#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 -2.08 -1.47 1.61 -0.04 -1.26 -4.92 135.00 126.83 2djk n PRO 2 Ca 0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 2djk n PRO 2 Cb 0.00 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2djk n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2djk n LEU 3 N 0.00 -1.65 -4.30 1.53 4.77 -1.26 -5.05 117.00 111.04 2djk n LEU 3 Ca 0.08 2.70 -0.16 0.00 -0.03 0.00 0.00 56.01 58.60 2djk n LEU 3 Cb 0.30 -2.85 -0.10 0.00 -2.33 0.00 0.00 43.42 38.43 2djk n LEU 3 CO 0.20 -0.60 -0.26 -0.83 -1.33 0.00 0.00 177.39 174.57 2djk s GLY 4 N -4.97 1.64 0.00 -0.72 0.00 -1.26 -4.99 107.32 97.02 2djk s GLY 4 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.90 2djk s GLY 4 CO 0.00 -1.57 0.00 -1.26 0.00 0.00 0.00 173.10 170.27 2djk n SER 5 N -0.42 0.00 -0.10 1.64 2.88 -1.23 -4.26 113.62 112.13 2djk n SER 5 Ca -0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2djk n SER 5 Cb 0.66 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.11 2djk n SER 5 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2djk h PRO 6 N 0.00 0.45 0.00 -1.46 0.13 -1.98 -3.43 132.00 125.71 2djk h PRO 6 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2djk h PRO 6 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 2djk h PRO 6 CO 0.00 0.33 0.00 1.47 -0.23 0.00 0.00 178.00 179.57 2djk n LEU 7 N -4.83 0.00 -4.39 1.56 -0.00 -1.26 -5.09 117.00 103.00 2djk n LEU 7 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.70 2djk n LEU 7 Cb 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.32 2djk n LEU 7 CO 0.35 0.00 -0.54 -0.63 -0.00 0.00 0.00 177.39 176.56 2djk s ILE 8 N 0.00 2.37 -1.87 1.47 1.09 -1.26 -4.16 121.20 118.84 2djk s ILE 8 Ca 0.00 -1.34 0.00 0.00 -1.10 0.00 0.00 60.65 58.21 2djk s ILE 8 Cb 0.00 -1.96 0.00 0.00 -1.06 0.00 0.00 42.46 39.44 2djk s ILE 8 CO 0.00 0.34 0.00 0.61 -0.10 0.00 0.00 174.94 175.79 2djk n GLY 9 N 1.66 -0.62 3.76 6.18 0.00 -0.85 -3.57 105.19 111.74 2djk n GLY 9 Ca -0.17 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.43 4.23 0.25 1.61 2.02 -1.26 -0.15 118.70 123.98 2djk s GLU 10 Ca 0.00 0.46 -0.16 0.00 0.02 0.00 0.00 54.97 55.30 2djk s GLU 10 Cb 0.00 -3.37 -0.08 0.00 0.10 0.00 0.00 34.13 30.78 2djk s GLU 10 CO 0.00 0.32 0.68 0.42 0.02 0.00 0.00 175.26 176.70 2djk s ILE 11 N 0.07 4.70 0.34 -1.63 1.01 -0.53 -4.78 121.20 120.38 2djk s ILE 11 Ca 0.26 0.98 0.05 0.00 0.00 0.00 0.00 60.65 61.94 2djk s ILE 11 Cb -0.16 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2djk s ILE 11 CO 0.12 0.03 0.21 -0.83 0.00 0.00 0.00 174.94 174.46 2djk s GLY 12 N -1.99 2.34 0.00 6.18 0.00 -1.26 -4.90 107.32 107.69 2djk s GLY 12 Ca 0.47 -1.75 0.17 0.00 0.00 0.00 0.00 44.72 43.61 2djk s GLY 12 CO 0.19 -1.59 1.53 -1.55 0.00 0.00 0.00 173.10 171.69 2djk n PRO 13 N -0.69 0.09 -0.74 2.90 -0.04 -1.26 -2.70 135.00 132.56 2djk n PRO 13 Ca 0.02 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.72 2djk n PRO 13 Cb 0.64 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.43 1.03 0.00 0.54 -0.58 -1.26 -4.74 120.64 114.20 2djk n GLU 14 Ca 0.06 -2.71 0.00 0.00 -0.42 0.00 0.00 57.16 54.09 2djk n GLU 14 Cb 0.18 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 2djk n GLU 14 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2djk n THR 15 N -0.68 0.00 -0.11 2.62 -2.24 -1.10 -4.74 114.28 108.04 2djk n THR 15 Ca 0.14 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.12 2djk n THR 15 Cb 0.80 -0.38 0.62 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.21 -0.39 4.78 -0.00 -1.84 0.12 116.97 119.84 2djk h TYR 16 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 58.73 58.85 2djk h TYR 16 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.37 2djk h TYR 16 CO 0.00 0.07 0.37 1.03 -0.00 0.00 0.00 178.16 179.63 2djk h SER 17 N 0.17 0.00 0.36 0.10 0.87 -1.88 0.49 113.55 113.66 2djk h SER 17 Ca 0.34 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.58 2djk h SER 17 Cb 1.