#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djk h PRO 2 N 0.00 -0.66 0.00 1.61 0.11 -2.07 -3.46 132.00 127.53 2djk h PRO 2 Ca 0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2djk h PRO 2 Cb 0.00 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2djk h PRO 2 CO 0.00 -0.44 0.00 1.28 -0.21 0.00 0.00 178.00 178.63 2djk n LEU 3 N -5.01 -1.15 0.00 2.35 4.32 -1.26 -5.09 117.00 111.16 2djk n LEU 3 Ca -0.08 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 2djk n LEU 3 Cb 0.36 1.28 0.00 0.00 -1.62 0.00 0.00 43.42 43.43 2djk n LEU 3 CO 0.15 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 176.59 2djk n GLY 4 N -0.27 0.68 0.10 -0.72 0.00 -1.26 -5.12 105.19 98.60 2djk n GLY 4 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2djk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djk n SER 5 N 0.00 -0.17 -4.58 1.61 7.64 -1.26 -4.97 113.62 111.89 2djk n SER 5 Ca 0.00 0.45 -0.41 0.00 1.01 0.00 0.00 58.87 59.92 2djk n SER 5 Cb 0.00 0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 2djk n SER 5 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2djk s PRO 6 N -1.87 3.12 -0.10 1.43 0.04 -1.26 -4.88 135.00 131.48 2djk s PRO 6 Ca 0.00 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 2djk s PRO 6 Cb 0.00 -4.22 -0.00 0.00 0.04 0.00 0.00 34.50 30.32 2djk s PRO 6 CO 0.00 -2.14 0.03 -0.07 0.04 0.00 0.00 177.00 174.86 2djk h LEU 7 N 14.25 -0.02 -9.17 -3.56 3.38 -1.99 -3.45 115.31 114.75 2djk h LEU 7 Ca -0.28 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.08 2djk h LEU 7 Cb 1.14 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 2djk h LEU 7 CO 1.14 0.47 -0.29 -0.63 0.09 0.00 0.00 178.44 179.22 2djk s ILE 8 N -1.63 5.26 0.00 1.22 1.01 -1.26 -4.26 121.20 121.53 2djk s ILE 8 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2djk s ILE 8 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2djk s ILE 8 CO 0.01 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2djk n GLY 9 N 3.87 0.17 3.31 6.18 0.00 -0.89 -5.02 105.19 112.81 2djk n GLY 9 Ca -0.11 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 2djk n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2djk s GLU 10 N 3.37 3.15 0.15 1.61 2.02 -1.26 -1.75 118.70 125.99 2djk s GLU 10 Ca 0.00 -0.78 -0.22 0.00 0.02 0.00 0.00 54.97 53.99 2djk s GLU 10 Cb 0.00 -2.45 -0.08 0.00 0.10 0.00 0.00 34.13 31.70 2djk s GLU 10 CO 0.00 0.23 0.70 0.42 0.02 0.00 0.00 175.26 176.63 2djk s ILE 11 N 0.26 4.52 0.30 -1.63 1.01 -0.76 -4.85 121.20 120.05 2djk s ILE 11 Ca -0.13 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.04 2djk s ILE 11 Cb -0.16 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2djk s ILE 11 CO 0.07 0.46 0.20 0.61 0.00 0.00 0.00 174.94 176.28 2djk n GLY 12 N 1.43 3.19 0.00 6.18 0.00 -1.26 -4.84 105.19 109.89 2djk n GLY 12 Ca -0.06 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.61 0.25 -1.09 1.61 -0.04 -1.26 -3.02 135.00 130.83 2djk n PRO 13 Ca 0.03 0.10 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 2djk n PRO 13 Cb 0.51 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 2djk n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2djk n GLU 14 N -1.32 0.50 0.00 0.54 1.02 -1.26 -4.81 120.64 115.31 2djk n GLU 14 Ca 0.09 -2.29 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 2djk n GLU 14 Cb 0.17 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 2djk n GLU 14 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2djk n THR 15 N -0.08 0.00 -0.16 2.62 -2.24 -1.17 -4.73 114.28 108.52 2djk n THR 15 Ca 0.09 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.09 2djk n THR 15 Cb 0.96 -0.42 0.61 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.26 -0.36 4.78 -0.00 -1.87 0.14 116.97 119.92 2djk h TYR 16 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 58.73 58.84 2djk h TYR 16 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 37.40 2djk h TYR 16 CO 0.00 0.08 0.38 0.77 -0.00 0.00 0.00 178.16 179.39 2djk h SER 17 N 0.20 0.00 0.26 0.10 0.02 -1.89 0.46 113.55 112.70 2djk h SER 17 Ca 0.40 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.01 2djk h SER 17 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2djk h SER 17 CO -0.08 0.00 -1.72 0.44 -1.14 0.00 0.00 176.83 174.33 2djk h ASP 18 N 0.00 0.52 0.57 3.07 5.19 -1.06 -2.39 116.42 122.32 2djk h ASP 18 Ca 0.17 -0.81 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2djk h ASP 18 Cb 0.93 