#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djk n PRO 2 N 0.00 1.72 -5.18 1.61 -0.02 -1.26 -4.98 135.00 126.89 2djk n PRO 2 Ca 0.00 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.80 2djk n PRO 2 Cb 0.00 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 30.96 2djk n PRO 2 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2djk s LEU 3 N 1.79 2.04 -0.28 2.45 1.98 -1.26 -5.11 118.68 120.29 2djk s LEU 3 Ca 0.86 -0.48 -0.02 0.00 -2.89 0.00 0.00 54.13 51.59 2djk s LEU 3 Cb -0.82 -1.30 0.16 0.00 0.66 0.00 0.00 46.19 44.90 2djk s LEU 3 CO 0.47 0.22 0.52 -0.83 -1.89 0.00 0.00 176.35 174.84 2djk s GLY 4 N -0.08 -0.76 -0.39 7.98 0.00 -1.26 -5.06 107.32 107.75 2djk s GLY 4 Ca -0.05 1.52 0.10 0.00 0.00 0.00 0.00 44.72 46.29 2djk s GLY 4 CO 0.04 3.08 0.65 1.44 0.00 0.00 0.00 173.10 178.32 2djk n SER 5 N 5.41 0.27 -4.76 1.64 7.64 -1.26 -5.12 113.62 117.43 2djk n SER 5 Ca -0.03 -2.90 -0.41 0.00 1.01 0.00 0.00 58.87 56.55 2djk n SER 5 Cb 0.51 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2djk n SER 5 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2djk s PRO 6 N -1.64 4.49 0.01 1.43 0.02 -1.26 -4.99 135.00 133.07 2djk s PRO 6 Ca 0.37 2.00 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 2djk s PRO 6 Cb 0.26 -3.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.55 2djk s PRO 6 CO -0.10 -0.02 0.99 -0.07 -0.33 0.00 0.00 177.00 177.47 2djk h LEU 7 N 3.90 -0.48 -9.42 -5.54 4.07 -2.00 -3.43 115.31 102.41 2djk h LEU 7 Ca -0.47 0.02 -0.54 0.00 0.08 0.00 0.00 57.88 56.97 2djk h LEU 7 Cb 1.22 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 2djk h LEU 7 CO 0.68 -0.28 0.39 0.27 -1.08 0.00 0.00 178.44 178.42 2djk s ILE 8 N -3.82 4.77 0.00 1.22 -4.36 -1.26 -4.37 121.20 113.37 2djk s ILE 8 Ca -0.08 2.00 0.00 0.00 -0.26 0.00 0.00 60.65 62.30 2djk s ILE 8 Cb 0.01 -4.28 0.00 0.00 1.25 0.00 0.00 42.46 39.44 2djk s ILE 8 CO 0.25 0.16 0.00 0.61 0.24 0.00 0.00 174.94 176.20 2djk n GLY 9 N 2.91 -0.91 2.78 6.27 0.00 0.18 -4.75 105.19 111.68 2djk n GLY 9 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2djk n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2djk s GLU 10 N 0.00 0.12 -0.05 1.61 -1.05 -1.26 -2.13 118.70 115.94 2djk s GLU 10 Ca 0.00 0.33 0.06 0.00 -0.15 0.00 0.00 54.97 55.21 2djk s GLU 10 Cb 0.00 -0.89 -0.02 0.00 -0.44 0.00 0.00 34.13 32.79 2djk s GLU 10 CO 0.00 -0.51 -0.22 0.42 0.95 0.00 0.00 175.26 175.90 2djk s ILE 11 N 2.30 2.36 0.03 1.83 1.01 -0.84 -4.72 121.20 123.16 2djk s ILE 11 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2djk s ILE 11 Cb -0.14 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 2djk s ILE 11 CO -0.09 0.58 0.01 0.61 0.00 0.00 0.00 174.94 176.05 2djk n GLY 12 N 2.63 4.04 0.02 6.18 0.00 -1.26 -4.81 105.19 111.99 2djk n GLY 12 Ca -0.17 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.03 2djk n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djk n PRO 13 N -0.07 1.03 -1.17 1.61 -0.04 -1.26 -3.55 135.00 131.55 2djk n PRO 13 Ca -0.00 -0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2djk n PRO 13 Cb 0.05 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2djk n PRO 13 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2djk n GLU 14 N -0.76 0.00 0.00 0.54 0.28 -1.26 -4.89 120.64 114.55 2djk n GLU 14 Ca 0.14 -1.44 0.00 0.00 -0.16 0.00 0.00 57.16 55.71 2djk n GLU 14 Cb 0.07 0.11 0.00 0.00 1.43 0.00 0.00 31.44 33.06 2djk n GLU 14 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2djk n THR 15 N 0.25 0.00 0.01 3.84 -2.24 -1.23 -4.71 114.28 110.19 2djk n THR 15 Ca -0.06 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.89 2djk n THR 15 Cb 0.91 -0.57 0.64 0.00 -2.10 0.00 0.00 70.33 69.22 2djk n THR 15 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2djk h TYR 16 N 0.00 0.10 -0.18 4.78 -0.00 -1.91 0.09 116.97 119.86 2djk h TYR 16 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.73 58.78 2djk h TYR 16 Cb 0.86 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.55 2djk h TYR 16 CO 0.00 0.05 0.26 0.77 -0.00 0.00 0.00 178.16 179.24 2djk h SER 17 N 0.09 0.00 0.20 0.10 0.02 -1.91 0.48 113.55 112.53 2djk h SER 17 Ca 0.23 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.86 2djk h SER 17 Cb 0.80 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.36 2djk h SER 17 CO -0.02 0.00 -1.53 0.44 -1.14 0.00 0.00 176.83 174.58 2djk h ASP 18 N 0.00 0.67 1.57 3.07 3.32 -1.30 -0.82 116.42 122.93 2djk h ASP 18 Ca 0.08 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.21 2djk h ASP 18 Cb 0.60 