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2djk h SER 17 CO -0.06 0.00 -1.62 0.44 -0.53 0.00 0.00 176.83 175.07 2djk h ASP 18 N 0.00 0.46 0.74 6.23 3.32 -1.10 -0.85 116.42 125.22 2djk h ASP 18 Ca 0.19 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2djk h ASP 18 Cb 0.92 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2djk h ASP 18 CO -0.00 1.56 0.00 -1.22 -1.72 0.00 0.00 179.24 177.86 2djk n TYR 19 N -3.49 0.00 -0.07 4.55 4.01 0.01 -0.61 117.16 121.55 2djk n TYR 19 Ca -0.19 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.47 2djk n TYR 19 Cb 1.06 -0.39 -0.12 0.00 -0.31 0.00 0.00 39.34 39.57 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 -1.39 1.44 0.00 -0.72 1.56 0.15 -4.42 117.12 113.74 2djk n MET 20 Ca 0.10 -0.01 0.12 0.00 -0.27 0.00 0.00 57.70 57.64 2djk n MET 20 Cb 0.27 -1.40 0.10 0.00 2.15 0.00 0.00 33.22 34.35 2djk n MET 20 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2djk n SER 21 N -2.56 2.32 0.12 6.12 2.88 -0.33 -4.45 113.62 117.73 2djk n SER 21 Ca -0.25 -1.67 -0.09 0.00 -1.33 0.00 0.00 58.87 55.53 2djk n SER 21 Cb 0.99 0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 64.62 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 4.24 -0.39 0.00 -1.46 0.00 -1.07 -3.49 119.26 117.09 2djk h ALA 22 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2djk h ALA 22 Cb 0.82 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2djk h ALA 22 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2djk n GLY 23 N 0.49 1.96 3.22 0.00 0.00 -1.26 -5.11 105.19 104.49 2djk n GLY 23 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.76 0.33 -0.61 -4.36 -1.26 -4.68 121.20 109.42 2djk s ILE 24 Ca 0.00 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 2djk s ILE 24 Cb 0.00 -1.96 -0.11 0.00 1.25 0.00 0.00 42.46 41.64 2djk s ILE 24 CO 0.00 -0.63 1.51 -2.84 0.24 0.00 0.00 174.94 173.23 2djk s PRO 25 N -3.87 4.14 -0.20 0.37 0.02 -1.25 -3.65 135.00 130.57 2djk s PRO 25 Ca 0.19 2.53 -0.14 0.00 0.02 0.00 0.00 61.00 63.61 2djk s PRO 25 Cb 0.05 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 2djk s PRO 25 CO 0.01 -0.54 0.29 -1.17 -0.33 0.00 0.00 177.00 175.26 2djk s LEU 26 N -1.27 4.17 -0.80 -5.54 0.20 0.44 0.28 118.68 116.15 2djk s LEU 26 Ca 0.57 0.38 -0.14 0.00 0.69 0.00 0.00 54.13 55.64 2djk s LEU 26 Cb -0.46 -2.34 0.21 0.00 -0.43 0.00 0.00 46.19 43.16 2djk s LEU 26 CO 0.54 0.01 0.73 0.00 -0.29 0.00 0.00 176.35 177.35 2djk s ALA 27 N 1.01 4.03 -0.13 5.97 0.00 0.14 0.37 121.76 133.15 2djk s ALA 27 Ca 0.15 -3.27 -0.28 0.00 0.00 0.00 0.00 51.96 48.56 2djk s ALA 27 Cb -0.14 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 2djk s ALA 27 CO 0.06 -2.25 0.93 0.71 0.00 0.00 0.00 175.76 175.20 2djk s TYR 28 N 0.25 3.48 -0.67 0.00 2.02 0.15 -0.21 117.35 122.36 2djk s TYR 28 Ca 0.17 1.46 0.03 0.00 -0.37 0.00 0.00 57.07 58.35 2djk s TYR 28 Cb -0.12 -3.11 0.16 0.00 -0.40 0.00 0.00 41.96 38.50 2djk s TYR 28 CO -0.08 -0.22 0.46 0.42 -1.57 0.00 0.00 175.55 174.57 2djk s ILE 29 N 2.02 3.09 0.58 2.71 1.01 0.38 0.07 121.20 131.07 2djk s ILE 29 Ca 0.44 -3.84 -0.18 0.00 0.00 0.00 0.00 60.65 57.07 2djk s ILE 29 Cb -0.18 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2djk s ILE 29 CO 0.16 -0.95 1.12 -0.36 0.00 0.00 0.00 174.94 174.91 2djk s PHE 