#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwk s ARG 1 N 0.00 3.26 0.50 1.43 6.06 -1.26 -5.09 118.95 123.85 2wwk s ARG 1 Ca 0.00 -0.43 -0.22 0.00 -2.50 0.00 0.00 55.73 52.58 2wwk s ARG 1 Cb 0.00 -2.86 -0.06 0.00 0.06 0.00 0.00 34.95 32.08 2wwk s ARG 1 CO 0.00 0.54 1.18 0.20 -2.50 0.00 0.00 175.30 174.72 2wwk s GLY 2 N -0.42 2.76 -0.15 8.12 0.00 -1.26 -4.92 107.32 111.44 2wwk s GLY 2 Ca 0.08 0.97 -0.00 0.00 0.00 0.00 0.00 44.72 45.76 2wwk s GLY 2 CO 0.02 1.41 -0.07 -0.42 0.00 0.00 0.00 173.10 174.03 2wwk s ILE 3 N -1.56 1.20 0.74 0.90 1.01 -0.25 -4.95 121.20 118.29 2wwk s ILE 3 Ca 0.68 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 60.59 2wwk s ILE 3 Cb -0.29 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 40.93 2wwk s ILE 3 CO 0.35 0.23 1.22 -2.84 0.00 0.00 0.00 174.94 173.89 2wwk s PRO 4 N 1.61 2.06 0.55 2.79 0.02 -1.26 -0.94 135.00 139.83 2wwk s PRO 4 Ca 0.02 1.80 -0.20 0.00 0.02 0.00 0.00 61.00 62.63 2wwk s PRO 4 Cb -0.14 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 2wwk s PRO 4 CO -0.08 -1.91 1.22 -2.14 -0.33 0.00 0.00 177.00 173.76 2wwk s PRO 5 N -3.91 3.23 -0.15 5.54 0.02 -1.26 -4.34 135.00 134.13 2wwk s PRO 5 Ca 0.75 1.86 -0.04 0.00 0.02 0.00 0.00 61.00 63.59 2wwk s PRO 5 Cb -0.30 -2.11 0.08 0.00 0.02 0.00 0.00 34.50 32.19 2wwk s PRO 5 CO 0.46 -1.01 0.25 0.21 -0.33 0.00 0.00 177.00 176.58 2wwk s LYS 6 N -3.10 0.16 0.12 5.54 2.47 -0.65 -4.47 119.74 119.81 2wwk s LYS 6 Ca 0.73 0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 55.40 2wwk s LYS 6 Cb -0.31 -0.42 -0.06 0.00 -1.46 0.00 0.00 37.83 35.58 2wwk s LYS 6 CO 0.35 -0.41 0.96 0.42 0.16 0.00 0.00 175.35 176.82 2wwk s ILE 7 N 2.39 4.48 0.00 5.43 1.01 -1.26 -1.51 121.20 131.73 2wwk s ILE 7 Ca 0.04 2.07 0.00 0.00 0.00 0.00 0.00 60.65 62.75 2wwk s ILE 7 Cb -0.13 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.02 2wwk s ILE 7 CO -0.10 0.33 0.00 -0.62 0.00 0.00 0.00 174.94 174.55 2wwk n GLU 8 N 2.70 0.50 -1.80 2.79 1.02 -0.24 -4.98 120.64 120.63 2wwk n GLU 8 Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 2wwk n GLU 8 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2wwk n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wwk s ALA 9 N -3.71 3.57 -0.02 0.62 0.00 -1.26 -4.86 121.76 116.10 2wwk s ALA 9 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2wwk s ALA 9 Cb 0.00 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.54 2wwk s ALA 9 CO 0.00 -1.07 0.03 -1.17 0.00 0.00 0.00 175.76 173.55 2wwk s LEU 10 N -2.11 1.14 0.45 0.00 2.96 -1.26 -4.65 118.68 115.21 2wwk s LEU 10 Ca 0.53 0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 54.24 2wwk s LEU 10 Cb -0.47 -0.07 -0.09 0.00 0.50 0.00 0.00 46.19 46.06 2wwk s LEU 10 CO 0.63 -0.12 1.11 -2.65 -1.32 0.00 0.00 176.35 174.01 2wwk n PRO 11 N 4.11 1.52 0.09 0.98 -0.02 -1.26 -4.91 135.00 135.50 2wwk n PRO 11 Ca -0.27 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.63 2wwk n PRO 11 Cb 0.51 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 2wwk n PRO 11 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wwk h SER 12 N 1.61 0.31 -3.70 2.55 4.64 -1.95 -3.39 113.55 113.62 2wwk h SER 12 Ca -0.46 -0.31 -0.23 0.00 -0.47 0.00 0.00 61.79 60.32 2wwk h SER 12 Cb 1.32 -0.10 -0.28 0.00 -0.31 0.00 0.00 62.40 63.03 2wwk h SER 12 CO 0.57 1.20 -0.66 -1.81 -0.87 0.00 0.00 176.83 175.27 2wwk s ASP 13 N -7.01 -0.05 0.05 4.97 1.01 -1.26 -1.26 116.67 113.13 2wwk s ASP 13 Ca -0.03 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.35 2wwk s ASP 13 Cb 0.08 0.10 -0.03 0.00 1.01 0.00 0.00 42.92 44.08 2wwk s ASP 13 CO 0.86 -0.04 -0.04 0.27 0.21 0.00 0.00 175.17 176.43 2wwk s ILE 14 N 0.23 0.31 0.05 0.77 -4.36 -0.38 -4.93 121.20 112.89 2wwk s ILE 14 Ca -0.02 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 58.85 2wwk s ILE 14 Cb -0.03 -1.18 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 2wwk s ILE 14 CO -0.01 -0.81 -0.12 -0.44 0.24 0.00 0.00 174.94 173.80 2wwk s SER 15 N -2.49 1.40 -0.12 4.36 0.01 -1.26 -0.97 113.70 114.63 2wwk s SER 15 Ca 0.01 -0.50 -0.15 0.00 1.31 0.00 0.00 55.95 56.62 2wwk s SER 15 Cb 0.02 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.23 2wwk s SER 15 CO -0.06 -0.05 0.40 -0.51 0.41 0.00 0.00 173.24 173.42 2wwk s ILE 16 N -1.05 0.01 0.32 1.44 1.10 -0.78 -4.96 121.20 117.29 2wwk s ILE 16 Ca -0.02 -0.10 -0.27 0.00 -0.51 0.00 0.00 60.65 59.75 2wwk s ILE 16 Cb -0.09 -0.60 -0.09 0.00 0.15 0.00 0.00 42.46 41.83 2wwk s ILE 16 CO 0.01 -0.06 0.99 -1.81 -2.11 0.00 0.00 174.94 171.97 2wwk s ASP 17 N -0.18 7.24 0.26 4.50 1.11 -1.26 -0.76 116.67 127.58 2wwk s ASP 17 Ca -0.03 1.96 -0.31 0.00 0.18 0.00 0.00 52.55 54.35 2wwk s ASP 17 Cb -0.03 -2.59 -0.13 0.00 1.07 0.00 0.00 42.92 41.24 2wwk s ASP 17 CO 0.02 -0.14 1.40 1.21 1.18 0.00 0.00 175.17 178.84 2wwk n GLU 18 N 0.64 2.10 0.00 8.23 2.13 0.15 -2.46 120.64 131.42 2wwk n GLU 18 Ca 0.02 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2wwk n GLU 18 Cb 0.49 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.80 2wwk n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wwk n GLY 19 N 1.94 1.09 4.01 8.31 0.00 0.28 -4.90 105.19 115.92 2wwk n GLY 19 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 2wwk n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwk s LYS 20 N -0.77 2.71 -0.11 1.61 -0.14 -1.03 -4.22 119.74 117.78 2wwk s LYS 20 Ca 0.00 -1.34 -0.12 0.00 -1.36 0.00 0.00 55.97 53.15 2wwk s LYS 20 Cb 0.00 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 2wwk s LYS 20 CO 0.00 -0.38 0.27 0.08 -0.76 0.00 0.00 175.35 174.56 2wwk s VAL 21 N -2.42 5.30 -0.10 3.17 1.01 -1.26 -0.91 120.40 125.18 2wwk s VAL 21 Ca 0.56 0.51 0.03 0.00 0.00 0.00 0.00 61.98 63.08 2wwk s VAL 21 Cb -0.09 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2wwk s VAL 21 CO 0.34 0.50 -0.20 -0.22 0.00 0.00 0.00 175.10 175.51 2wwk s LEU 22 N -0.28 2.30 -0.08 3.92 2.96 -0.41 -4.98 118.68 122.11 2wwk s LEU 22 Ca 0.17 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2wwk s LEU 22 Cb -0.13 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.08 2wwk s LEU 22 CO 0.06 0.18 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.18 2wwk s THR 23 N 0.26 1.71 -0.10 3.68 2.01 -1.26 -0.86 115.64 121.08 2wwk s THR 23 Ca -0.14 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.04 2wwk s THR 23 Cb -0.17 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.88 2wwk s THR 23 CO 0.07 0.48 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.67 2wwk s VAL 24 N 0.32 1.31 0.02 3.82 1.01 -0.04 -5.00 120.40 121.84 2wwk s VAL 24 Ca -0.13 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2wwk s VAL 24 