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2djk h ASP 18 CO -0.00 1.71 0.00 1.88 -1.72 0.00 0.00 179.24 181.11 2djk h TYR 19 N 0.03 0.00 0.03 4.55 0.05 -1.24 0.28 116.97 120.67 2djk h TYR 19 Ca -0.29 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.19 2djk h TYR 19 Cb 2.05 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.74 2djk h TYR 19 CO 0.12 0.00 -1.73 1.98 -1.05 0.00 0.00 178.16 177.48 2djk h MET 20 N 0.00 0.06 -0.00 4.88 4.05 -0.18 -3.34 114.93 120.40 2djk h MET 20 Ca 0.00 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2djk h MET 20 Cb 0.78 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2djk h MET 20 CO 0.00 0.67 -0.47 0.45 0.23 0.00 0.00 176.91 177.79 2djk n SER 21 N -3.16 0.69 0.20 1.39 2.88 -0.31 -4.24 113.62 111.08 2djk n SER 21 Ca -0.19 -0.48 -0.13 0.00 -1.33 0.00 0.00 58.87 56.73 2djk n SER 21 Cb 1.05 0.27 -0.07 0.00 -0.75 0.00 0.00 64.21 64.71 2djk n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djk h ALA 22 N 3.19 -0.54 0.00 -1.46 0.00 -1.06 -3.48 119.26 115.90 2djk h ALA 22 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2djk h ALA 22 Cb 0.51 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2djk h ALA 22 CO 0.00 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.03 2djk n GLY 23 N -0.32 1.96 3.24 0.00 0.00 -1.26 -5.11 105.19 103.71 2djk n GLY 23 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2djk n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2djk s ILE 24 N -1.96 0.51 0.38 -0.61 -4.36 -1.26 -4.68 121.20 109.21 2djk s ILE 24 Ca 0.00 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 58.14 2djk s ILE 24 Cb 0.00 -2.27 -0.09 0.00 1.25 0.00 0.00 42.46 41.34 2djk s ILE 24 CO 0.00 -0.31 1.33 -2.84 0.24 0.00 0.00 174.94 173.36 2djk s PRO 25 N -3.98 4.10 -0.19 0.37 0.02 -1.25 -3.91 135.00 130.15 2djk s PRO 25 Ca 0.29 2.24 -0.06 0.00 0.02 0.00 0.00 61.00 63.48 2djk s PRO 25 Cb 0.07 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 2djk s PRO 25 CO 0.07 -0.41 0.04 -1.17 -0.33 0.00 0.00 177.00 175.19 2djk s LEU 26 N -2.20 3.61 -0.92 -5.54 0.20 0.35 0.09 118.68 114.28 2djk s LEU 26 Ca 0.54 -0.02 -0.12 0.00 0.69 0.00 0.00 54.13 55.22 2djk s LEU 26 Cb -0.40 -1.91 0.24 0.00 -0.43 0.00 0.00 46.19 43.69 2djk s LEU 26 CO 0.52 0.13 0.87 0.00 -0.29 0.00 0.00 176.35 177.58 2djk s ALA 27 N 0.60 4.29 0.20 5.97 0.00 0.12 -0.28 121.76 132.66 2djk s ALA 27 Ca 0.02 -3.51 -0.30 0.00 0.00 0.00 0.00 51.96 48.17 2djk s ALA 27 Cb -0.13 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 2djk s ALA 27 CO 0.02 -2.25 1.08 0.71 0.00 0.00 0.00 175.76 175.32 2djk s TYR 28 N -0.36 3.63 -0.46 0.00 1.51 0.26 -1.72 117.35 120.21 2djk s TYR 28 Ca 0.22 1.65 0.02 0.00 -1.01 0.00 0.00 57.07 57.96 2djk s TYR 28 Cb -0.10 -3.25 0.14 0.00 -0.11 0.00 0.00 41.96 38.64 2djk s TYR 28 CO -0.09 -0.48 0.27 0.42 -1.11 0.00 0.00 175.55 174.56 2djk s ILE 29 N -0.46 1.36 0.46 2.71 1.09 -0.08 0.03 121.20 126.31 2djk s ILE 29 Ca 0.48 -2.69 -0.22 0.00 -1.10 0.00 0.00 60.65 57.11 2djk s ILE 29 Cb -0.29 -1.95 -0.08 0.00 -1.06 0.00 0.00 42.46 39.08 2djk s ILE 29 CO 0.36 -0.95 1.12 -0.36 -0.10 0.00 0.00 174.94 175.01 2djk s PHE 30 N 0.18 2.96 -0.29 3.97 0.40 0.18 -0.61 117.98 124.77 2djk s PHE 30 Ca 0.20 1.57 -0.09 0.00 -0.60 0.00 0.00 56.93 58.00 2djk s PHE 30 Cb -0.19 -3.28 0.13 0.00 0.51 0.00 0.00 43.02 40.19 2djk s PHE 30 CO -0.04 -1.23 0.63 0.00 0.70 0.00 0.00 175.22 175.28 2djk s ALA 31 N -1.64 -1.97 -1.25 5.36 0.00 0.12 0.28 121.76 122.65 2djk s ALA 31 Ca 0.64 2.25 0.21 0.00 0.00 0.00 0.00 51.96 55.06 2djk s ALA 31 Cb -0.25 -1.75 1.01 0.00 0.00 0.00 0.00 23.12 22.13 2djk s ALA 31 CO 0.30 -0.93 1.68 0.39 0.00 0.00 0.00 175.76 177.21 2djk n GLU 32 N 5.44 0.18 -3.14 0.00 1.02 -1.26 -2.47 120.64 120.41 2djk n GLU 32 Ca -0.11 0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 2djk n GLU 32 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 2djk n GLU 32 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2djk s THR 33 N -2.75 5.06 -0.40 2.62 -4.23 -1.26 -4.81 115.64 109.88 2djk s THR 33 Ca 0.16 1.20 0.04 0.00 -1.18 0.00 0.00 61.69 61.91 2djk s THR 33 Cb 0.14 -3.94 0.06 0.00 1.34 0.00 0.00 72.50 70.10 2djk s THR 33 CO 0.35 0.19 0.82 0.00 -0.54 0.00 0.00 174.62 175.45 2djk n ALA 34 N 4.42 2.30 -0.04 3.99 0.00 -1.26 -4.13 120.51 125.80 2djk n ALA 34 Ca -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.61 2djk n ALA 34 Cb 0.51 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 2djk n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2djk n GLU 35 N 0.05 0.66 -0.55 