30 N -1.00 2.68 -0.30 3.97 0.40 0.23 -0.12 117.98 123.84 2djk s PHE 30 Ca 0.22 1.55 -0.13 0.00 -0.60 0.00 0.00 56.93 57.97 2djk s PHE 30 Cb -0.12 -3.23 0.15 0.00 0.51 0.00 0.00 43.02 40.33 2djk s PHE 30 CO -0.10 -1.57 0.87 0.00 0.70 0.00 0.00 175.22 175.12 2djk s ALA 31 N -1.99 -2.49 -0.94 5.36 0.00 0.73 -0.93 121.76 121.50 2djk s ALA 31 Ca 0.70 2.14 0.22 0.00 0.00 0.00 0.00 51.96 55.02 2djk s ALA 31 Cb -0.22 -1.97 0.90 0.00 0.00 0.00 0.00 23.12 21.83 2djk s ALA 31 CO 0.32 -0.95 1.68 0.39 0.00 0.00 0.00 175.76 177.20 2djk n GLU 32 N 5.15 0.03 -2.54 0.00 1.02 -1.26 -2.33 120.64 120.71 2djk n GLU 32 Ca -0.10 0.16 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 2djk n GLU 32 Cb 0.51 -1.55 -0.02 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 -3.03 4.14 -2.32 2.62 -4.23 -1.26 -4.78 115.64 106.78 2djk s THR 33 Ca 0.10 1.17 0.20 0.00 -1.18 0.00 0.00 61.69 61.98 2djk s THR 33 Cb 0.13 -4.49 0.24 0.00 1.34 0.00 0.00 72.50 69.72 2djk s THR 33 CO 0.40 -0.92 1.20 0.00 -0.54 0.00 0.00 174.62 174.76 2djk n ALA 34 N 8.04 2.43 -0.02 3.99 0.00 -1.26 -3.65 120.51 130.05 2djk n ALA 34 Ca 0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 53.44 52.76 2djk n ALA 34 Cb 0.49 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 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 1.17 1.61 -0.59 0.00 -0.58 -1.26 -4.68 120.64 116.30 2djk n GLU 35 Ca 0.14 0.01 0.08 0.00 -0.42 0.00 0.00 57.16 56.97 2djk n GLU 35 Cb 0.51 -1.08 0.30 0.00 -0.57 0.00 0.00 31.44 30.60 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2djk n GLU 36 N -2.40 3.47 0.04 3.49 0.28 -1.26 -4.58 120.64 119.68 2djk n GLU 36 Ca -0.06 -2.95 0.04 0.00 -0.16 0.00 0.00 57.16 54.03 2djk n GLU 36 Cb 0.59 -1.97 0.43 0.00 1.43 0.00 0.00 31.44 31.92 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 2.41 0.44 -0.94 3.44 0.11 -1.83 -2.06 114.38 115.95 2djk h ARG 37 Ca 0.01 -0.04 0.09 0.00 0.10 0.00 0.00 59.98 60.14 2djk h ARG 37 Cb 1.62 -0.09 -0.08 0.00 1.11 0.00 0.00 29.97 32.53 2djk h ARG 37 CO 0.31 0.34 0.58 0.87 0.10 0.00 0.00 179.97 182.17 2djk h LYS 38 N 0.45 0.96 -0.31 0.08 1.57 -1.91 0.90 116.57 118.30 2djk h LYS 38 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2djk h LYS 38 Cb 0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2djk h LYS 38 CO -0.02 0.63 -0.02 0.93 -0.57 0.00 0.00 179.45 180.41 2djk h GLU 39 N 0.98 0.57 0.70 3.15 3.07 -1.73 -0.71 114.58 120.61 2djk h GLU 39 Ca 0.44 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 2djk h GLU 39 Cb 0.35 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2djk h GLU 39 CO -0.23 0.71 -0.33 1.25 -1.40 0.00 0.00 179.01 179.01 2djk h LEU 40 N 0.36 -0.79 -2.13 1.33 7.12 -1.20 -2.43 115.31 117.56 2djk h LEU 40 Ca 0.09 0.03 0.08 0.00 0.13 0.00 0.00 57.88 58.20 2djk h LEU 40 Cb 0.47 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.80 2djk h LEU 40 CO 0.02 -0.53 0.27 0.28 -0.13 0.00 0.00 178.44 178.35 2djk h SER 41 N -1.02 0.00 0.77 1.25 0.02 -0.93 -1.98 113.55 111.67 2djk h SER 41 Ca -0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2djk h SER 41 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2djk h SER 41 CO 0.16 0.00 -0.37 -0.78 -1.14 0.00 0.00 176.83 174.70 2djk h ASP 42 N 0.00 -0.87 -1.01 3.07 1.82 -0.90 0.68 116.42 119.20 2djk h ASP 42 Ca 0.13 0.02 0.28 0.00 -0.39 0.00 0.00 57.03 57.07 2djk h ASP 42 Cb 0.66 0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.85 2djk h ASP 42 CO -0.00 -0.53 0.71 0.11 -1.61 0.00 0.00 179.24 177.92 2djk h LYS 43 N -1.21 0.09 0.00 0.28 6.56 -0.89 2.25 116.57 123.65 2djk h LYS 43 Ca -0.11 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2djk