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2wwk s VAL 24 CO 0.06 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.40 2wwk s ALA 25 N 1.06 2.64 -0.12 5.51 0.00 -1.26 -1.05 121.76 128.54 2wwk s ALA 25 Ca -0.06 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 2wwk s ALA 25 Cb -0.15 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.20 2wwk s ALA 25 CO -0.02 0.57 0.30 0.00 0.00 0.00 0.00 175.76 176.62 2wwk s ALA 27 N 1.00 3.69 0.22 0.00 0.00 -1.26 -0.95 121.76 124.46 2wwk s ALA 27 Ca -0.07 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 2wwk s ALA 27 Cb -0.08 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.88 2wwk s ALA 27 CO -0.07 -0.38 0.61 -0.59 0.00 0.00 0.00 175.76 175.33 2wwk s PHE 28 N -2.58 -0.18 0.35 0.00 -0.12 -0.74 -1.08 117.98 113.63 2wwk s PHE 28 Ca 0.48 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 57.26 2wwk s PHE 28 Cb -0.10 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.75 2wwk s PHE 28 CO 0.39 -1.03 -0.04 0.95 -0.05 0.00 0.00 175.22 175.44 2wwk s THR 29 N -3.88 1.95 0.00 -4.49 -4.23 -0.57 -4.52 115.64 99.90 2wwk s THR 29 Ca 0.09 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2wwk s THR 29 Cb -0.03 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2wwk s THR 29 CO -0.00 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2wwk n GLY 30 N -0.80 4.22 2.68 3.99 0.00 -1.26 -1.63 105.19 112.38 2wwk n GLY 30 Ca -0.05 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 2wwk n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wwk s GLU 31 N -2.25 -0.04 0.89 1.61 2.56 -0.11 -3.60 118.70 117.76 2wwk s GLU 31 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 54.97 55.19 2wwk s GLU 31 Cb 0.00 -0.69 0.13 0.00 2.00 0.00 0.00 34.13 35.57 2wwk s GLU 31 CO 0.00 -0.38 1.11 -2.14 -0.56 0.00 0.00 175.26 173.29 2wwk s PRO 32 N 2.18 1.23 -0.03 4.30 0.02 -1.26 -1.09 135.00 140.34 2wwk s PRO 32 Ca 0.04 1.27 -0.38 0.00 0.02 0.00 0.00 61.00 61.95 2wwk s PRO 32 Cb -0.13 -1.77 -0.17 0.00 0.02 0.00 0.00 34.50 32.46 2wwk s PRO 32 CO -0.04 -2.39 1.45 2.41 -0.33 0.00 0.00 177.00 178.09 2wwk n THR 33 N -4.04 0.09 -2.23 0.99 -1.04 -1.24 -4.84 114.28 101.97 2wwk n THR 33 Ca 0.09 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.76 2wwk n THR 33 Cb 0.53 -0.89 -0.01 0.00 -1.82 0.00 0.00 70.33 68.14 2wwk n THR 33 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2wwk s PRO 34 N 1.39 3.52 0.01 -2.82 0.02 -1.26 -4.91 135.00 130.95 2wwk s PRO 34 Ca 0.89 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.85 2wwk s PRO 34 Cb -1.01 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.41 2wwk s PRO 34 CO 0.53 -0.65 1.02 -2.00 -0.33 0.00 0.00 177.00 175.57 2wwk s GLU 35 N -3.80 4.54 -0.17 5.54 2.12 0.09 -4.88 118.70 122.14 2wwk s GLU 35 Ca 0.64 1.49 -0.10 0.00 0.36 0.00 0.00 54.97 57.36 2wwk s GLU 35 Cb -0.16 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 2wwk s GLU 35 CO 0.31 -0.09 0.16 0.08 -0.54 0.00 0.00 175.26 175.19 2wwk s VAL 36 N 1.01 5.41 -0.09 3.70 1.01 -1.26 -2.00 120.40 128.17 2wwk s VAL 36 Ca 0.53 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2wwk s VAL 36 Cb -0.23 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2wwk s VAL 36 CO 0.28 0.48 -0.07 -0.89 0.00 0.00 0.00 175.10 174.90 2wwk s THR 37 N 0.01 0.89 -0.12 3.92 2.01 0.05 -5.02 115.64 117.38 2wwk