0.00 2.13 -1.26 -4.64 120.64 117.03 2djk n GLU 35 Ca 0.03 0.04 0.08 0.00 0.66 0.00 0.00 57.16 57.97 2djk n GLU 35 Cb 0.19 -1.15 0.31 0.00 0.27 0.00 0.00 31.44 31.06 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2djk n GLU 36 N -2.64 3.60 0.27 5.31 0.28 -1.26 -4.51 120.64 121.69 2djk n GLU 36 Ca -0.13 -2.80 0.15 0.00 -0.16 0.00 0.00 57.16 54.22 2djk n GLU 36 Cb 0.65 -1.85 0.87 0.00 1.43 0.00 0.00 31.44 32.55 2djk n GLU 36 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 2djk h ARG 37 N 3.26 0.00 -0.64 3.44 -0.00 -1.83 -2.01 114.38 116.61 2djk h ARG 37 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 59.98 60.02 2djk h ARG 37 Cb 1.42 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.35 2djk h ARG 37 CO 0.23 0.00 0.38 0.87 -0.00 0.00 0.00 179.97 181.45 2djk h LYS 38 N 0.00 0.71 -0.38 0.08 1.57 -1.93 0.24 116.57 116.86 2djk h LYS 38 Ca 0.02 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2djk h LYS 38 Cb 0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2djk h LYS 38 CO -0.00 0.47 -0.09 0.93 -0.57 0.00 0.00 179.45 180.19 2djk h GLU 39 N 0.73 0.74 0.30 3.15 5.08 -1.73 -0.30 114.58 122.55 2djk h GLU 39 Ca 0.26 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2djk h GLU 39 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2djk h GLU 39 CO -0.12 0.88 -0.14 1.25 -1.00 0.00 0.00 179.01 179.87 2djk h LEU 40 N 0.54 -0.34 -2.06 1.33 7.12 -1.39 -2.49 115.31 118.03 2djk h LEU 40 Ca 0.10 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 2djk h LEU 40 Cb 0.61 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.83 2djk h LEU 40 CO 0.04 -0.08 -0.07 0.28 -0.13 0.00 0.00 178.44 178.48 2djk h SER 41 N -0.60 0.00 0.63 1.25 0.02 -0.58 -2.39 113.55 111.88 2djk h SER 41 Ca -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2djk h SER 41 Cb 0.43 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.98 2djk h SER 41 CO 0.07 0.07 -0.30 -0.78 -1.14 0.00 0.00 176.83 174.74 2djk h ASP 42 N 0.00 -0.72 -1.11 3.07 3.58 -0.77 0.59 116.42 121.06 2djk h ASP 42 Ca -0.00 0.02 0.31 0.00 0.42 0.00 0.00 57.03 57.78 2djk h ASP 42 Cb 0.30 0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.46 2djk h ASP 42 CO 0.01 -0.40 0.76 0.11 -2.88 0.00 0.00 179.24 176.84 2djk h LYS 43 N -1.07 0.17 0.00 0.28 1.79 -1.29 1.81 116.57 118.26 2djk h LYS 43 Ca -0.09 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2djk h LYS 43 Cb 0.65 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2djk h LYS 43 CO 0.14 0.11 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.22 2djk h LEU 44 N 0.17 0.00 -0.68 2.94 3.38 -1.00 -2.97 115.31 117.15 2djk h LEU 44 Ca 0.58 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.65 2djk h LEU 44 Cb 1.92 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.60 2djk h LEU 44 CO -0.15 0.34 0.30 0.11 0.09 0.00 0.00 178.44 179.13 2djk h LYS 45 N 0.00 0.49 0.19 1.13 1.57 0.84 -1.32 116.57 119.47 2djk h LYS 45 Ca -0.00 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.41 2djk h LYS 45 Cb 1.09 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.31 2djk h LYS 45 CO 0.04 0.32 -1.60 -1.00 -0.57 0.00 0.00 179.45 176.64 2djk h PRO 46 N 0.50 0.41 -0.39 3.15 0.13 -1.61 -1.22 132.00 132.97 2djk h PRO 46 Ca 0.35 -0.70 0.11 0.00 -0.87 0.00 0.00 66.00 64.89 2djk h PRO 46 Cb 0.42 0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2djk h PRO 46 CO -0.31 1.32 0.60 0.82 -0.23 0.00 0.00 178.00 180.19 2djk h ILE 47 N 0.11 0.18 0.00 -3.56 2.04 -1.26 0.71 117.51 115.73 2djk h ILE 47 Ca -0.29 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 2djk h ILE 47 Cb 2.10 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 2djk h ILE 47 CO 0.21 0.00 -1.57 0.00 0.00 0.00 0.00 178.15 176.79 2djk n ALA 48 N -2.14 2.00 0.30 1.87 0.00 -0.55 -4.22 120.51 117.77 2djk n ALA 48 Ca 0.07 -0.47 0.20 0.00 0.00 0.00 0.00 53.44 53.24 2djk n ALA 48 Cb 0.75 -0.10 1.02 0.00 0.00 0.00 0.00 19.45 21.12 2djk n ALA 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2djk h GLU 49 N 0.00 0.00 0.00 0.00 4.81 0.39 1.76 114.58 121.54 2djk h GLU 49 Ca -0.16 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.81 2djk h GLU 49 Cb 1.15 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 2djk h GLU 49 CO 0.01 0.00 -1.69 0.00 -0.73 0.00 0.00 179.01 176.60 2djk n ALA 50 N -2.01 1.61 -2.03 2.92 0.00 -0.69 -4.19 120.51 116.12 2djk n ALA 50 Ca -0.02 -0.75 -0.19 0.00 0.00 0.00 0.00 53.44 52.47 2djk n ALA 50 Cb 0.10 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 18.76 2djk n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2djk n GLN 51 N -2.98 3.29 0.15 0.00 10.64 0.43 -4.75 117.38 124.16 2djk n GLN 51 Ca -0.16 -4.03 0.02 0.00 -1.83 0.00 0.00 57.00 50.99 2djk n GLN 51 Cb 1.01 -2.16 0.18 0.00 -0.86 0.00 0.00 30.24 28.40 2djk n GLN 51 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 2djk h ARG 52 N 2.08 0.00 -0.30 2.61 0.11 0.24 -1.11 114.38 118.01 2djk h ARG 52 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 2djk h ARG 52 Cb 1.