h LYS 43 Cb 0.81 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2djk h LYS 43 CO 0.17 0.06 -0.13 -0.07 -2.06 0.00 0.00 179.45 177.42 2djk h LEU 44 N 0.09 0.00 -0.81 2.94 3.38 -0.79 -3.06 115.31 117.06 2djk h LEU 44 Ca 0.50 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.56 2djk h LEU 44 Cb 1.81 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.48 2djk h LEU 44 CO -0.06 0.01 0.44 0.50 0.09 0.00 0.00 178.44 179.41 2djk h LYS 45 N 0.00 0.68 0.18 1.13 1.63 0.99 -0.35 116.57 120.83 2djk h LYS 45 Ca 0.00 -0.04 -0.34 0.00 -0.85 0.00 0.00 60.65 59.42 2djk h LYS 45 Cb 0.89 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2djk h LYS 45 CO 0.00 0.45 -1.67 -1.00 -3.45 0.00 0.00 179.45 173.77 2djk h PRO 46 N 0.70 0.39 -0.08 1.90 0.13 -1.62 -0.81 132.00 132.60 2djk h PRO 46 Ca 0.41 -0.67 0.02 0.00 -0.87 0.00 0.00 66.00 64.90 2djk h PRO 46 Cb 0.46 0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2djk h PRO 46 CO -0.29 1.30 0.48 0.82 -0.23 0.00 0.00 178.00 180.08 2djk h ILE 47 N 0.11 0.05 0.00 -3.56 2.04 -1.28 0.11 117.51 114.98 2djk h ILE 47 Ca -0.31 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2djk h ILE 47 Cb 2.10 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2djk h ILE 47 CO 0.19 0.00 -1.39 0.00 0.00 0.00 0.00 178.15 176.95 2djk n ALA 48 N -1.90 2.07 0.34 1.87 0.00 -0.21 -4.21 120.51 118.47 2djk n ALA 48 Ca 0.00 -0.29 0.22 0.00 0.00 0.00 0.00 53.44 53.37 2djk n ALA 48 Cb 0.54 -0.08 1.19 0.00 0.00 0.00 0.00 19.45 21.10 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 0.73 2.84 114.58 122.96 2djk h GLU 49 Ca -0.08 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.92 2djk h GLU 49 Cb 0.83 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 2djk h GLU 49 CO 0.00 0.00 -1.72 0.00 -0.73 0.00 0.00 179.01 176.57 2djk n ALA 50 N -2.10 1.82 -2.48 2.92 0.00 -0.83 -4.32 120.51 115.52 2djk n ALA 50 Ca -0.03 -0.75 -0.18 0.00 0.00 0.00 0.00 53.44 52.48 2djk n ALA 50 Cb 0.07 -0.77 0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.85 2.67 0.06 0.00 10.64 0.90 -4.81 117.38 123.99 2djk n GLN 51 Ca -0.15 -3.99 -0.08 0.00 -1.83 0.00 0.00 57.00 50.95 2djk n GLN 51 Cb 0.93 -1.92 -0.12 0.00 -0.86 0.00 0.00 30.24 28.27 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 2.60 0.02 -0.39 2.61 0.11 0.47 -2.53 114.38 117.27 2djk h ARG 52 Ca 0.16 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2djk h ARG 52 Cb 1.17 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2djk h ARG 52 CO 0.65 1.02 0.00 0.41 0.10 0.00 0.00 179.97 182.15 2djk n GLY 53 N 1.36 2.96 0.00 0.08 0.00 -1.26 -4.54 105.19 103.79 2djk n GLY 53 Ca -0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.49 0.01 -4.60 1.61 3.14 -1.24 -5.06 118.33 112.68 2djk n VAL 54 Ca 0.15 -0.01 -0.26 0.00 -2.96 0.00 0.00 64.34 61.26 2djk n VAL 54 Cb 0.55 -0.71 -0.14 0.00 -1.06 0.00 0.00 33.84 32.49 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 -2.00 1.82 -1.08 1.55 1.01 -0.95 -3.82 121.20 117.72 2djk s ILE 55 Ca -0.00 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.12 2djk s ILE 55 Cb 0.00 -1.59 0.13 0.00 0.01 0.00 0.00 42.46 41.01 2djk s ILE 55 CO 0.01 0.17 1.35 0.20 0.00 0.00 0.00 174.94 176.67 2djk s ASN 56 N -1.40 6.79 -0.37 3.58 0.01 0.14 -4.58 114.94 119.11 2djk s ASN 56 Ca 0.09 -2.34 -0.29 0.00 -0.71 0.00 0.00 52.86 49.61 2djk s ASN 56 Cb -0.09 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 2djk s ASN 56 CO 0.03 -1.03 1.54 -0.36 -1.51 0.00 0.00 177.10 175.77 2djk s PHE 57 N 2.80 2.20 -0.03 2.20 0.40 -1.26 0.26 117.98 124.55 2djk s PHE 57 Ca 0.40 