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2djk h ASP 18 CO -0.00 1.68 0.00 -1.22 -3.12 0.00 0.00 179.24 176.58 2djk n TYR 19 N -3.53 0.00 -0.11 4.55 4.01 -0.04 -1.62 117.16 120.43 2djk n TYR 19 Ca -0.23 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.32 2djk n TYR 19 Cb 1.06 -0.31 -0.07 0.00 -0.31 0.00 0.00 39.34 39.71 2djk n TYR 19 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2djk n MET 20 N -1.31 0.55 0.21 -0.72 1.56 0.14 -4.33 117.12 113.22 2djk n MET 20 Ca 0.12 0.35 0.15 0.00 -0.27 0.00 0.00 57.70 58.05 2djk n MET 20 Cb 0.23 -1.55 0.65 0.00 2.15 0.00 0.00 33.22 34.70 2djk n MET 20 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 2djk h SER 21 N -1.00 0.00 -0.61 6.12 0.02 -1.48 -2.90 113.55 113.70 2djk h SER 21 Ca -0.33 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.77 2djk h SER 21 Cb 1.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 2djk h SER 21 CO -0.20 0.00 0.42 0.00 -1.14 0.00 0.00 176.83 175.92 2djk h ALA 22 N 2.11 2.32 0.00 3.77 0.00 -1.50 -3.45 119.26 122.52 2djk h ALA 22 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2djk h ALA 22 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2djk h ALA 22 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.17 2djk n GLY 23 N -1.59 0.76 3.45 0.00 0.00 -1.09 -5.07 105.19 101.65 2djk n GLY 23 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.31 2.46 0.44 -0.61 -4.36 -1.26 -4.72 121.20 110.84 2djk s ILE 24 Ca 0.00 -2.15 -0.25 0.00 -0.26 0.00 0.00 60.65 57.99 2djk s ILE 24 Cb 0.00 -2.22 -0.09 0.00 1.25 0.00 0.00 42.46 41.40 2djk s ILE 24 CO 0.00 -0.22 1.33 -0.81 0.24 0.00 0.00 174.94 175.48 2djk n PRO 25 N -0.09 2.04 -4.09 0.37 -0.04 -1.21 -4.30 135.00 127.69 2djk n PRO 25 Ca -0.10 0.73 -0.36 0.00 -0.04 0.00 0.00 63.50 63.73 2djk n PRO 25 Cb 0.57 -2.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.47 2djk n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2djk s LEU 26 N -2.10 3.97 -0.51 1.53 0.20 0.49 -0.07 118.68 122.20 2djk s LEU 26 Ca 0.61 0.26 -0.06 0.00 0.69 0.00 0.00 54.13 55.64 2djk s LEU 26 Cb -0.48 -1.95 0.13 0.00 -0.43 0.00 0.00 46.19 43.45 2djk s LEU 26 CO 0.58 0.34 0.34 0.00 -0.29 0.00 0.00 176.35 177.32 2djk s ALA 27 N -0.65 3.39 -0.11 5.97 0.00 0.11 0.42 121.76 130.91 2djk s ALA 27 Ca 0.12 -2.76 -0.24 0.00 0.00 0.00 0.00 51.96 49.08 2djk s ALA 27 Cb -0.12 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2djk s ALA 27 CO 0.02 -1.94 0.74 0.71 0.00 0.00 0.00 175.76 175.30 2djk s TYR 28 N 0.87 3.51 -0.62 0.00 2.02 0.18 -1.77 117.35 121.55 2djk s TYR 28 Ca 0.10 1.23 0.04 0.00 -0.37 0.00 0.00 57.07 58.08 2djk s TYR 28 Cb -0.23 -2.88 0.15 0.00 -0.40 0.00 0.00 41.96 38.61 2djk s TYR 28 CO -0.03 -0.04 0.40 0.42 -1.57 0.00 0.00 175.55 174.73 2djk s ILE 29 N 1.31 2.60 0.39 2.71 1.01 -0.42 0.18 121.20 128.99 2djk s ILE 29 Ca 0.37 -3.81 -0.25 0.00 0.00 0.00 0.00 60.65 56.96 2djk s ILE 29 Cb -0.17 -2.74 -0.09 0.00 0.01 0.00 0.00 42.46 39.47 2djk s ILE 29 CO 0.16 -0.95 1.13 -0.36 0.00 0.00 0.00 174.94 174.93 2djk s PHE 30 N -0.92 3.14 -0.24 3.97 0.40 0.32 -0.32 117.98 124.33 2djk s PHE 30 Ca 0.22 1.59 -0.06 0.00 -0.60 0.00 0.00 56.93 58.08 2djk s PHE 30 Cb -0.12 -3.32 0.12 0.00 0.51 0.00 0.00 43.02 40.21 2djk s PHE 30 CO -0.11 -1.09 0.50 0.00 0.70 0.00 0.00 175.22 175.22 2djk s ALA 31 N -1.47 -1.52 -1.37 5.36 0.00 0.48 -0.06 121.76 123.19 2djk s ALA 31 Ca 0.57 1.69 0.30 0.00 0.00 0.00 0.00 51.96 54.52 2djk s ALA 31 Cb -0.28 -1.60 1.47 0.00 0.00 0.00 0.00 23.12 22.71 2djk s ALA 31 CO 0.36 -0.95 2.03 0.39 0.00 0.00 0.00 175.76 177.59 2djk n GLU 32 N 5.41 0.37 -2.76 0.00 1.02 -1.26 -2.41 120.64 121.00 2djk n GLU 32 Ca -0.08 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.63 2djk n GLU 32 Cb 0.50 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.63 4.25 -0.87 2.62 -4.23 -1.26 -4.82 115.64 108.69 2djk s THR 33 Ca 0.26 0.36 0.15 0.00 -1.18 0.00 0.00 61.69 61.28 2djk s THR 33 Cb 0.20 -4.62 0.67 0.00 1.34 0.00 0.00 72.50 70.09 2djk s THR 33 CO 0.47 -1.25 1.56 0.00 -0.54 0.00 0.00 174.62 174.86 2djk n ALA 34 N 7.83 3.30 0.00 3.99 0.00 -1.26 -2.82 120.51 131.55 2djk n ALA 34 Ca 0.03 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.96 2djk n ALA 34 Cb 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2djk n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2djk n GLU 35 N 0.82 0.00 0.00 0.00 1.02 -1.26 -4.78 120.64 116.44 2djk n GLU 35 Ca 0.24 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.48 