s THR 37 Ca 0.11 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 2wwk s THR 37 Cb -0.12 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2wwk s THR 37 CO 0.01 0.33 0.10 0.26 -0.69 0.00 0.00 174.62 174.63 2wwk s TRP 38 N 1.40 3.46 0.05 4.92 0.52 -1.26 -0.65 118.94 127.37 2wwk s TRP 38 Ca -0.02 0.41 -0.01 0.00 0.02 0.00 0.00 56.10 56.51 2wwk s TRP 38 Cb -0.13 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2wwk s TRP 38 CO -0.04 0.62 -0.03 -1.54 0.02 0.00 0.00 176.95 175.98 2wwk s SER 39 N -0.86 0.48 -0.11 2.95 1.04 0.14 -0.46 113.70 116.87 2wwk s SER 39 Ca 0.14 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 2wwk s SER 39 Cb -0.12 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.22 2wwk s SER 39 CO 0.03 -0.52 0.25 0.00 0.98 0.00 0.00 173.24 173.98 2wwk n GLY 41 N 4.12 0.19 1.92 0.00 0.00 -1.26 -1.96 105.19 108.21 2wwk n GLY 41 Ca -0.24 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2wwk n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwk n GLY 42 N -1.02 0.49 3.10 -0.02 0.00 -1.26 -5.03 105.19 101.45 2wwk n GLY 42 Ca -0.18 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 2wwk n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwk s ARG 43 N -0.57 1.86 0.31 1.61 0.52 -0.83 -5.09 118.95 116.75 2wwk s ARG 43 Ca 0.00 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 2wwk s ARG 43 Cb 0.00 -1.56 -0.11 0.00 0.52 0.00 0.00 34.95 33.80 2wwk s ARG 43 CO 0.00 0.17 1.52 0.21 0.02 0.00 0.00 175.30 177.22 2wwk s LYS 44 N 0.26 4.16 -0.14 3.54 2.20 -1.26 -1.53 119.74 126.97 2wwk s LYS 44 Ca -0.09 2.50 -0.21 0.00 -0.36 0.00 0.00 55.97 57.82 2wwk s LYS 44 Cb -0.13 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 2wwk s LYS 44 CO 0.03 -0.54 0.60 0.42 -0.36 0.00 0.00 175.35 175.50 2wwk s ILE 45 N -0.34 5.08 -0.24 5.43 -1.09 0.39 -4.90 121.20 125.52 2wwk s ILE 45 Ca 0.59 1.19 -0.06 0.00 -2.23 0.00 0.00 60.65 60.13 2wwk s ILE 45 Cb -0.46 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.46 2wwk s ILE 45 CO 0.51 0.21 0.04 -1.00 -1.23 0.00 0.00 174.94 173.48 2wwk s HIS 46 N 1.22 3.06 0.17 3.97 3.76 -1.26 -4.67 115.29 121.54 2wwk s HIS 46 Ca 0.30 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 2wwk s HIS 46 Cb -0.16 -2.21 -0.08 0.00 1.11 0.00 0.00 32.58 31.24 2wwk s HIS 46 CO 0.12 -0.40 1.21 0.45 -0.85 0.00 0.00 174.74 175.28 2wwk s SER 47 N 1.57 7.06 0.01 1.40 0.15 -1.26 -4.84 113.70 117.79 2wwk s SER 47 Ca 0.06 2.23 0.00 0.00 0.70 0.00 0.00 55.95 58.94 2wwk s SER 47 Cb -0.15 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 2wwk s SER 47 CO 0.02 -0.40 -0.01 -1.10 1.20 0.00 0.00 173.24 172.94 2wwk s GLN 48 N -0.06 0.13 0.10 5.44 -0.21 -1.11 -4.95 119.66 119.00 2wwk s GLN 48 Ca 0.54 -0.23 -0.27 0.00 0.02 0.00 0.00 55.36 55.43 2wwk s GLN 48 Cb -0.33 0.01 -0.11 0.00 1.00 0.00 0.00 33.01 33.58 2wwk s GLN 48 CO 0.36 -0.01 1.66 0.93 -2.12 0.00 0.00 175.29 176.11 2wwk h GLU 49 N 5.61 -0.40 -6.89 2.91 5.08 -1.96 -3.39 114.58 115.53 2wwk h GLU 49 Ca -0.27 0.03 -0.47 0.00 -1.00 0.00 0.00 59.36 57.64 2wwk h GLU 49 Cb 1.21 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2wwk h GLU 49 CO 0.47 -0.27 0.20 -0.65 -1.00 0.00 0.00 179.01 177.77 2wwk s GLN 50 N -6.10 4.04 0.00 2.33 -0.21 -1.26 -4.94 119.66 113.51 2wwk s GLN 50 Ca -0.15 0.81 0.00 0.00 0.02 0.00 0.00 55.36 56.04 