0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 57.38 2djk s PHE 57 Cb -0.02 -4.22 0.03 0.00 0.51 0.00 0.00 43.02 39.32 2djk s PHE 57 CO -0.04 -2.34 0.05 0.20 0.70 0.00 0.00 175.22 173.78 2djk s GLY 58 N 4.58 0.17 0.48 4.36 0.00 0.70 -2.00 107.32 115.61 2djk s GLY 58 Ca 0.68 0.24 -0.12 0.00 0.00 0.00 0.00 44.72 45.51 2djk s GLY 58 CO 0.32 1.09 0.88 -0.51 0.00 0.00 0.00 173.10 174.88 2djk s THR 59 N 1.69 4.69 0.16 0.90 -4.23 0.79 -0.47 115.64 119.18 2djk s THR 59 Ca -0.01 0.84 -0.13 0.00 -1.18 0.00 0.00 61.69 61.21 2djk s THR 59 Cb -0.12 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 69.97 2djk s THR 59 CO -0.03 -0.70 0.36 -0.51 -0.54 0.00 0.00 174.62 173.21 2djk s ILE 60 N -2.61 0.06 -0.27 2.99 2.07 0.83 -1.45 121.20 122.83 2djk s ILE 60 Ca 0.54 -1.04 -0.21 0.00 -1.41 0.00 0.00 60.65 58.53 2djk s ILE 60 Cb -0.10 -1.58 -0.01 0.00 0.13 0.00 0.00 42.46 40.89 2djk s ILE 60 CO 0.36 -0.29 0.68 -0.62 -1.91 0.00 0.00 174.94 173.15 2djk s ASP 61 N -2.90 6.60 0.00 4.50 2.15 -1.26 -0.19 116.67 125.58 2djk s ASP 61 Ca 0.11 0.68 0.28 0.00 0.43 0.00 0.00 52.55 54.05 2djk s ASP 61 Cb 0.02 -2.36 1.53 0.00 -0.30 0.00 0.00 42.92 41.81 2djk s ASP 61 CO -0.04 -0.45 2.00 0.00 -0.17 0.00 0.00 175.17 176.51 2djk n ALA 62 N 5.85 2.64 -0.10 3.66 0.00 -0.99 -0.01 120.51 131.57 2djk n ALA 62 Ca 0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 2djk n ALA 62 Cb 0.49 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.66 0.88 -0.03 0.00 4.81 -1.26 -3.48 118.16 118.42 2djk n LYS 63 Ca 0.21 0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.64 2djk n LYS 63 Cb 0.16 -1.48 -0.05 0.00 0.02 0.00 0.00 35.03 33.69 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 -2.81 1.85 0.36 3.14 0.00 -1.23 -4.65 120.51 117.17 2djk n ALA 64 Ca -0.33 -0.41 0.08 0.00 0.00 0.00 0.00 53.44 52.78 2djk n ALA 64 Cb 1.07 0.12 -0.11 0.00 0.00 0.00 0.00 19.45 20.53 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 -2.23 0.00 -0.32 0.00 -0.00 0.98 -4.63 117.46 111.26 2djk n PHE 65 Ca -0.10 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.63 2djk n PHE 65 Cb 0.70 -0.19 0.48 0.00 -0.00 0.00 0.00 39.48 40.47 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 1.48 -0.59 0.32 7.13 0.00 0.82 0.27 105.19 114.62 2djk n GLY 66 Ca -0.00 0.55 0.17 0.00 0.00 0.00 0.00 46.02 46.74 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 1.18 1.21 0.00 4.61 0.00 -1.84 0.87 119.26 125.29 2djk h ALA 67 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2djk h ALA 67 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2djk h ALA 67 CO -0.36 -0.21 -0.61 0.72 0.00 0.00 0.00 179.25 178.79 2djk n HIS 68 N -2.88 0.05 0.03 0.00 -0.00 0.76 -3.50 115.22 109.67 2djk n HIS 68 Ca -0.02 0.02 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2djk n HIS 68 Cb 0.27 -0.26 -0.09 0.00 -0.00 0.00 0.00 29.99 29.91 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 2.94 -0.11 -0.12 -1.41 0.00 0.72 -3.26 119.26 118.01 2djk h ALA 69 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2djk h ALA 69 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2djk h ALA 69 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.34 2djk n GLY 70 N 0.17 0.57 0.01 0.00 0.00 -1.23 -4.03 105.19 100.68 2djk n GLY 70 Ca -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 0.69 0.03 -0.00 1.61 5.03 -1.23 -0.00 115.26 121.38 2djk n ASN 71 Ca 0.17 0.50 0.03 0.00 0.87 0.00 0.00 54.58 56.16 2djk n ASN 71 Cb 0.44 -0.51 -0.05 0.00 -1.02 0.00 0.00 39.78 38.64 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 -1.53 0.09 0.00 3.41 -0.00 -1.26 -5.02 117.00 112.69 2djk n LEU 72 Ca -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2djk n LEU 72 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 2djk n LEU 72 CO 0.00 0.02 0.00 0.59 -0.00 0.00 0.00 177.39 178.01 2djk n ASN 73 N -1.58 -0.00 -3.97 1.45 3.02 0.99 -4.79 115.26 110.38 2djk n ASN 73 Ca -0.01 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.23 2djk n ASN 73 Cb 0.16 0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.45 2djk n ASN 73 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2djk n LEU 74 N -1.73 -3.31 -0.26 3.41 7.99 -1.23 -4.82 117.00 117.04 2djk n LEU 74 Ca 0.00 0.02 0.05 0.00 -0.01 0.00 0.00 56.01 56.07 2djk n LEU 74 Cb 0.00 -0.52 0.00 0.00 -0.11 0.00 0.00 43.42 42.79 2djk n LEU 74 CO 0.00 -2.87 0.23 1.17 -1.51 0.00 0.00 177.39 174.41 2djk n LYS 75 N 2.48 1.95 -3.27 3.23 3.00 -1.26 -3.99 118.16 120.30 2djk n LYS 75 Ca -0.02 -0.66 -0.23 0.00 -0.00 0.00 0.00 58.31 57.39 2djk n LYS 75 Cb 0.73 -1.12 0.04 0.00 0.00 0.00 0.00 35.03 34.69 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 -0.19 -2.21 0.04 3.15 -2.24 -1.26 -4.88 114.28 106.68 2djk n THR 76 Ca 0.05 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 2djk n THR 76 Cb 0.24 -3.47 -0.13 0.00 -2.10 0.00 0.00 70.33 64.87 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 -1.78 0.14 -5.20 3.42 3.04 -1.96 -3.48 116.42 110.60 2djk h ASP 77 Ca -0.54 -0.19 -0.09 0.00 -3.24 0.00 0.00 57.03 52.98 2djk h ASP 77 Cb 1.36 -0.04 -0.13 0.00 -1.04 0.00 0.00 39.33 39.48 2djk h ASP 77 CO 0.57 1.16 -0.28 -0.75 -2.04 0.00 0.00 179.24 177.90 2djk s LYS 78 N -2.65 1.08 0.31 4.15 2.20 -1.26 -5.16 119.74 118.41 2djk s LYS 78 Ca -0.04 -1.04 -0.12 0.00 -0.36 0.00 0.00 55.97 54.41 2djk s LYS 78 Cb 0.08 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 2djk s LYS 78 CO 0.83 -0.39 0.60 -0.06 -0.36 0.00 0.00 175.35 175.97 2djk s PHE 79 N -3.91 0.37 1.10 4.03 0.40 -1.26 -4.57 117.98 114.15 2djk s PHE 79 Ca 0.12 -0.80 -0.13 0.00 -0.60 0.00 0.00 56.93 55.51 2djk s PHE 79 Cb 0.03 0.38 0.21 0.00 0.51 0.00 0.00 43.02 44.16 2djk s PHE 79 CO -0.05 -1.22 0.82 -2.30 0.70 0.00 0.00 175.22 173.17 2djk n PRO 80 N -0.48 -1.80 -4.22 0.24 -0.02 -1.26 -4.80 135.00 122.67 2djk n PRO 80 Ca -0.03 -0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 60.83 2djk n PRO 80 Cb 0.61 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.42 1.24 -0.04 3.55 0.00 -0.11 -4.65 121.76 119.33 2djk s ALA 81 Ca 0.65 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2djk s ALA 81 Cb -0.22 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.56 2djk s ALA 81 CO 0.64 -0.37 0.09 0.12 0.00 0.00 0.00 175.76 176.24 2djk s PHE 82 N -3.76 -0.08 -0.17 0.00 2.19 -1.26 0.76 117.98 115.66 2djk s PHE 82 Ca 0.24 0.28 0.00 0.00 0.33 0.00 0.00 56.93 57.78 2djk s PHE 82 Cb 0.06 -0.08 0.04 0.00 -1.31 0.00 0.00 43.02 41.73 2djk s PHE 82 CO 0.04 -0.10 -0.09 0.00 1.83 0.00 0.00 175.22 176.90 2djk s ALA 83 N 0.72 1.74 -0.83 11.12 0.00 0.11 0.18 121.76 134.80 2djk s ALA 83 Ca -0.06 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 2djk s ALA 83 Cb -0.08 -1.16 0.22 0.00 0.00 0.00 0.00 23.12 22.10 2djk s ALA 83 CO -0.03 -0.70 0.77 0.42 0.00 0.00 0.00 175.76 176.22 2djk s ILE 84 N 1.52 5.61 0.34 0.00 1.01 -0.95 0.32 121.20 129.05 2djk s ILE 84 Ca 0.01 -2.45 -0.25 0.00 0.00 0.00 0.00 60.65 57.95 2djk s ILE 84 Cb -0.15 -4.47 -0.10 0.00 0.01 0.00 0.00 42.46 37.75 2djk s ILE 84 CO -0.08 -1.03 0.97 -1.58 0.00 0.00 0.00 174.94 173.21 2djk s GLN 85 N 0.20 4.49 -0.31 2.79 -0.44 0.16 0.63 119.66 127.17 2djk s GLN 85 Ca 0.18 1.36 -0.05 0.00 -2.50 0.00 0.00 55.36 54.35 2djk s GLN 85 Cb -0.10 -2.73 0.03 0.00 -1.64 0.00 