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.55 2djk h ARG 52 CO 0.65 0.53 0.00 0.41 0.10 0.00 0.00 179.97 181.66 2djk n GLY 53 N 0.61 3.40 0.60 0.08 0.00 -1.26 -4.63 105.19 103.99 2djk n GLY 53 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2djk n GLY 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2djk n VAL 54 N -0.01 0.00 -4.66 1.61 3.14 -1.21 -5.08 118.33 112.12 2djk n VAL 54 Ca 0.16 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.24 2djk n VAL 54 Cb 0.66 -0.60 -0.13 0.00 -1.06 0.00 0.00 33.84 32.70 2djk n VAL 54 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2djk s ILE 55 N -1.74 2.50 -0.56 1.55 1.01 -0.43 -3.93 121.20 119.60 2djk s ILE 55 Ca 0.00 -1.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.07 2djk s ILE 55 Cb 0.00 -2.05 0.08 0.00 0.01 0.00 0.00 42.46 40.51 2djk s ILE 55 CO 0.00 0.28 0.69 0.20 0.00 0.00 0.00 174.94 176.11 2djk s ASN 56 N -1.56 6.20 0.16 3.58 0.01 0.11 -4.42 114.94 119.03 2djk s ASN 56 Ca 0.14 -1.20 -0.30 0.00 -0.71 0.00 0.00 52.86 50.79 2djk s ASN 56 Cb -0.10 -2.31 -0.07 0.00 0.41 0.00 0.00 41.25 39.18 2djk s ASN 56 CO 0.05 -1.05 0.95 0.12 -1.51 0.00 0.00 177.10 175.66 2djk s PHE 57 N 2.76 3.88 -0.29 2.20 5.36 -1.26 0.16 117.98 130.79 2djk s PHE 57 Ca 0.14 1.85 -0.14 0.00 -0.96 0.00 0.00 56.93 57.81 2djk s PHE 57 Cb -0.22 -3.03 0.10 0.00 -0.34 0.00 0.00 43.02 39.54 2djk s PHE 57 CO 0.09 0.30 0.70 0.20 -1.46 0.00 0.00 175.22 175.05 2djk s GLY 58 N -0.46 -0.63 0.34 13.12 0.00 -0.70 0.52 107.32 119.51 2djk s GLY 58 Ca 0.45 2.45 -0.09 0.00 0.00 0.00 0.00 44.72 47.52 2djk s GLY 58 CO 0.31 2.64 0.68 -0.51 0.00 0.00 0.00 173.10 176.21 2djk s THR 59 N 2.03 4.86 0.13 0.90 -4.23 -0.91 -0.90 115.64 117.53 2djk s THR 59 Ca -0.09 0.48 -0.09 0.00 -1.18 0.00 0.00 61.69 60.81 2djk s THR 59 Cb -0.07 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.06 2djk s THR 59 CO -0.19 -0.38 0.26 -0.51 -0.54 0.00 0.00 174.62 173.26 2djk s ILE 60 N -2.18 0.10 -0.30 2.99 2.07 0.22 -1.99 121.20 122.10 2djk s ILE 60 Ca 0.49 -1.23 -0.26 0.00 -1.41 0.00 0.00 60.65 58.24 2djk s ILE 60 Cb -0.10 -1.57 0.01 0.00 0.13 0.00 0.00 42.46 40.92 2djk s ILE 60 CO 0.28 -0.45 0.92 -0.62 -1.91 0.00 0.00 174.94 173.16 2djk s ASP 61 N -2.91 6.81 0.00 4.50 2.15 -1.26 0.14 116.67 126.11 2djk s ASP 61 Ca 0.11 0.90 0.16 0.00 0.43 0.00 0.00 52.55 54.14 2djk s ASP 61 Cb 0.04 -2.47 0.82 0.00 -0.30 0.00 0.00 42.92 41.01 2djk s ASP 61 CO -0.06 -0.70 1.55 0.00 -0.17 0.00 0.00 175.17 175.79 2djk n ALA 62 N 6.43 2.56 -0.09 3.66 0.00 -1.03 -0.65 120.51 131.39 2djk n ALA 62 Ca 0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2djk n ALA 62 Cb 0.47 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 2djk n ALA 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2djk n LYS 63 N -0.39 1.05 -0.03 0.00 4.81 -1.26 -3.82 118.16 118.52 2djk n LYS 63 Ca 0.12 0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.57 2djk n LYS 63 Cb 0.14 -1.42 -0.04 0.00 0.02 0.00 0.00 35.03 33.72 2djk n LYS 63 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2djk n ALA 64 N -2.78 1.86 0.34 3.14 0.00 -1.23 -4.65 120.51 117.19 2djk n ALA 64 Ca -0.30 -0.35 0.10 0.00 0.00 0.00 0.00 53.44 52.89 2djk n ALA 64 Cb 0.99 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 20.48 2djk n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2djk n PHE 65 N -2.33 0.00 -0.18 0.00 -0.00 0.01 -4.60 117.46 110.37 2djk n PHE 65 Ca -0.10 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.52 2djk n PHE 65 Cb 0.67 -0.32 0.32 0.00 -0.00 0.00 0.00 39.48 40.15 2djk n PHE 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2djk n GLY 66 N 1.36 -0.40 0.41 7.13 0.00 0.18 0.26 105.19 114.12 2djk n GLY 66 Ca -0.01 0.43 0.22 0.00 0.00 0.00 0.00 46.02 46.66 2djk n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djk h ALA 67 N 1.05 2.31 0.00 4.61 0.00 -1.87 1.07 119.26 126.44 2djk h ALA 67 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2djk h ALA 67 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2djk h ALA 67 CO -0.40 -0.79 -0.22 0.72 0.00 0.00 0.00 179.25 178.56 2djk