2wwk s GLN 50 Cb 0.07 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.76 2wwk s GLN 50 CO 0.65 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 2wwk n GLY 51 N -0.70 1.63 0.01 3.09 0.00 -1.26 -4.87 105.19 103.08 2wwk n GLY 51 Ca 0.05 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.08 2wwk n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwk n ARG 52 N 0.43 0.28 -3.84 1.61 1.74 -1.26 -4.89 116.66 110.73 2wwk n ARG 52 Ca 0.00 -0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 56.65 2wwk n ARG 52 Cb 0.00 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 29.81 2wwk n ARG 52 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wwk s PHE 53 N -3.22 3.23 -0.01 -1.55 0.40 -1.26 -0.14 117.98 115.44 2wwk s PHE 53 Ca 0.02 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.38 2wwk s PHE 53 Cb 0.15 -2.18 -0.00 0.00 0.51 0.00 0.00 43.02 41.50 2wwk s PHE 53 CO 0.87 0.00 -0.07 -1.01 0.70 0.00 0.00 175.22 175.71 2wwk s HIS 54 N 0.90 0.68 -0.07 0.36 3.76 -0.11 -2.76 115.29 118.05 2wwk s HIS 54 Ca 0.05 -0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 2wwk s HIS 54 Cb -0.13 -0.46 0.02 0.00 1.11 0.00 0.00 32.58 33.12 2wwk s HIS 54 CO 0.03 -0.03 -0.08 0.42 -0.85 0.00 0.00 174.74 174.22 2wwk s ILE 55 N -0.06 0.89 -0.22 0.60 1.01 -1.26 -0.35 121.20 121.82 2wwk s ILE 55 Ca 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2wwk s ILE 55 Cb -0.04 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.58 2wwk s ILE 55 CO -0.00 0.32 -0.14 -1.61 0.00 0.00 0.00 174.94 173.50 2wwk s GLU 56 N 1.05 2.79 -0.11 2.79 8.01 -0.27 -4.93 118.70 128.03 2wwk s GLU 56 Ca -0.08 -0.98 0.03 0.00 0.01 0.00 0.00 54.97 53.95 2wwk s GLU 56 Cb -0.14 -2.75 -0.01 0.00 -4.31 0.00 0.00 34.13 26.91 2wwk s GLU 56 CO -0.01 -0.34 -0.20 -0.80 0.01 0.00 0.00 175.26 173.93 2wwk s ASN 57 N 1.26 3.46 0.00 -0.19 0.01 -1.26 -0.74 114.94 117.47 2wwk s ASN 57 Ca 0.01 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 2wwk s ASN 57 Cb -0.16 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.09 2wwk s ASN 57 CO -0.09 0.18 0.00 0.35 -1.51 0.00 0.00 177.10 176.03 2wwk n THR 58 N 3.43 0.00 0.25 1.60 -2.24 -0.07 -5.02 114.28 112.23 2wwk n THR 58 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 2wwk n THR 58 Cb 0.53 -0.21 0.61 0.00 -2.10 0.00 0.00 70.33 69.16 2wwk n THR 58 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2wwk h ASP 59 N 0.00 0.00 0.00 3.42 2.03 -1.98 -3.34 116.42 116.55 2wwk h ASP 59 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wwk h ASP 59 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2wwk h ASP 59 CO 0.00 0.16 -0.32 -0.90 -1.03 0.00 0.00 179.24 177.16 2wwk n ASP 60 N -3.47 0.00 -3.76 4.15 5.68 -1.26 -4.76 116.55 113.12 2wwk n ASP 60 Ca -0.01 -1.63 -0.13 0.00 -0.50 0.00 0.00 54.79 52.52 2wwk n ASP 60 Cb 0.33 -0.13 -0.10 0.00 -1.14 0.00 0.00 41.12 40.08 2wwk n ASP 60 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2wwk s LEU 61 N 0.00 0.80 -0.03 -2.12 2.96 -1.26 -1.79 118.68 117.24 2wwk s LEU 61 Ca 0.00 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 2wwk s LEU 61 Cb 0.00 1.15 -0.00 0.00 0.50 0.00 0.00 46.19 47.84 2wwk s LEU 61 CO 0.00 -0.21 -0.15 0.28 -1.32 0.00 0.00 176.35 174.95 2wwk s THR 62 N -0.28 1.21 -0.12 3.68 -1.32 -0.13 -0.89 115.64 117.79 2wwk s THR 62 Ca -0.04 -0.61 0.02 