0.00 33.01 28.57 2djk s GLN 85 CO -0.09 0.18 0.07 -1.21 0.50 0.00 0.00 175.29 174.74 2djk s GLU 86 N -2.18 2.71 0.00 1.67 2.02 0.24 0.16 118.70 123.32 2djk s GLU 86 Ca 0.52 -1.10 0.04 0.00 0.02 0.00 0.00 54.97 54.45 2djk s GLU 86 Cb -0.19 -3.35 0.17 0.00 0.10 0.00 0.00 34.13 30.86 2djk s GLU 86 CO 0.24 -0.58 1.13 0.28 0.02 0.00 0.00 175.26 176.34 2djk n VAL 87 N 4.78 0.11 -0.09 2.63 0.31 -1.24 0.89 118.33 125.72 2djk n VAL 87 Ca -0.13 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 63.93 2djk n VAL 87 Cb 0.45 0.04 -0.08 0.00 -0.91 0.00 0.00 33.84 33.34 2djk n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2djk n ALA 88 N -0.27 1.64 0.22 3.52 0.00 -1.26 -4.66 120.51 119.70 2djk n ALA 88 Ca 0.04 -0.78 0.03 0.00 0.00 0.00 0.00 53.44 52.73 2djk n ALA 88 Cb 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 2djk n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2djk n LYS 89 N -3.27 3.80 -1.30 0.00 4.76 -1.23 -4.99 118.16 115.93 2djk n LYS 89 Ca -0.34 -0.01 -0.00 0.00 -2.87 0.00 0.00 58.31 55.08 2djk n LYS 89 Cb 0.82 -0.88 -0.00 0.00 -1.84 0.00 0.00 35.03 33.13 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2djk n ASN 90 N -1.29 -2.51 -4.91 4.39 2.85 0.26 -5.04 115.26 109.02 2djk n ASN 90 Ca 0.01 0.01 -0.28 0.00 -0.11 0.00 0.00 54.58 54.20 2djk n ASN 90 Cb 0.11 -0.60 0.06 0.00 1.24 0.00 0.00 39.78 40.60 2djk n ASN 90 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2djk s GLN 91 N -2.60 2.40 -0.28 1.20 -1.52 -1.15 -4.75 119.66 112.96 2djk s GLN 91 Ca 0.00 0.10 -0.04 0.00 -1.95 0.00 0.00 55.36 53.47 2djk s GLN 91 Cb 0.00 -2.07 0.10 0.00 -0.22 0.00 0.00 33.01 30.82 2djk s GLN 91 CO 0.00 -1.23 0.12 0.15 -0.25 0.00 0.00 175.29 174.08 2djk s LYS 92 N -5.35 0.23 -1.02 2.91 3.01 -1.26 0.80 119.74 119.05 2djk s LYS 92 Ca 0.59 -0.54 -0.04 0.00 -1.01 0.00 0.00 55.97 54.98 2djk s LYS 92 Cb -0.11 -1.31 0.28 0.00 -1.01 0.00 0.00 37.83 35.68 2djk s LYS 92 CO 0.48 -0.98 1.21 1.19 0.51 0.00 0.00 175.35 177.76 2djk n PHE 93 N 5.21 3.54 -1.95 3.18 3.72 0.21 -4.64 117.46 126.73 2djk n PHE 93 Ca -0.06 -3.34 -0.29 0.00 -0.05 0.00 0.00 57.45 53.71 2djk n PHE 93 Cb 0.43 -1.30 0.05 0.00 -0.94 0.00 0.00 39.48 37.72 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 -2.14 2.75 0.56 -1.08 0.04 -1.26 -2.24 135.00 131.63 2djk s PRO 94 Ca 0.31 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.75 2djk s PRO 94 Cb -0.00 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.55 2djk s PRO 94 CO 0.01 -1.07 0.77 0.12 0.04 0.00 0.00 177.00 176.88 2djk s PHE 95 N -3.34 2.30 1.06 0.56 5.36 0.47 -4.87 117.98 119.51 2djk s PHE 95 Ca 0.58 -0.30 -0.17 0.00 -0.96 0.00 0.00 56.93 56.08 2djk s PHE 95 Cb -0.11 -2.61 0.24 0.00 -0.34 0.00 0.00 43.02 40.20 2djk s PHE 95 CO 0.51 -0.99 1.24 -0.51 -1.46 0.00 0.00 175.22 174.00 2djk s ASP 96 N -4.52 2.21 -0.02 6.13 1.11 -1.26 -4.41 116.67 115.92 2djk s ASP 96 Ca 0.60 0.41 0.09 0.00 0.18 0.00 0.00 52.55 53.82 2djk s ASP 96 Cb -0.08 -0.54 -0.13 0.00 1.07 0.00 0.00 42.92 43.24 2djk s ASP 96 CO 0.38 -3.30 0.18 0.00 1.18 0.00 0.00 175.17 173.61 2djk n GLN 97 N -4.17 0.48 -0.65 8.23 6.02 -1.26 -4.54 117.38 121.48 2djk n GLN 97 Ca 0.14 -0.07 0.04 0.00 -0.01 0.00 0.00 57.00 57.11 2djk n GLN 97 Cb 0.59 -1.21 0.07 0.00 1.02 0.00 0.00 30.24 30.72 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 -1.85 0.57 0.01 -1.09 0.28 -1.26 -4.26 120.64 113.05 2djk n GLU 98 Ca -0.03 -2.01 0.11 0.00 -0.16 0.00 0.00 57.16 55.08 2djk n GLU 98 Cb 0.28 -0.81 0.06 0.00 1.43 0.00 0.00 31.44 32.39 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 -0.41 0.11 -0.53 3.44 3.00 -1.26 -5.04 