52 1.20 0.26 5.44 1.02 -1.26 -5.01 119.74 124.91 2ogk s LYS 131 Ca 0.38 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 2ogk s LYS 131 Cb -0.03 -1.25 0.54 0.00 -0.52 0.00 0.00 37.83 36.57 2ogk s LYS 131 CO -0.09 0.32 1.74 -0.09 -0.92 0.00 0.00 175.35 176.31 2ogk h ARG 132 N 5.02 0.53 0.92 1.68 9.65 -1.98 0.44 114.38 130.63 2ogk h ARG 132 Ca -0.40 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.41 2ogk h ARG 132 Cb 1.17 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.64 2ogk h ARG 132 CO 0.44 0.35 -0.44 0.93 2.80 0.00 0.00 179.97 184.05 2ogk h GLU 133 N 0.54 -1.19 -0.29 0.20 3.07 -1.97 0.15 114.58 115.10 2ogk h GLU 133 Ca 0.46 0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.40 2ogk h GLU 133 Cb 0.70 0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 2ogk h GLU 133 CO -0.40 -0.79 0.17 1.57 -1.40 0.00 0.00 179.01 178.16 2ogk h LYS 134 N -1.24 0.38 0.03 2.33 5.09 -1.66 -2.21 116.57 119.30 2ogk h LYS 134 Ca -0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 60.65 60.58 2ogk h LYS 134 Cb 0.94 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 33.19 2ogk h LYS 134 CO 0.21 0.27 -0.02 0.28 -2.09 0.00 0.00 179.45 178.10 2ogk h VAL 135 N 0.39 1.25 -0.47 0.07 2.07 0.19 -2.36 116.25 117.39 2ogk h VAL 135 Ca 0.10 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2ogk h VAL 135 Cb -0.01 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2ogk h VAL 135 CO -0.02 0.23 0.11 -0.29 0.02 0.00 0.00 177.57 177.62 2ogk h ILE 136 N -0.44 1.20 -0.49 4.57 -0.00 -0.56 -0.67 117.51 121.13 2ogk h ILE 136 Ca -0.00 -0.73 -0.01 0.00 -0.00 0.00 0.00 64.86 64.12 2ogk h ILE 136 Cb 0.41 0.73 -0.02 0.00 -0.00 0.00 0.00 36.82 37.94 2ogk h ILE 136 CO 0.01 0.27 0.27 -0.08 -0.00 0.00 0.00 178.15 178.61 2ogk h GLU 137 N 0.68 0.68 -0.04 2.19 4.81 -1.38 0.61 114.58 122.12 2ogk h GLU 137 Ca 0.15 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2ogk h GLU 137 Cb 0.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2ogk h GLU 137 CO -0.00 0.53 0.02 0.35 -0.73 0.00 0.00 179.01 179.17 2ogk h PHE 138 N 0.64 0.07 -0.75 0.92 3.57 -0.85 -2.32 116.94 118.22 2ogk h PHE 138 Ca 0.17 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2ogk h PHE 138 Cb 0.05 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 2ogk h PHE 138 CO -0.02 0.22 0.47 0.00 -2.23 0.00 0.00 178.31 176.75 2ogk h ALA 139 N 0.84 0.98 -0.02 2.41 0.00 -0.97 0.20 119.26 122.71 2ogk h ALA 139 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ogk h ALA 139 Cb 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ogk h ALA 139 CO -0.00 0.27 0.02 -0.09 0.00 0.00 0.00 179.25 179.45 2ogk h ARG 140 N 0.92 0.00 0.04 0.00 2.43 -0.70 -2.29 114.38 114.79 2ogk h ARG 140 Ca 0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2ogk h ARG 140 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2ogk h ARG 140 CO -0.11 0.00 -0.02 0.93 -1.51 0.00 0.00 179.97 179.26 2ogk h GLU 141 N 0.00 -0.05 -0.84 0.20 5.08 -0.10 -3.21 114.58 115.65 2ogk h GLU 141 Ca 0.01 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.62 2ogk h GLU 141 Cb 0.05 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2ogk h GLU 141 CO -0.00 0.57 1.04 -0.07 -1.00 0.00 0.00 179.01 179.55 2ogk h LEU 142 N -0.77 0.00 -4.35 1.33 4.07 -0.55 0.64 115.31 115.68 2ogk h LEU 142 Ca -0.01 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.58 2ogk h LEU 142 Cb 0.65 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.27 2ogk h LEU 142 CO 0.01 0.00 0.21 0.00 -1.08 0.00 0.00 178.44 177.58