0.00 -1.21 0.00 0.00 61.69 59.85 2wwk s THR 62 Cb -0.03 -1.04 0.01 0.00 -1.51 0.00 0.00 72.50 69.93 2wwk s THR 62 CO 0.02 0.35 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.73 2wwk s THR 63 N -0.00 1.59 -0.18 5.08 2.01 0.08 -1.05 115.64 123.17 2wwk s THR 63 Ca -0.02 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 2wwk s THR 63 Cb -0.10 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2wwk s THR 63 CO 0.01 0.46 0.02 -0.22 -0.69 0.00 0.00 174.62 174.20 2wwk s LEU 64 N 0.99 3.51 -0.07 4.42 2.96 -0.21 -1.11 118.68 129.16 2wwk s LEU 64 Ca -0.06 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2wwk s LEU 64 Cb -0.15 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2wwk s LEU 64 CO -0.02 0.14 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.32 2wwk s ILE 65 N 0.57 1.69 -0.18 6.68 1.01 0.53 -0.86 121.20 130.65 2wwk s ILE 65 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2wwk s ILE 65 Cb -0.14 -1.47 0.03 0.00 0.01 0.00 0.00 42.46 40.89 2wwk s ILE 65 CO 0.02 0.48 -0.15 -0.63 0.00 0.00 0.00 174.94 174.65 2wwk s ILE 66 N 0.29 1.86 0.26 2.92 1.01 -0.04 -0.93 121.20 126.57 2wwk s ILE 66 Ca -0.12 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.48 2wwk s ILE 66 Cb -0.15 -1.78 -0.07 0.00 0.01 0.00 0.00 42.46 40.47 2wwk s ILE 66 CO 0.05 0.38 0.59 -0.04 0.00 0.00 0.00 174.94 175.92 2wwk s MET 67 N 1.34 3.80 -1.13 2.79 -1.94 0.80 -1.29 119.30 123.68 2wwk s MET 67 Ca 0.02 0.30 -0.25 0.00 -1.71 0.00 0.00 55.69 54.05 2wwk s MET 67 Cb -0.14 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.12 2wwk s MET 67 CO -0.11 0.25 0.71 -3.47 -0.01 0.00 0.00 175.02 172.40 2wwk n ASP 68 N -0.37 -4.73 -4.77 3.03 2.03 -1.10 -4.75 116.55 105.88 2wwk n ASP 68 Ca 0.01 -1.14 -0.40 0.00 0.52 0.00 0.00 54.79 53.78 2wwk n ASP 68 Cb 0.53 -2.32 0.00 0.00 -0.72 0.00 0.00 41.12 38.61 2wwk n ASP 68 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wwk s VAL 69 N -3.43 2.19 0.25 5.18 -7.23 -0.09 -4.57 120.40 112.70 2wwk s VAL 69 Ca 0.42 0.18 0.11 0.00 -1.81 0.00 0.00 61.98 60.88 2wwk s VAL 69 Cb -0.20 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.58 2wwk s VAL 69 CO 0.92 0.04 -0.14 -1.10 -0.31 0.00 0.00 175.10 174.51 2wwk s GLN 70 N -2.21 1.88 0.45 4.82 -0.21 -1.26 -0.56 119.66 122.57 2wwk s GLN 70 Ca 0.56 -1.57 0.16 0.00 0.02 0.00 0.00 55.36 54.53 2wwk s GLN 70 Cb -0.44 -1.95 1.09 0.00 1.00 0.00 0.00 33.01 32.72 2wwk s GLN 70 CO 0.58 0.36 1.96 0.87 -2.12 0.00 0.00 175.29 176.95 2wwk h LYS 71 N 2.38 0.34 0.00 2.91 1.57 -1.96 -0.34 116.57 121.48 2wwk h LYS 71 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2wwk h LYS 71 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2wwk h LYS 71 CO 0.58 0.22 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 2wwk n GLN 72 N -4.46 0.18 0.11 3.15 10.64 -1.26 -2.27 117.38 123.47 2wwk n GLN 72 Ca 0.11 0.49 0.13 0.00 -1.83 0.00 0.00 57.00 55.91 2wwk n GLN 72 Cb 0.46 -1.91 0.35 0.00 -0.86 0.00 0.00 30.24 28.28 2wwk n GLN 72 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2wwk h ASP 73 N 0.00 0.00 -4.04 2.61 3.32 -1.46 -3.46 116.42 113.40 2wwk h ASP 73 Ca 0.00 -0.03 -0.54 0.00 0.02 0.00 0.00 57.03 56.48 2wwk h ASP 73 Cb 0.26 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.92 2wwk h ASP 73 CO 0.00 0.01 0.57 -0.83 -1.72 0.00 0.00 179.24 177.27 2wwk