2djk n GLU 35 Cb 0.91 -0.81 -0.08 0.00 -0.02 0.00 0.00 31.44 31.44 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2djk n GLU 36 N -2.44 0.27 -0.18 3.49 0.28 -1.26 -4.58 120.64 116.21 2djk n GLU 36 Ca 0.00 -0.22 0.17 0.00 -0.16 0.00 0.00 57.16 56.95 2djk n GLU 36 Cb 0.41 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 32.11 2djk n GLU 36 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2djk n ARG 37 N -1.18 -0.03 -0.02 3.44 1.85 -1.13 0.14 116.66 119.74 2djk n ARG 37 Ca 0.05 0.79 -0.09 0.00 -1.00 0.00 0.00 57.85 57.60 2djk n ARG 37 Cb 0.36 -1.40 -0.03 0.00 -1.05 0.00 0.00 32.46 30.35 2djk n ARG 37 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2djk h LYS 38 N 0.00 -0.14 -0.67 2.89 1.57 -1.88 -0.34 116.57 117.99 2djk h LYS 38 Ca 0.47 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2djk h LYS 38 Cb 1.23 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 2djk h LYS 38 CO -0.44 -0.10 0.44 0.93 -0.57 0.00 0.00 179.45 179.71 2djk h GLU 39 N -0.15 0.89 0.05 3.15 5.08 0.93 -1.18 114.58 123.35 2djk h GLU 39 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2djk h GLU 39 Cb 0.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2djk h GLU 39 CO -0.25 0.60 -0.02 1.25 -1.00 0.00 0.00 179.01 179.58 2djk h LEU 40 N 0.92 -0.06 -2.04 1.33 7.12 -1.06 -2.44 115.31 119.08 2djk h LEU 40 Ca 0.25 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 2djk h LEU 40 Cb -0.09 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.05 2djk h LEU 40 CO -0.05 0.13 -0.06 0.28 -0.13 0.00 0.00 178.44 178.60 2djk h SER 41 N -0.24 0.00 0.59 1.25 0.02 -0.78 -2.03 113.55 112.37 2djk h SER 41 Ca -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2djk h SER 41 Cb 0.22 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 2djk h SER 41 CO 0.01 0.06 -0.28 -0.78 -1.14 0.00 0.00 176.83 174.70 2djk h ASP 42 N 0.00 -0.67 -1.00 3.07 1.82 -0.82 0.60 116.42 119.42 2djk h ASP 42 Ca -0.00 0.02 0.28 0.00 -0.39 0.00 0.00 57.03 56.94 2djk h ASP 42 Cb 0.31 0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.44 2djk h ASP 42 CO 0.01 -0.33 0.70 0.11 -1.61 0.00 0.00 179.24 178.11 2djk h LYS 43 N -1.09 0.11 0.00 0.28 6.56 -1.29 1.91 116.57 123.05 2djk h LYS 43 Ca -0.08 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.40 2djk h LYS 43 Cb 0.61 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.23 2djk h LYS 43 CO 0.13 0.07 -0.46 -0.07 -2.06 0.00 0.00 179.45 177.07 2djk h LEU 44 N 0.12 0.00 -0.67 2.94 3.38 -1.05 -3.05 115.31 116.97 2djk h LEU 44 Ca 0.50 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.59 2djk h LEU 44 Cb 1.76 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.41 2djk h LEU 44 CO -0.08 0.46 0.21 0.50 0.09 0.00 0.00 178.44 179.63 2djk h LYS 45 N 0.00 0.34 0.21 1.13 3.64 0.88 -0.75 116.57 122.01 2djk h LYS 45 Ca -0.00 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 2djk h LYS 45 Cb 1.18 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2djk h LYS 45 CO 0.06 0.22 -1.66 -1.00 -2.27 0.00 0.00 179.45 174.80 2djk h PRO 46 N 0.35 0.44 0.00 1.90 0.13 -1.61 -1.20 132.00 132.00 2djk h PRO 46 Ca 0.36 -0.76 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2djk h PRO 46 Cb 0.54 0.28 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2djk h PRO 46 CO -0.41 1.36 0.24 -0.84 -0.23 0.00 0.00 178.00 178.12 2djk h ILE 47 N 0.11 0.00 0.00 -3.56 -0.00 -1.34 -0.35 117.51 112.37 2djk h ILE 47 Ca -0.32 0.00 -0.24 0.00 -0.00 0.00 0.00 64.86 64.31 2djk h ILE 47 Cb 2.12 0.65 -0.04 0.00 -0.00 0.00 0.00 36.82 39.54 2djk h ILE 47 CO 0.21 0.00 -1.89 0.00 -0.00 0.00 0.00 178.15 176.47 2djk n ALA 48 N -1.86 1.68 0.33 0.16 0.00 -0.33 -4.20 120.51 116.30 2djk n ALA 48 Ca -0.02 -0.84 0.22 0.00 0.00 0.00 0.00 53.44 52.80 2djk n ALA 48 Cb 0.28 -0.01 1.16 0.00 0.00 0.00 0.00 19.45 20.88 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 0.20 2.56 114.58 122.15 2djk h GLU 49 Ca -0.35 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.70 2djk h GLU 49 Cb 1.78 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.13 2djk h GLU 49 CO 0.01 0.00 -1.17 0.00 -0.73 0.00 0.00 179.01 177.12 2djk h ALA 50 N 2.00 0.64 -0.55 2.92 0.00 -1.55 -3.34 119.26 119.37 2djk h ALA 50 Ca 0.00 -0.85 -0.40 0.00 0.00 0.00 0.00 54.91 53.66 2djk h ALA 50 Cb 0.04 0.16 -0.37 0.00 0.00 0.00 0.00 17.79 17.62 2djk h ALA 50 CO 0.00 0.99 -0.87 0.00 0.00 0.00 0.00 179.25 179.37 2djk n GLN 51 N -3.06 2.77 0.17 0.00 