n HIS 68 N -3.82 0.57 -0.00 0.00 -0.00 0.73 -2.85 115.22 109.85 2djk n HIS 68 Ca 0.10 0.17 -0.11 0.00 -0.00 0.00 0.00 57.72 57.88 2djk n HIS 68 Cb 0.73 -0.72 0.03 0.00 -0.00 0.00 0.00 29.99 30.03 2djk n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2djk h ALA 69 N 2.65 0.63 -0.02 -1.41 0.00 0.11 -3.28 119.26 117.95 2djk h ALA 69 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2djk h ALA 69 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2djk h ALA 69 CO 0.00 0.70 -0.03 0.41 0.00 0.00 0.00 179.25 180.33 2djk n GLY 70 N 0.35 -0.02 0.02 0.00 0.00 -1.22 -3.77 105.19 100.55 2djk n GLY 70 Ca -0.04 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.59 2djk n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2djk n ASN 71 N 0.71 0.08 -0.00 1.61 5.03 -1.13 -0.24 115.26 121.31 2djk n ASN 71 Ca 0.08 0.54 0.03 0.00 0.87 0.00 0.00 54.58 56.10 2djk n ASN 71 Cb 0.35 -0.55 -0.04 0.00 -1.02 0.00 0.00 39.78 38.52 2djk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2djk n LEU 72 N -1.61 0.16 0.00 3.41 -0.00 -1.26 -5.02 117.00 112.68 2djk n LEU 72 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 55.75 2djk n LEU 72 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2djk n LEU 72 CO 0.03 0.04 0.00 0.59 -0.00 0.00 0.00 177.39 178.04 2djk n ASN 73 N -1.43 0.00 -3.72 1.45 5.03 0.66 -4.73 115.26 112.52 2djk n ASN 73 Ca 0.00 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.36 2djk n ASN 73 Cb 0.14 0.02 0.05 0.00 -1.02 0.00 0.00 39.78 38.96 2djk n ASN 73 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2djk n LEU 74 N -1.48 -1.87 -0.03 3.41 4.77 -1.23 -4.82 117.00 115.74 2djk n LEU 74 Ca 0.00 -0.13 0.01 0.00 -0.03 0.00 0.00 56.01 55.86 2djk n LEU 74 Cb 0.00 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 2djk n LEU 74 CO 0.00 -2.45 -0.77 2.29 -1.33 0.00 0.00 177.39 175.13 2djk n LYS 75 N 0.83 1.13 -1.18 3.23 2.85 -1.26 -4.09 118.16 119.66 2djk n LYS 75 Ca 0.02 -0.07 -0.01 0.00 -1.05 0.00 0.00 58.31 57.20 2djk n LYS 75 Cb 0.18 -1.31 -0.00 0.00 -0.65 0.00 0.00 35.03 33.24 2djk n LYS 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2djk n THR 76 N -2.18 -0.01 0.01 0.58 -2.24 -1.26 -4.81 114.28 104.38 2djk n THR 76 Ca -0.10 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.50 2djk n THR 76 Cb 0.59 -0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 2djk n THR 76 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2djk h ASP 77 N 0.00 0.43 -2.69 3.42 5.19 -1.94 -3.47 116.42 117.37 2djk h ASP 77 Ca -0.02 -0.85 -0.53 0.00 -0.62 0.00 0.00 57.03 55.01 2djk h ASP 77 Cb 0.22 -0.14 -0.14 0.00 0.18 0.00 0.00 39.33 39.45 2djk h ASP 77 CO 0.03 1.24 -0.70 -0.75 -3.12 0.00 0.00 179.24 175.94 2djk s LYS 78 N -2.84 1.58 0.24 3.56 2.20 -1.26 -5.16 119.74 118.05 2djk s LYS 78 Ca -0.14 -1.78 -0.22 0.00 -0.36 0.00 0.00 55.97 53.48 2djk s LYS 78 Cb 0.02 -1.34 0.04 0.00 -1.51 0.00 0.00 37.83 35.03 2djk s LYS 78 CO 0.81 0.13 0.71 -0.06 -0.36 0.00 0.00 175.35 176.58 2djk s PHE 79 N -2.85 -0.27 0.84 4.03 0.40 -1.26 -4.44 117.98 114.42 2djk s PHE 79 Ca 0.29 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.39 2djk s PHE 79 Cb 0.01 0.67 0.10 0.00 0.51 0.00 0.00 43.02 44.31 2djk s PHE 79 CO 0.12 -1.11 1.16 -1.25 0.70 0.00 0.00 175.22 174.85 2djk s PRO 80 N -3.82 1.55 0.34 0.24 0.04 -1.26 -4.79 135.00 127.29 2djk s PRO 80 Ca 0.09 1.57 0.07 0.00 0.04 0.00 0.00 61.00 62.76 2djk s PRO 80 Cb -0.04 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 2djk s PRO 80 CO 0.02 -2.24 -0.02 0.00 0.04 0.00 0.00 177.00 174.79 2djk s ALA 81 N -2.47 2.73 -0.03 8.56 0.00 0.14 -4.84 121.76 125.86 2djk s ALA 81 Ca 0.68 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2djk s ALA 81 Cb -0.24 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2djk s ALA 81 CO 0.54 -0.11 0.01 0.12 0.00 0.00 0.00 175.76 176.31 2djk s PHE 82 N -2.90 0.24 -0.11 0.00 2.19 -1.26 0.50 117.98 116.64 2djk s PHE 82 Ca 0.33 0.03 -0.00 0.00 0.33 0.00 0.00 56.93 57.62 2djk s PHE 82 Cb 0.07 -0.35 0.02 0.00 -1.31 0.00 0.00 43.02 41.45 2djk s PHE 82 CO 0.16 -0.11 -0.08 0.00 1.83 0.00 0.00 175.22 177.01 2djk s ALA 83 N 0.99 1.29 -0.69 11.12 0.00 0.10 0.12 121.76 134.69 2djk s ALA 83 Ca -0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2djk s ALA 83 Cb -0.13 -0.86 0.18 0.00 0.00 0.00 0.00 23.12 22.31 2djk s ALA 83 CO -0.02 -0.35 0.60 0.42 0.00 0.00 0.00 175.76 176.41 2djk s ILE 84 N 1.58 4.95 0.18 0.00 1.01 -1.08 0.91 121.20 128.75 2djk s ILE 84 Ca 0.02 -2.33 -0.23 0.00 0.00 0.00 0.00 60.65 58.11 2djk s ILE 84 Cb -0.13 