s GLY 74 N -3.66 2.85 0.00 2.75 0.00 -0.96 -4.94 107.32 103.37 2wwk s GLY 74 Ca 0.10 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.02 2wwk s GLY 74 CO 0.62 1.71 0.00 0.61 0.00 0.00 0.00 173.10 176.04 2wwk n GLY 75 N 0.64 0.29 3.63 0.20 0.00 -0.37 -4.99 105.19 104.59 2wwk n GLY 75 Ca 0.10 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2wwk n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wwk s LEU 76 N 0.00 4.07 -0.10 0.99 2.96 -1.26 -0.77 118.68 124.57 2wwk s LEU 76 Ca 0.00 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 2wwk s LEU 76 Cb 0.00 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 2wwk s LEU 76 CO 0.00 -0.56 0.05 -0.31 -1.32 0.00 0.00 176.35 174.21 2wwk s TYR 77 N 2.91 3.30 -0.12 5.38 1.51 0.40 -4.21 117.35 126.52 2wwk s TYR 77 Ca 0.35 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.69 2wwk s TYR 77 Cb -0.15 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2wwk s TYR 77 CO 0.09 0.52 -0.14 0.99 -1.11 0.00 0.00 175.55 175.90 2wwk s THR 78 N -0.82 2.97 -0.23 -0.71 2.01 -0.03 -1.03 115.64 117.80 2wwk s THR 78 Ca 0.13 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 2wwk s THR 78 Cb -0.12 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 2wwk s THR 78 CO 0.03 0.54 0.15 -0.22 -0.69 0.00 0.00 174.62 174.42 2wwk s LEU 79 N 0.19 4.06 -0.00 4.42 2.96 0.37 -0.68 118.68 130.00 2wwk s LEU 79 Ca -0.08 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2wwk s LEU 79 Cb -0.15 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 2wwk s LEU 79 CO 0.05 0.08 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.55 2wwk s SER 80 N 0.99 2.02 -0.01 3.68 0.01 0.18 -1.29 113.70 119.27 2wwk s SER 80 Ca 0.07 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.04 2wwk s SER 80 Cb -0.13 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2wwk s SER 80 CO 0.04 0.18 -0.19 -0.76 0.41 0.00 0.00 173.24 172.93 2wwk s LEU 81 N -0.57 2.03 0.00 2.44 1.43 -0.00 -0.77 118.68 123.24 2wwk s LEU 81 Ca 0.06 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2wwk s LEU 81 Cb -0.07 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2wwk s LEU 81 CO -0.00 0.23 -0.07 -0.83 0.23 0.00 0.00 176.35 175.91 2wwk s GLY 82 N -0.43 0.33 0.06 -3.19 0.00 -0.85 -1.33 107.32 101.91 2wwk s GLY 82 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2wwk s GLY 82 CO -0.01 -0.29 0.08 1.16 0.00 0.00 0.00 173.10 174.04 2wwk n ASN 83 N 2.77 -0.21 0.00 1.64 0.23 -0.56 -0.73 115.26 118.39 2wwk n ASN 83 Ca -0.14 -1.35 0.06 0.00 -0.53 0.00 0.00 54.58 52.62 2wwk n ASN 83 Cb 0.57 0.40 0.27 0.00 -2.08 0.00 0.00 39.78 38.94 2wwk n ASN 83 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2wwk n GLU 84 N -0.11 0.07 0.00 -3.83 4.71 -1.26 -2.76 120.64 117.47 2wwk n GLU 84 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 2wwk n GLU 84 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 2wwk n GLU 84 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2wwk n PHE 85 N -1.40 0.00 -3.10 -0.32 3.72 -1.26 -5.12 117.46 109.98 2wwk n PHE 85 Ca 0.04 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2wwk n PHE 85 Cb 0.11 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2wwk n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wwk n GLY 86 N -0.03 -1.15 3.21 1.37 0.00 -1.11 -4.55 105.19 102.93 2wwk n GLY 