10.64 0.15 -4.78 117.38 123.27 2djk n GLN 51 Ca -0.06 -3.82 0.05 0.00 -1.83 0.00 0.00 57.00 51.34 2djk n GLN 51 Cb 0.86 -1.94 0.23 0.00 -0.86 0.00 0.00 30.24 28.53 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 2.10 0.00 -0.21 2.61 0.11 0.40 -0.98 114.38 118.41 2djk h ARG 52 Ca 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.25 2djk h ARG 52 Cb 1.43 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.51 2djk h ARG 52 CO 0.50 0.40 -0.00 0.41 0.10 0.00 0.00 179.97 181.38 2djk n GLY 53 N 0.64 4.22 0.00 0.08 0.00 -1.26 -4.61 105.19 104.26 2djk n GLY 53 Ca 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.70 0.00 -5.23 1.61 3.14 -1.19 -5.08 118.33 110.87 2djk n VAL 54 Ca 0.21 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.28 2djk n VAL 54 Cb 0.85 -0.19 -0.16 0.00 -1.06 0.00 0.00 33.84 33.27 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 -1.31 1.96 -0.49 1.55 1.01 -0.38 -3.36 121.20 120.18 2djk s ILE 55 Ca 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 59.33 2djk s ILE 55 Cb 0.00 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.87 2djk s ILE 55 CO 0.00 0.55 1.03 0.20 0.00 0.00 0.00 174.94 176.72 2djk s ASN 56 N -0.47 6.52 -0.24 3.58 0.01 0.90 -4.55 114.94 120.70 2djk s ASN 56 Ca 0.06 0.18 -0.28 0.00 -0.71 0.00 0.00 52.86 52.11 2djk s ASN 56 Cb -0.11 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2djk s ASN 56 CO 0.00 -1.19 1.00 0.12 -1.51 0.00 0.00 177.10 175.52 2djk s PHE 57 N 4.17 3.33 -0.12 2.20 5.36 -1.26 0.10 117.98 131.76 2djk s PHE 57 Ca 0.41 1.40 -0.05 0.00 -0.96 0.00 0.00 56.93 57.73 2djk s PHE 57 Cb -0.09 -3.24 0.06 0.00 -0.34 0.00 0.00 43.02 39.40 2djk s PHE 57 CO 0.27 -0.48 0.24 0.20 -1.46 0.00 0.00 175.22 174.00 2djk s GLY 58 N 1.24 -0.10 0.19 13.12 0.00 -0.73 -2.09 107.32 118.95 2djk s GLY 58 Ca 0.42 0.90 -0.13 0.00 0.00 0.00 0.00 44.72 45.91 2djk s GLY 58 CO 0.07 1.71 0.57 -0.51 0.00 0.00 0.00 173.10 174.94 2djk s THR 59 N 2.06 4.85 0.13 0.90 -4.23 -0.72 -1.30 115.64 117.33 2djk s THR 59 Ca -0.02 0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 2djk s THR 59 Cb -0.12 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2djk s THR 59 CO -0.08 0.13 0.11 -0.51 -0.54 0.00 0.00 174.62 173.72 2djk s ILE 60 N -1.60 0.10 -0.21 2.99 2.07 0.56 -1.84 121.20 123.27 2djk s ILE 60 Ca 0.42 -1.77 -0.20 0.00 -1.41 0.00 0.00 60.65 57.69 2djk s ILE 60 Cb -0.14 -1.95 -0.03 0.00 0.13 0.00 0.00 42.46 40.47 2djk s ILE 60 CO 0.20 -0.46 0.58 -0.62 -1.91 0.00 0.00 174.94 172.73 2djk s ASP 61 N -3.02 6.61 0.00 4.50 2.15 -1.26 -0.39 116.67 125.26 2djk s ASP 61 Ca 0.21 0.74 0.14 0.00 0.43 0.00 0.00 52.55 54.06 2djk s ASP 61 Cb 0.06 -2.32 0.58 0.00 -0.30 0.00 0.00 42.92 40.94 2djk s ASP 61 CO 0.00 -0.26 1.41 0.00 -0.17 0.00 0.00 175.17 176.15 2djk n ALA 62 N 5.11 2.52 -0.07 3.66 0.00 -1.01 -1.08 120.51 129.63 2djk n ALA 62 Ca -0.03 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 52.98 2djk n ALA 62 Cb 0.50 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.04 1.37 -0.03 0.00 3.00 -1.26 -3.94 118.16 117.26 2djk n LYS 63 Ca 0.11 0.02 -0.03 0.00 -0.00 0.00 0.00 58.31 58.42 2djk n LYS 63 Cb 0.20 -1.36 -0.04 0.00 0.00 0.00 0.00 35.03 33.83 2djk n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2djk n ALA 64 N -2.66 1.86 0.64 3.14 0.00 -1.24 -4.65 120.51 117.60 2djk n ALA 64 Ca -0.25 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 52.91 2djk n ALA 64 Cb 0.92 0.15 -0.12 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.27 0.00 -0.43 0.00 -0.00 -0.24 -4.57 117.46 109.94 2djk n PHE 65 Ca -0.10 0.00 0.35 0.00 -0.00 0.00 0.00 57.45 57.70 2djk n PHE 65 Cb 0.68 -0.14 0.57 0.00 -0.00 0.00 0.00 39.48 40.59 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 1.43 -0.69 0.08 7.13 0.00 -0.33 0.26 105.19 113.06 2djk n GLY 66 Ca 0.01 0.57 0.05 0.00 0.00 0.00 0.00 46.02 46.65 2djk n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djk n ALA 67 N -2.60 0.97 0.87 4.61 0.00 -1.26 0.51 120.51 123.61 2djk n ALA 67 Ca 0.33 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.95 2djk n ALA 67 Cb 1.35 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 2djk n ALA 67 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2djk n HIS 68 N -1.82 0.00 0.10 0.00 -0.00 0.74 -4.04 115.22 110.19 2djk n HIS 68 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 2djk n HIS 68 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.96 