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 2djk s ILE 84 CO -0.07 -0.94 0.74 -1.58 0.00 0.00 0.00 174.94 173.10 2djk s GLN 85 N 0.50 4.42 -0.32 2.79 0.74 0.61 0.12 119.66 128.52 2djk s GLN 85 Ca 0.14 1.02 -0.04 0.00 0.05 0.00 0.00 55.36 56.53 2djk s GLN 85 Cb -0.18 -3.11 0.05 0.00 1.10 0.00 0.00 33.01 30.88 2djk s GLN 85 CO -0.05 0.51 0.05 -1.21 -0.55 0.00 0.00 175.29 174.03 2djk s GLU 86 N -1.47 2.51 0.00 1.67 2.02 0.44 0.13 118.70 124.00 2djk s GLU 86 Ca 0.38 -1.23 0.31 0.00 0.02 0.00 0.00 54.97 54.45 2djk s GLU 86 Cb -0.20 -3.31 1.76 0.00 0.10 0.00 0.00 34.13 32.49 2djk s GLU 86 CO 0.23 -0.64 2.16 0.28 0.02 0.00 0.00 175.26 177.31 2djk n VAL 87 N 4.71 0.00 -0.02 2.63 0.31 -1.25 0.92 118.33 125.62 2djk n VAL 87 Ca -0.13 -0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.98 2djk n VAL 87 Cb 0.44 -0.48 -0.13 0.00 -0.91 0.00 0.00 33.84 32.75 2djk n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2djk h ALA 88 N 3.81 0.37 -0.00 3.52 0.00 -1.84 -3.41 119.26 121.72 2djk h ALA 88 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 2djk h ALA 88 Cb 0.10 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2djk h ALA 88 CO 0.00 1.14 -0.05 1.17 0.00 0.00 0.00 179.25 181.50 2djk n LYS 89 N -3.74 5.85 -2.02 0.00 4.81 -1.23 -5.03 118.16 116.79 2djk n LYS 89 Ca -0.32 -0.06 -0.04 0.00 -0.87 0.00 0.00 58.31 57.03 2djk n LYS 89 Cb 0.95 -0.61 0.02 0.00 0.02 0.00 0.00 35.03 35.41 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2djk n ASN 90 N -0.92 -2.75 -4.54 3.14 5.15 0.26 -5.06 115.26 110.55 2djk n ASN 90 Ca 0.00 -0.16 -0.25 0.00 -0.60 0.00 0.00 54.58 53.57 2djk n ASN 90 Cb 0.02 -1.57 -0.11 0.00 -0.53 0.00 0.00 39.78 37.60 2djk n ASN 90 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2djk s GLN 91 N -3.61 1.80 -0.30 1.20 2.00 -0.89 -4.89 119.66 114.97 2djk s GLN 91 Ca 0.07 -1.95 -0.03 0.00 -2.00 0.00 0.00 55.36 51.46 2djk s GLN 91 Cb -0.01 -1.54 0.11 0.00 0.80 0.00 0.00 33.01 32.37 2djk s GLN 91 CO 0.17 0.06 0.18 0.15 -0.50 0.00 0.00 175.29 175.34 2djk s LYS 92 N -3.67 0.28 -1.06 1.67 -0.14 -1.25 0.17 119.74 115.74 2djk s LYS 92 Ca 0.33 -0.60 -0.05 0.00 -1.36 0.00 0.00 55.97 54.29 2djk s LYS 92 Cb 0.05 -1.08 0.29 0.00 -1.68 0.00 0.00 37.83 35.41 2djk s LYS 92 CO 0.16 -1.06 1.30 1.19 -0.76 0.00 0.00 175.35 176.19 2djk n PHE 93 N 5.05 3.29 -1.90 3.18 3.72 0.31 -4.40 117.46 126.72 2djk n PHE 93 Ca -0.02 -3.13 -0.30 0.00 -0.05 0.00 0.00 57.45 53.96 2djk n PHE 93 Cb 0.42 -1.33 0.07 0.00 -0.94 0.00 0.00 39.48 37.69 2djk n PHE 93 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2djk s PRO 94 N -2.29 2.40 0.43 -1.08 0.04 -1.26 -2.64 135.00 130.60 2djk s PRO 94 Ca 0.31 0.28 0.03 0.00 0.04 0.00 0.00 61.00 61.66 2djk s PRO 94 Cb 0.01 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2djk s PRO 94 CO 0.04 -1.32 0.61 0.12 0.04 0.00 0.00 177.00 176.49 2djk s PHE 95 N -3.47 3.09 1.24 0.56 5.36 0.33 -4.86 117.98 120.23 2djk s PHE 95 Ca 0.60 -0.02 -0.17 0.00 -0.96 0.00 0.00 56.93 56.39 2djk s PHE 95 Cb -0.11 -2.29 0.30 0.00 -0.34 0.00 0.00 43.02 40.58 2djk s PHE 95 CO 0.50 -0.34 1.01 -0.51 -1.46 0.00 0.00 175.22 174.43 2djk s ASP 96 N -4.25 0.45 -0.01 6.13 1.11 -1.26 -4.37 116.67 114.47 2djk s ASP 96 Ca 0.49 1.11 0.03 0.00 0.18 0.00 0.00 52.55 54.37 2djk s ASP 96 Cb -0.10 -1.68 -0.04 0.00 1.07 0.00 0.00 42.92 42.17 2djk s ASP 96 CO 0.35 -4.47 0.05 0.00 1.18 0.00 0.00 175.17 172.29 2djk n GLN 97 N -5.06 1.09 -0.63 8.23 1.13 -1.26 -4.59 117.38 116.29 2djk n GLN 97 Ca 0.07 -0.02 0.06 0.00 -1.94 0.00 0.00 57.00 55.17 2djk n GLN 97 Cb 0.57 -1.07 0.12 0.00 0.11 0.00 0.00 30.24 29.97 2djk n GLN 97 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2djk n GLU 98 N -1.75 0.91 -0.00 -1.09 0.28 -1.26 -4.58 120.64 113.14 2djk n GLU 98 Ca -0.02 -2.45 -0.00 0.00 -0.16 0.00 0.00 57.16 54.53 2djk n GLU 98 Cb 0.23 -1.06 -0.00 0.00 1.43 0.00 0.00 31.44 32.04 2djk n GLU 98 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2djk n LYS 99 N -0.68 0.03 0.00 3.44 3.00 -1.26 -5.07 118.16 117.61 2djk n LYS 99 Ca 0.12 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 2djk n LYS 99 Cb 0.78 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 35.08 2djk n LYS 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2djk n GLU 100 N -2.47 0.00 -3.00 1.64 2.13 -1.26 -5.10 120.64 112.58 2djk n GLU 100 Ca -0.01 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.37 2djk n GLU 100 Cb 0.02 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.71 2djk n GLU 100 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2djk