86 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 2wwk n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wwk s SER 87 N -3.65 0.22 0.08 1.61 1.04 -1.26 -1.50 113.70 110.24 2wwk s SER 87 Ca 0.00 -1.13 -0.15 0.00 0.48 0.00 0.00 55.95 55.15 2wwk s SER 87 Cb 0.00 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.49 2wwk s SER 87 CO 0.00 -0.78 0.35 -0.62 0.98 0.00 0.00 173.24 173.16 2wwk s ASP 88 N -3.03 -0.16 0.03 7.02 2.15 -0.44 -4.77 116.67 117.45 2wwk s ASP 88 Ca 0.23 -0.25 -0.10 0.00 0.43 0.00 0.00 52.55 52.86 2wwk s ASP 88 Cb 0.06 0.41 0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2wwk s ASP 88 CO 0.02 -0.72 0.22 -0.94 -0.17 0.00 0.00 175.17 173.58 2wwk s SER 89 N -2.39 -0.02 0.11 -0.34 1.04 -1.26 -0.82 113.70 110.03 2wwk s SER 89 Ca -0.01 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.04 2wwk s SER 89 Cb 0.01 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.43 2wwk s SER 89 CO -0.07 -0.53 0.28 0.00 0.98 0.00 0.00 173.24 173.90 2wwk s ALA 90 N -2.27 -0.43 0.12 5.32 0.00 -0.41 -5.00 121.76 119.09 2wwk s ALA 90 Ca -0.07 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.49 2wwk s ALA 90 Cb -0.02 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2wwk s ALA 90 CO -0.02 -0.58 -0.18 0.95 0.00 0.00 0.00 175.76 175.93 2wwk s THR 91 N -3.86 1.62 -0.03 0.00 -4.23 -1.26 -0.48 115.64 107.40 2wwk s THR 91 Ca 0.06 -1.69 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2wwk s THR 91 Cb 0.04 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.28 2wwk s THR 91 CO -0.10 -0.24 -0.05 0.54 -0.54 0.00 0.00 174.62 174.24 2wwk s VAL 92 N -1.68 0.51 -0.32 2.29 0.11 -0.20 -4.61 120.40 116.51 2wwk s VAL 92 Ca 0.09 -0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 2wwk s VAL 92 Cb -0.07 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2wwk s VAL 92 CO 0.05 0.19 0.32 0.21 -3.33 0.00 0.00 175.10 172.54 2wwk s ASN 93 N 0.54 6.15 -0.24 3.54 2.47 -0.39 -0.46 114.94 126.56 2wwk s ASN 93 Ca -0.07 -0.15 -0.10 0.00 0.42 0.00 0.00 52.86 52.96 2wwk s ASN 93 Cb -0.10 -2.18 -0.05 0.00 -1.45 0.00 0.00 41.25 37.47 2wwk s ASN 93 CO 0.00 -0.26 0.14 -0.63 -3.72 0.00 0.00 177.10 172.64 2wwk s ILE 94 N 1.94 5.14 -0.18 -5.21 1.01 0.05 -1.25 121.20 122.70 2wwk s ILE 94 Ca 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 2wwk s ILE 94 Cb -0.16 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2wwk s ILE 94 CO 0.11 0.34 -0.08 -1.00 0.00 0.00 0.00 174.94 174.31 2wwk s HIS 95 N 1.21 2.92 -0.21 3.97 3.76 -0.14 -1.24 115.29 125.54 2wwk s HIS 95 Ca 0.07 -0.76 -0.09 0.00 -0.15 0.00 0.00 55.06 54.13 2wwk s HIS 95 Cb -0.14 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 2wwk s HIS 95 CO 0.05 -0.36 0.10 0.42 -0.85 0.00 0.00 174.74 174.11 2wwk s ILE 96 N 0.92 4.95 -0.20 0.60 -1.09 -1.26 -1.87 121.20 123.25 2wwk s ILE 96 Ca -0.01 0.03 -0.15 0.00 -2.23 0.00 0.00 60.65 58.29 2wwk s ILE 96 Cb -0.15 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2wwk s ILE 96 CO 0.00 0.40 0.37 -0.13 -1.23 0.00 0.00 174.94 174.35 2wwk s ARG 97 N 0.82 4.17 0.00 2.79 0.52 0.06 -4.90 118.95 122.40 2wwk s ARG 97 Ca 0.05 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 2wwk s ARG 97 Cb -0.13 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.81 2wwk s ARG 97 CO 0.02 -0.02 0.00 0.43 0.02 0.00 0.00 175.30 175.76