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 3.09 -0.30 -0.38 -1.41 0.00 -0.00 -3.29 119.26 116.95 2djk h ALA 69 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2djk h ALA 69 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2djk h ALA 69 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2djk n GLY 70 N 0.32 1.09 0.00 0.00 0.00 -1.24 -3.97 105.19 101.40 2djk n GLY 70 Ca -0.08 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.43 2djk n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2djk n ASN 71 N 0.87 0.00 -0.00 1.61 2.04 -1.24 -0.80 115.26 117.74 2djk n ASN 71 Ca 0.17 0.41 0.03 0.00 -0.44 0.00 0.00 54.58 54.75 2djk n ASN 71 Cb 0.43 -0.44 -0.04 0.00 -2.53 0.00 0.00 39.78 37.20 2djk n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2djk n LEU 72 N -1.44 0.15 0.00 -4.53 -0.00 -1.25 -5.02 117.00 104.91 2djk n LEU 72 Ca 0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 2djk n LEU 72 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2djk n LEU 72 CO 0.06 0.04 0.00 0.59 -0.00 0.00 0.00 177.39 178.08 2djk n ASN 73 N -1.42 0.00 -4.01 1.45 5.03 0.02 -4.73 115.26 111.60 2djk n ASN 73 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 2djk n ASN 73 Cb 0.13 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.92 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 0.00 -2.98 -0.18 3.41 7.99 -1.24 -4.83 117.00 119.17 2djk n LEU 74 Ca 0.00 -0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.05 2djk n LEU 74 Cb 0.00 -0.51 -0.02 0.00 -0.11 0.00 0.00 43.42 42.78 2djk n LEU 74 CO 0.00 -2.51 0.15 1.17 -1.51 0.00 0.00 177.39 174.69 2djk n LYS 75 N 2.38 2.44 -3.50 3.23 3.00 -1.26 -4.04 118.16 120.41 2djk n LYS 75 Ca -0.02 -0.46 -0.22 0.00 -0.00 0.00 0.00 58.31 57.62 2djk n LYS 75 Cb 0.75 -1.09 0.07 0.00 0.00 0.00 0.00 35.03 34.77 2djk n LYS 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2djk n THR 76 N -0.53 -2.79 -0.01 3.15 -2.24 -1.26 -4.91 114.28 105.69 2djk n THR 76 Ca 0.04 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2djk n THR 76 Cb 0.22 -3.80 -0.14 0.00 -2.10 0.00 0.00 70.33 64.51 2djk n THR 76 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2djk h ASP 77 N -2.47 0.13 -5.19 3.42 3.04 -1.96 -3.49 116.42 109.91 2djk h ASP 77 Ca -0.52 -0.29 -0.08 0.00 -3.24 0.00 0.00 57.03 52.90 2djk h ASP 77 Cb 1.34 -0.04 -0.12 0.00 -1.04 0.00 0.00 39.33 39.46 2djk h ASP 77 CO 0.51 1.26 -0.24 -0.75 -2.04 0.00 0.00 179.24 177.97 2djk s LYS 78 N -2.59 1.11 0.35 4.15 2.20 -1.26 -5.17 119.74 118.53 2djk s LYS 78 Ca -0.10 -1.01 -0.09 0.00 -0.36 0.00 0.00 55.97 54.41 2djk s LYS 78 Cb 0.08 0.40 0.02 0.00 -1.51 0.00 0.00 37.83 36.82 2djk s LYS 78 CO 0.81 -0.41 0.60 -0.06 -0.36 0.00 0.00 175.35 175.93 2djk s PHE 79 N -3.91 0.59 0.88 4.03 0.40 -1.26 -4.53 117.98 114.18 2djk s PHE 79 Ca 0.11 -1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 55.31 2djk s PHE 79 Cb 0.03 0.32 0.09 0.00 0.51 0.00 0.00 43.02 43.97 2djk s PHE 79 CO -0.05 -1.29 0.95 -2.30 0.70 0.00 0.00 175.22 173.23 2djk n PRO 80 N -0.53 -0.16 -4.60 0.24 -0.02 -1.26 -4.78 135.00 123.88 2djk n PRO 80 Ca -0.03 0.02 -0.26 0.00 -2.02 0.00 0.00 63.50 61.21 2djk n PRO 80 Cb 0.61 -2.24 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 2djk n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2djk s ALA 81 N -2.36 1.41 -0.26 3.55 0.00 0.92 -4.75 121.76 120.27 2djk s ALA 81 Ca 0.67 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 2djk s ALA 81 Cb -0.25 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2djk s ALA 81 CO 0.58 0.08 0.04 0.12 0.00 0.00 0.00 175.76 176.58 2djk s PHE 82 N 0.73 3.08 -0.09 0.00 5.36 -1.26 0.12 117.98 125.92 2djk s PHE 82 Ca -0.13 -0.80 0.04 0.00 -0.96 0.00 0.00 56.93 55.08 2djk s PHE 82 Cb -0.16 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.31 2djk s PHE 82 CO 0.03 -0.50 -0.21 0.00 -1.46 0.00 0.00 175.22 173.08 2djk s ALA 83 N 1.53 2.31 -0.10 11.12 0.00 0.13 0.29 121.76 137.04 2djk s ALA 83 Ca 0.05 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 2djk s ALA 83 Cb -0.16 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2djk s ALA 83 CO 0.01 0.35 0.13 0.42 0.00 0.00 0.00 175.76 176.67 2djk s ILE 84 N 0.06 5.35 -0.07 0.00 -1.09 -1.10 0.50 121.20 124.85 2djk s ILE 84 Ca -0.09 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.47 2djk s ILE 84 Cb -0.15 -3.34 0.01 0.00 -1.58 0.00 0.00 42.46 37.40 2djk s ILE 84 CO 0.06 0.59 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.65 