s ILE 101 N 0.00 4.94 0.00 6.31 1.01 -1.26 -4.81 121.20 127.38 2djk s ILE 101 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.72 2djk s ILE 101 Cb 0.00 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.72 2djk s ILE 101 CO 0.00 -1.45 0.00 0.35 0.00 0.00 0.00 174.94 173.84 2djk n THR 102 N 5.06 0.00 -0.02 2.92 -2.24 -1.26 -5.01 114.28 113.73 2djk n THR 102 Ca 0.25 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.01 2djk n THR 102 Cb 0.47 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2djk n THR 102 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2djk n PHE 103 N 0.00 0.16 -0.36 4.78 7.35 -1.26 -3.52 117.46 124.61 2djk n PHE 103 Ca 0.00 0.07 0.28 0.00 -0.76 0.00 0.00 57.45 57.04 2djk n PHE 103 Cb 0.00 -0.30 0.57 0.00 0.35 0.00 0.00 39.48 40.10 2djk n PHE 103 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2djk h GLU 104 N -0.24 0.26 -0.09 -4.13 4.22 -1.97 0.79 114.58 113.43 2djk h GLU 104 Ca 0.00 -0.02 -0.15 0.00 0.08 0.00 0.00 59.36 59.28 2djk h GLU 104 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2djk h GLU 104 CO 0.00 0.18 -0.60 0.00 -2.18 0.00 0.00 179.01 176.41 2djk h ALA 105 N 1.60 0.82 0.05 2.92 0.00 -1.89 -0.27 119.26 122.50 2djk h ALA 105 Ca 0.66 -0.54 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 2djk h ALA 105 Cb 1.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2djk h ALA 105 CO -0.31 0.72 -1.48 0.82 0.00 0.00 0.00 179.25 179.00 2djk h ILE 106 N 0.22 0.85 -0.55 0.00 1.08 -0.43 -2.00 117.51 116.67 2djk h ILE 106 Ca -0.00 -2.25 0.03 0.00 -0.39 0.00 0.00 64.86 62.24 2djk h ILE 106 Cb 1.11 2.37 -0.04 0.00 -3.07 0.00 0.00 36.82 37.18 2djk h ILE 106 CO 0.10 0.53 0.33 0.07 -0.69 0.00 0.00 178.15 178.48 2djk h LYS 107 N -0.62 0.62 -0.03 2.37 5.09 0.27 0.25 116.57 124.53 2djk h LYS 107 Ca -0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 60.32 2djk h LYS 107 Cb 1.56 -0.14 -0.00 0.00 0.10 0.00 0.00 32.23 33.75 2djk h LYS 107 CO -0.09 0.41 -0.05 0.00 -2.09 0.00 0.00 179.45 177.63 2djk h ALA 108 N 1.25 0.05 0.05 0.07 0.00 -1.19 -1.71 119.26 117.78 2djk h ALA 108 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2djk h ALA 108 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2djk h ALA 108 CO -0.11 -0.14 -0.15 0.35 0.00 0.00 0.00 179.25 179.21 2djk h PHE 109 N -0.42 -0.43 -1.04 0.00 3.04 -1.07 0.31 116.94 117.33 2djk h PHE 109 Ca 0.00 0.01 0.29 0.00 3.98 0.00 0.00 57.97 62.25 2djk h PHE 109 Cb 0.60 0.18 -0.12 0.00 2.56 0.00 0.00 35.95 39.17 2djk h PHE 109 CO 0.11 -0.17 0.63 -0.39 -2.02 0.00 0.00 178.31 176.47 2djk h VAL 110 N -0.22 0.44 -0.84 1.41 -1.51 -0.61 1.02 116.25 115.93 2djk h VAL 110 Ca -0.00 -0.15 0.05 0.00 -1.23 0.00 0.00 66.70 65.37 2djk h VAL 110 Cb 0.22 -0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.30 2djk h VAL 110 CO -0.07 0.08 0.53 -0.78 -1.23 0.00 0.00 177.57 176.09 2djk h ASP 111 N 0.43 0.85 1.02 4.19 1.82 -0.17 0.28 116.42 124.85 2djk h ASP 111 Ca 0.67 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.32 2djk h ASP 111 Cb 1.52 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.36 2djk h ASP 111 CO -0.46 0.56 0.00 -0.90 -1.61 0.00 0.00 179.24 176.84 2djk n ASP 112 N -4.60 0.32 -0.05 2.28 5.75 0.33 -1.75 116.55 118.83 2djk n ASP 112 Ca 0.11 0.54 -0.01 0.00 -0.01 0.00 0.00 54.79 55.43 2djk n ASP 112 Cb 0.13 -0.62 -0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2djk n ASP 112 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2djk h PHE 113 N 0.00 0.00 -0.79 2.11 3.57 0.15 1.19 116.94 123.17 2djk h PHE 113 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2djk h PHE 113 Cb 0.51 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 2djk h PHE 113 CO 0.00 0.00 0.52 -0.24 -2.23 0.00 0.00 178.31 176.36 2djk h VAL 114 N -0.88 1.07 -0.72 1.41 3.04 -0.67 -1.13 116.25 118.38 2djk h VAL 114 Ca 0.00 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.36 2djk h VAL 114 Cb 0.09 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 29.43 2djk h VAL 114 CO 0.00 0.16 0.35 0.00 -1.01 0.00 0.00 177.57 177.08 2djk h ALA 115 N 1.56 1.28 0.00 3.17 0.00 -1.50 -3.46 119.26 120.31 2djk h ALA 115 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2djk h ALA 115 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2djk h ALA 115 CO -0.11 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2djk n GLY 116 N -1.12 1.81 0.09 0.00 0.00 -0.43 -5.04 105.19 100.50 2djk n GLY 116 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2djk n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2djk