2djk s GLN 85 N -1.10 1.77 -0.34 2.79 0.74 0.17 -1.82 119.66 121.87 2djk s GLN 85 Ca 0.16 -0.43 -0.10 0.00 0.05 0.00 0.00 55.36 55.04 2djk s GLN 85 Cb -0.12 -1.47 0.01 0.00 1.10 0.00 0.00 33.01 32.54 2djk s GLN 85 CO 0.05 0.02 0.17 -1.21 -0.55 0.00 0.00 175.29 173.77 2djk s GLU 86 N 0.69 3.04 0.00 1.67 2.02 -0.82 0.19 118.70 125.49 2djk s GLU 86 Ca -0.14 -0.93 0.30 0.00 0.02 0.00 0.00 54.97 54.23 2djk s GLU 86 Cb -0.16 -3.62 1.79 0.00 0.10 0.00 0.00 34.13 32.24 2djk s GLU 86 CO 0.03 -0.56 2.13 1.33 0.02 0.00 0.00 175.26 178.21 2djk n VAL 87 N 4.97 0.00 -0.12 2.63 0.24 -1.26 0.12 118.33 124.91 2djk n VAL 87 Ca -0.13 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.94 2djk n VAL 87 Cb 0.47 -0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 32.20 2djk n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2djk n ALA 88 N -1.01 1.27 0.41 2.33 0.00 -1.26 -4.62 120.51 117.63 2djk n ALA 88 Ca 0.22 -1.04 0.04 0.00 0.00 0.00 0.00 53.44 52.67 2djk n ALA 88 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 2djk n ALA 88 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2djk n LYS 89 N -3.72 3.10 -1.77 0.00 2.85 -1.23 -4.99 118.16 112.41 2djk n LYS 89 Ca -0.48 -0.30 -0.12 0.00 -1.05 0.00 0.00 58.31 56.37 2djk n LYS 89 Cb 0.94 -0.99 -0.03 0.00 -0.65 0.00 0.00 35.03 34.31 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2djk n ASN 90 N -0.72 -4.07 -4.80 -5.58 2.85 0.33 -5.00 115.26 98.27 2djk n ASN 90 Ca 0.03 0.14 -0.29 0.00 -0.11 0.00 0.00 54.58 54.35 2djk n ASN 90 Cb 0.17 -2.94 0.13 0.00 1.24 0.00 0.00 39.78 38.37 2djk n ASN 90 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2djk s GLN 91 N -3.76 1.29 -0.32 1.20 2.00 -1.18 -4.77 119.66 114.12 2djk s GLN 91 Ca 0.00 0.31 -0.02 0.00 -2.00 0.00 0.00 55.36 53.65 2djk s GLN 91 Cb 0.00 -1.86 0.12 0.00 0.80 0.00 0.00 33.01 32.07 2djk s GLN 91 CO 0.00 -2.10 0.17 0.15 -0.50 0.00 0.00 175.29 173.01 2djk s LYS 92 N -5.29 0.36 -1.01 1.67 3.01 -1.26 -1.94 119.74 115.28 2djk s LYS 92 Ca 0.63 -0.90 -0.03 0.00 -1.01 0.00 0.00 55.97 54.67 2djk s LYS 92 Cb -0.14 -1.23 0.29 0.00 -1.01 0.00 0.00 37.83 35.74 2djk s LYS 92 CO 0.53 -1.11 1.31 1.19 0.51 0.00 0.00 175.35 177.78 2djk n PHE 93 N 4.69 2.82 -1.46 3.18 3.72 -0.76 -4.80 117.46 124.86 2djk n PHE 93 Ca 0.02 -3.00 -0.17 0.00 -0.05 0.00 0.00 57.45 54.25 2djk n PHE 93 Cb 0.40 -1.18 0.12 0.00 -0.94 0.00 0.00 39.48 37.87 2djk n PHE 93 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2djk n PRO 94 N 1.41 -0.86 -4.04 -1.08 -0.04 -1.26 -2.70 135.00 126.42 2djk n PRO 94 Ca 0.26 -1.14 -0.26 0.00 -0.04 0.00 0.00 63.50 62.32 2djk n PRO 94 Cb 0.35 -0.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.99 2djk n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2djk s PHE 95 N -2.59 2.06 0.93 0.54 5.36 0.85 -4.82 117.98 120.31 2djk s PHE 95 Ca 0.42 -0.75 -0.15 0.00 -0.96 0.00 0.00 56.93 55.50 2djk s PHE 95 Cb -0.01 -1.92 0.17 0.00 -0.34 0.00 0.00 43.02 40.92 2djk s PHE 95 CO 0.30 -0.15 1.25 -0.51 -1.46 0.00 0.00 175.22 174.64 2djk s ASP 96 N -4.10 3.38 -0.00 6.13 1.01 -1.26 -4.63 116.67 117.19 2djk s ASP 96 Ca 0.34 0.50 0.06 0.00 0.71 0.00 0.00 52.55 54.16 2djk s ASP 96 Cb -0.00 -0.74 -0.07 0.00 1.01 0.00 0.00 42.92 43.12 2djk s ASP 96 CO 0.20 -2.59 0.22 0.00 0.21 0.00 0.00 175.17 173.21 2djk n GLN 97 N -3.72 4.14 0.00 8.23 6.02 -1.26 -4.61 117.38 126.18 2djk n GLN 97 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2djk n GLN 97 Cb 0.60 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 31.02 2djk n GLN 97 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2djk n GLU 98 N -1.25 0.63 0.00 -1.09 0.28 -1.26 -4.37 120.64 113.58 2djk n GLU 98 Ca 0.01 -0.70 0.14 0.00 -0.16 0.00 0.00 57.16 56.45 2djk n GLU 98 Cb 0.10 -0.78 0.51 0.00 1.43 0.00 0.00 31.44 32.70 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 -0.15 0.56 0.00 3.44 3.00 -1.26 -5.03 118.16 118.72 2djk n LYS 99 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 2djk n LYS 99 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.77 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 -1.02 0.00 -3.62 1.64 2.13 -1.26 -4.95 120.64 113.56 2djk n GLU 100 Ca 0.12 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.55 2djk n GLU 100 Cb 0.31 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.93 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 -1.13 4.11 0.00 6.31 1.09 -1.26 -4.91 121.20 125.41 2djk s ILE 101 Ca 0.00 -2.48 0.00 0.00 -1.10 0.00 0.00 60.65 57.07 2djk s ILE 101 Cb 0.00 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.73 2djk s ILE 101 CO 0.00 -0.86 0.00 0.35 -0.10 0.00 0.00 174.94 174.33 2djk n THR 102 N 4.05 0.00 0.00 2.92 -2.24 -1.26 -4.93 114.28 112.82 2djk n THR 102 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2djk n THR 102 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.00 -0.45 4.78 7.35 -1.26 -3.67 117.46 124.21 2djk n PHE 103 Ca 0.00 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.08 2djk n PHE 103 Cb 0.00 -0.08 0.73 0.00 0.35 0.00 0.00 39.48 40.49 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 0.00 0.05 -0.02 -4.13 4.22 -1.97 1.01 114.58 113.75 2djk h GLU 104 Ca 0.00 -0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.25 2djk h GLU 104 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2djk h GLU 104 CO 0.00 0.03 -0.81 0.00 -2.18 0.00 0.00 179.01 176.06 2djk h ALA 105 N 1.35 0.60 0.05 2.92 0.00 -1.93 -1.25 119.26 120.99 2djk h ALA 105 Ca 0.71 -0.67 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 2djk h ALA 105 Cb 2.66 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 20.34 2djk h ALA 105 CO -0.10 0.86 -1.70 -0.89 0.00 0.00 0.00 179.25 177.42 2djk n ILE 106 N -3.72 1.63 -0.29 0.00 2.08 0.28 -2.10 119.36 117.25 2djk n ILE 106 Ca -0.03 -0.32 -0.04 0.00 0.56 0.00 0.00 62.75 62.91 2djk n ILE 106 Cb 0.76 -1.89 0.07 0.00 -0.75 0.00 0.00 39.64 37.83 2djk n ILE 106 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 2djk h LYS 107 N -0.54 1.04 0.03 0.38 2.10 0.30 0.21 116.57 120.09 2djk h LYS 107 Ca -0.42 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2djk h LYS 107 Cb 1.64 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 2djk h LYS 107 CO -0.11 0.68 -0.02 0.00 -2.00 0.00 0.00 179.45 178.01 2djk h ALA 108 N 1.29 -0.04 0.11 0.07 0.00 -1.37 -1.82 119.26 117.49 2djk h ALA 108 Ca 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2djk h ALA 108 Cb -0.12 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2djk h ALA 108 CO -0.06 -0.24 -0.33 0.35 0.00 0.00 0.00 179.25 178.96 2djk h PHE 109 N -0.60 -0.95 -0.81 0.00 3.04 -1.18 0.36 116.94 116.78 2djk h PHE 109 Ca -0.00 0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.15 2djk h PHE 109 Cb 0.55 0.40 -0.11 0.00 2.56 0.00 0.00 35.95 39.35 2djk h PHE 109 CO 0.11 -0.38 0.29 -0.39 -2.02 0.00 0.00 178.31 175.92 2djk h VAL 110 N -0.50 0.53 -0.96 1.41 -1.51 -0.70 0.81 116.25 115.33 2djk h VAL 110 Ca -0.01 -0.13 0.12 0.00 -1.23 0.00 0.00 66.70 65.45 2djk h VAL 110 Cb 0.49 0.13 -0.08 0.00 -2.13 0.00 0.00 31.29 29.69 2djk h VAL 110 CO -0.16 0.07 0.59 -0.78 -1.23 0.00 0.00 177.57 176.06 2djk h ASP 111 N 0.37 0.85 -0.40 4.19 3.58 -0.39 0.85 116.42 125.46 2djk h ASP 111 Ca 0.48 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.96 2djk h ASP 111 Cb 0.84 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2djk h ASP 111 CO -0.50 0.45 0.21 -0.78 -2.88 0.00 0.00 179.24 175.73 2djk h ASP 112 N 0.92 0.55 0.11 2.28 3.58 0.47 0.41 116.42 124.75 2djk h ASP 112 Ca 0.48 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.88 2djk h ASP 112 Cb 0.49 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2djk h ASP 112 CO -0.27 0.48 -0.05 0.15 -2.88 0.00 0.00 179.24 176.66 2djk h PHE 113 N 0.62 -0.14 -0.62 0.28 3.57 0.22 3.40 116.94 124.28 2djk h PHE 113 Ca 0.16 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.73 2djk h PHE 113 Cb 0.08 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 2djk h PHE 113 CO 0.00 -0.09 0.27 0.28 -2.23 0.00 0.00 178.31 176.55 2djk h VAL 114 N -0.36 0.83 -0.65 1.41 2.07 0.07 -1.41 116.25 118.22 2djk h VAL 114 Ca -0.02 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.40 2djk h VAL 114 Cb 0.12 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 2djk h VAL 114 CO 0.03 0.09 0.43 0.00 0.02 0.00 0.00 177.57 178.14 2djk h ALA 115 N 1.39 1.76 0.00 1.67 0.00 -0.31 -3.45 119.26 120.31 2djk h ALA 115 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2djk h ALA 115 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2djk h ALA 115 CO -0.26 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.53 2djk n GLY 116 N -1.47 1.87 0.26 0.00 0.00 -0.53 -5.06 105.19 100.27 2djk n GLY 116 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.14 0.45 -1.85 1.61 0.00 1.05 -5.00 118.16 114.28 2djk n LYS 117 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 58.31 58.14 