n LYS 117 N -0.09 0.79 -3.18 1.61 4.81 0.39 -4.99 118.16 117.50 2djk n LYS 117 Ca 0.00 0.08 -0.32 0.00 -0.87 0.00 0.00 58.31 57.19 2djk n LYS 117 Cb 0.00 -1.38 -0.06 0.00 0.02 0.00 0.00 35.03 33.61 2djk n LYS 117 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2djk s ILE 118 N -2.37 4.72 0.24 3.15 1.01 0.30 -4.94 121.20 123.31 2djk s ILE 118 Ca -0.20 0.87 0.07 0.00 0.00 0.00 0.00 60.65 61.39 2djk s ILE 118 Cb 0.06 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2djk s ILE 118 CO 0.48 -0.17 -0.10 -0.70 0.00 0.00 0.00 174.94 174.46 2djk s GLU 119 N -2.96 1.43 0.12 2.79 2.12 -1.26 -4.85 118.70 116.08 2djk s GLU 119 Ca 0.53 -1.68 -0.31 0.00 0.36 0.00 0.00 54.97 53.87 2djk s GLU 119 Cb -0.10 -1.10 -0.08 0.00 0.26 0.00 0.00 34.13 33.10 2djk s GLU 119 CO 0.18 0.10 1.43 -2.14 -0.54 0.00 0.00 175.26 174.29 2djk s PRO 120 N -3.70 4.30 0.23 4.30 0.02 -1.26 -4.89 135.00 134.00 2djk s PRO 120 Ca 0.26 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.33 2djk s PRO 120 Cb 0.02 -3.26 0.26 0.00 0.02 0.00 0.00 34.50 31.54 2djk s PRO 120 CO 0.09 -0.48 1.88 1.03 -0.33 0.00 0.00 177.00 179.19 2djk h SER 121 N 6.89 0.91 -0.94 2.53 0.87 -1.95 -3.46 113.55 118.40 2djk h SER 121 Ca -0.42 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2djk h SER 121 Cb 1.21 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2djk h SER 121 CO 0.88 0.63 0.00 2.30 -0.53 0.00 0.00 176.83 180.10 2djk n ILE 122 N -4.55 0.00 -3.78 2.23 -5.35 -1.26 -5.19 119.36 101.46 2djk n ILE 122 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2djk n ILE 122 Cb 0.09 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 2djk n ILE 122 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2djk n LYS 123 N 0.00 0.03 -1.93 6.28 5.02 -1.26 -4.95 118.16 121.35 2djk n LYS 123 Ca 0.00 -0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 56.16 2djk n LYS 123 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 2djk n LYS 123 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2djk n SER 124 N -0.34 -0.53 -3.39 4.39 2.88 -1.26 -5.13 113.62 110.24 2djk n SER 124 Ca 0.00 -1.47 -0.27 0.00 -1.33 0.00 0.00 58.87 55.81 2djk n SER 124 Cb 0.06 0.92 -0.10 0.00 -0.75 0.00 0.00 64.21 64.34 2djk n SER 124 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2djk s GLU 125 N -2.10 0.83 0.17 -1.46 -1.05 -1.26 -5.13 118.70 108.69 2djk s GLU 125 Ca 0.06 -1.89 -0.02 0.00 -0.15 0.00 0.00 54.97 52.96 2djk s GLU 125 Cb -0.01 -1.33 0.04 0.00 -0.44 0.00 0.00 34.13 32.39 2djk s GLU 125 CO 0.04 -1.35 0.23 -0.35 0.95 0.00 0.00 175.26 174.78 2djk n PRO 126 N 3.12 -0.06 -3.68 -4.83 -0.04 -1.26 -5.04 135.00 123.21 2djk n PRO 126 Ca 0.26 -0.40 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 2djk n PRO 126 Cb 0.46 -0.22 -0.07 0.00 -0.04 0.00 0.00 33.50 33.63 2djk n PRO 126 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2djk s ILE 127 N -1.24 4.10 1.21 0.52 2.07 -1.26 -5.08 121.20 121.52 2djk s ILE 127 Ca 0.13 -3.86 -0.20 0.00 -1.41 0.00 0.00 60.65 55.31 2djk s ILE 127 Cb -0.00 -3.57 0.30 0.00 0.13 0.00 0.00 42.46 39.32 2djk s ILE 127 CO 0.09 -1.06 1.04 -0.81 -1.91 0.00 0.00 174.94 172.30 2djk n PRO 128 N 2.36 -3.20 -3.13 3.50 -0.04 -1.26 -5.08 135.00 128.16 2djk n PRO 128 Ca 0.20 -1.68 0.01 0.00 -0.04 0.00 0.00 63.50 62.00 2djk n PRO 128 Cb 0.37 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 2djk n PRO 128 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2djk s GLU 129 N -5.38 0.69 0.11 0.54 2.12 -1.26 -5.16 118.70 110.37 2djk s GLU 129 Ca 0.69 -0.20 -0.25 0.00 0.36 0.00 0.00 54.97 55.56 2djk s GLU 129 Cb -0.07 0.09 0.07 0.00 0.26 0.00 0.00 34.13 34.48 2djk s GLU 129 CO 0.53 -1.01 0.79 -1.59 -0.54 0.00 0.00 175.26 173.43 2djk s LYS 130 N 1.90 1.17 0.58 4.30 0.00 -1.26 -5.19 119.74 121.24 2djk s LYS 130 Ca 0.16 -0.52 0.09 0.00 0.00 0.00 0.00 55.97 55.70 2djk s LYS 130 Cb -0.03 0.48 0.08 0.00 0.00 0.00 0.00 37.83 38.36 2djk s LYS 130 CO -0.09 -0.52 0.70 1.14 0.00 0.00 0.00 175.35 176.58 2djk s GLN 131 N -3.45 2.27 0.63 1.78 -2.07 -1.26 -5.03 119.66 112.53 2djk s GLN 131 Ca 0.06 -1.77 0.00 0.00 -1.82 0.00 0.00 55.36 51.83 2djk s GLN 131 Cb -0.02 -2.49 0.00 0.00 -1.09 0.00 0.00 33.01 29.41 2djk s GLN 131 CO -0.06 -0.83 0.00 -0.85 -1.32 0.00 0.00 175.29 172.23 2djk n GLU 132 N -2.14 0.00 -0.87 9.60 0.28 -1.26 -5.30 120.64 120.95 2djk n GLU 132 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2djk n GLU 132 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 2djk n GLU 132 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38