2djk n LYS 117 Cb 0.00 -1.28 0.05 0.00 0.00 0.00 0.00 35.03 33.80 2djk n LYS 117 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2djk s ILE 118 N -2.66 2.52 0.12 3.15 1.01 0.34 -4.90 121.20 120.78 2djk s ILE 118 Ca -0.26 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 2djk s ILE 118 Cb 0.06 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2djk s ILE 118 CO 0.37 -0.09 0.10 -1.61 0.00 0.00 0.00 174.94 173.72 2djk s GLU 119 N -3.49 0.92 0.71 2.79 2.02 -1.26 -4.76 118.70 115.62 2djk s GLU 119 Ca 0.77 -1.30 -0.15 0.00 0.02 0.00 0.00 54.97 54.31 2djk s GLU 119 Cb -0.31 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.23 2djk s GLU 119 CO 0.37 -0.27 1.16 -2.14 0.02 0.00 0.00 175.26 174.39 2djk s PRO 120 N -3.99 2.37 0.00 0.39 0.02 -1.26 -4.96 135.00 127.56 2djk s PRO 120 Ca 0.18 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.76 2djk s PRO 120 Cb 0.06 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.70 2djk s PRO 120 CO -0.02 -1.62 0.00 0.43 -0.33 0.00 0.00 177.00 175.47 2djk n SER 121 N -2.70 0.00 -0.09 2.53 7.64 -1.26 -4.95 113.62 114.79 2djk n SER 121 Ca 0.12 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.85 2djk n SER 121 Cb 0.51 -0.32 -0.07 0.00 -1.01 0.00 0.00 64.21 63.32 2djk n SER 121 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2djk n ILE 122 N -2.36 1.00 -2.30 0.44 -5.35 -1.26 -5.08 119.36 104.45 2djk n ILE 122 Ca 0.00 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2djk n ILE 122 Cb 0.00 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 36.53 2djk n ILE 122 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2djk n LYS 123 N -3.34 -0.39 -2.24 6.28 2.85 -1.26 -4.75 118.16 115.30 2djk n LYS 123 Ca -0.33 0.62 -0.43 0.00 -1.05 0.00 0.00 58.31 57.13 2djk n LYS 123 Cb 0.80 -0.64 0.00 0.00 -0.65 0.00 0.00 35.03 34.54 2djk n LYS 123 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2djk n SER 124 N 1.56 4.69 -3.27 -5.58 7.64 -1.26 -4.76 113.62 112.65 2djk n SER 124 Ca 0.00 -2.98 -0.17 0.00 1.01 0.00 0.00 58.87 56.73 2djk n SER 124 Cb 0.25 -1.58 -0.07 0.00 -1.01 0.00 0.00 64.21 61.80 2djk n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2djk s GLU 125 N 1.87 0.77 0.50 1.43 2.02 -1.26 -5.15 118.70 118.89 2djk s GLU 125 Ca 0.44 -1.17 -0.18 0.00 0.02 0.00 0.00 54.97 54.09 2djk s GLU 125 Cb 0.09 -0.75 -0.08 0.00 0.10 0.00 0.00 34.13 33.48 2djk s GLU 125 CO -0.02 -1.26 0.98 -1.25 0.02 0.00 0.00 175.26 173.73 2djk s PRO 126 N 1.04 3.98 -0.66 0.39 0.04 -1.26 -5.04 135.00 133.48 2djk s PRO 126 Ca 0.23 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.32 2djk s PRO 126 Cb -0.09 -2.14 0.16 0.00 0.04 0.00 0.00 34.50 32.48 2djk s PRO 126 CO -0.07 -0.25 0.44 0.96 0.04 0.00 0.00 177.00 178.13 2djk s ILE 127 N -2.50 2.93 0.00 0.56 -4.36 -1.26 -5.10 121.20 111.47 2djk s ILE 127 Ca 0.60 -3.94 0.00 0.00 -0.26 0.00 0.00 60.65 57.05 2djk s ILE 127 Cb -0.10 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.67 2djk s ILE 127 CO 0.27 -0.95 0.00 -0.81 0.24 0.00 0.00 174.94 173.70 2djk n PRO 128 N 2.36 -0.92 -3.03 0.37 -0.04 -1.26 -4.63 135.00 127.85 2djk n PRO 128 Ca 0.15 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2djk n PRO 128 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 2djk n PRO 128 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2djk n GLU 129 N -1.45 -1.30 -1.27 0.54 2.13 -1.26 -4.93 120.64 113.09 2djk n GLU 129 Ca 0.00 1.48 -0.35 0.00 0.66 0.00 0.00 57.16 58.94 2djk n GLU 129 Cb 0.00 -5.69 0.09 0.00 0.27 0.00 0.00 31.44 26.12 2djk n GLU 129 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2djk n LYS 130 N -1.77 0.39 -3.85 5.31 4.01 -1.26 -5.01 118.16 115.98 2djk n LYS 130 Ca -0.00 0.19 -0.00 0.00 -0.51 0.00 0.00 58.31 57.99 2djk n LYS 130 Cb 0.50 -2.20 0.01 0.00 -0.51 0.00 0.00 35.03 32.83 2djk n LYS 130 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2djk s GLN 131 N -3.43 0.81 -0.14 1.97 -0.44 -1.26 -5.08 119.66 112.09 2djk s GLN 131 Ca 0.72 -0.50 -0.03 0.00 -2.50 0.00 0.00 55.36 53.04 2djk s GLN 131 Cb -0.33 0.24 -0.07 0.00 -1.64 0.00 0.00 33.01 31.21 2djk s GLN 131 CO 0.52 -0.38 -0.16 0.39 0.50 0.00 0.00 175.29 176.17 2djk n GLU 132 N -0.70 0.32 0.00 1.67 -0.58 -1.26 -5.28 120.64 114.81 2djk n GLU 132 Ca -0.02 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2djk n GLU 132 Cb 0.60 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 2djk n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06