118.16 117.47 2djk n LYS 99 Ca 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2djk n LYS 99 Cb 0.79 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 34.29 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 -1.68 0.00 -3.00 1.64 2.13 -1.26 -4.99 120.64 113.48 2djk n GLU 100 Ca 0.04 0.22 -0.44 0.00 0.66 0.00 0.00 57.16 57.64 2djk n GLU 100 Cb 0.37 -0.31 -0.04 0.00 0.27 0.00 0.00 31.44 31.74 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 4.69 0.00 6.31 1.01 -1.26 -4.88 121.20 127.07 2djk s ILE 101 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2djk s ILE 101 Cb 0.00 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2djk s ILE 101 CO 0.00 -1.32 0.00 0.35 0.00 0.00 0.00 174.94 173.97 2djk n THR 102 N 5.55 0.00 0.00 2.92 -2.24 -1.26 -4.94 114.28 114.31 2djk n THR 102 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2djk n THR 102 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.39 4.78 7.35 -1.26 -2.50 117.46 125.44 2djk n PHE 103 Ca 0.00 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 57.01 2djk n PHE 103 Cb 0.00 -0.43 0.59 0.00 0.35 0.00 0.00 39.48 39.99 2djk n PHE 103 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 2djk h GLU 104 N 0.00 0.15 -0.12 -4.13 -0.00 -1.97 0.86 114.58 109.36 2djk h GLU 104 Ca 0.00 -0.01 -0.18 0.00 -0.00 0.00 0.00 59.36 59.17 2djk h GLU 104 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 28.71 2djk h GLU 104 CO 0.00 0.10 -0.67 0.00 -0.00 0.00 0.00 179.01 178.43 2djk h ALA 105 N 1.74 0.61 0.01 1.06 0.00 -1.91 -1.96 119.26 118.81 2djk h ALA 105 Ca 0.79 -0.57 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 2djk h ALA 105 Cb 2.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 2djk h ALA 105 CO -0.52 0.73 -1.28 0.82 0.00 0.00 0.00 179.25 178.99 2djk h ILE 106 N 0.35 0.92 -0.79 0.00 1.08 0.11 -2.20 117.51 116.98 2djk h ILE 106 Ca -0.02 -2.20 0.16 0.00 -0.39 0.00 0.00 64.86 62.40 2djk h ILE 106 Cb 1.24 2.29 -0.10 0.00 -3.07 0.00 0.00 36.82 37.18 2djk h ILE 106 CO 0.12 0.37 0.33 0.07 -0.69 0.00 0.00 178.15 178.35 2djk h LYS 107 N -0.90 0.44 -0.01 2.37 5.09 0.34 0.31 116.57 124.20 2djk h LYS 107 Ca -0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 60.35 2djk h LYS 107 Cb 1.36 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.59 2djk h LYS 107 CO -0.18 0.29 -0.05 0.00 -2.09 0.00 0.00 179.45 177.43 2djk h ALA 108 N 1.58 0.02 -0.04 0.07 0.00 -1.50 -1.63 119.26 117.75 2djk h ALA 108 Ca 0.44 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2djk h ALA 108 Cb 0.70 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2djk h ALA 108 CO -0.42 -0.11 -0.32 0.35 0.00 0.00 0.00 179.25 178.74 2djk h PHE 109 N -0.56 -0.95 -0.83 0.00 3.04 -0.63 0.18 116.94 117.19 2djk h PHE 109 Ca -0.00 0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.14 2djk h PHE 109 Cb 0.70 0.42 -0.10 0.00 2.56 0.00 0.00 35.95 39.53 2djk h PHE 109 CO 0.15 -0.33 0.39 -0.39 -2.02 0.00 0.00 178.31 176.11 2djk h VAL 110 N -0.37 0.65 -0.94 1.41 -1.51 -0.55 0.32 116.25 115.26 2djk h VAL 110 Ca 0.01 -0.18 0.19 0.00 -1.23 0.00 0.00 66.70 65.49 2djk h VAL 110 Cb 0.41 0.08 -0.11 0.00 -2.13 0.00 0.00 31.29 29.55 2djk h VAL 110 CO -0.24 0.10 0.52 -0.78 -1.23 0.00 0.00 177.57 175.94 2djk h ASP 111 N 0.52 0.63 0.15 4.19 1.82 -0.06 1.13 116.42 124.81 2djk h ASP 111 Ca 0.47 0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 57.14 2djk h ASP 111 Cb 0.74 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 2djk h ASP 111 CO -0.41 0.20 -0.28 -0.78 -1.61 0.00 0.00 179.24 176.36 2djk h ASP 112 N 0.65 0.21 0.11 2.28 1.82 0.25 -0.32 116.42 121.43 2djk h ASP 112 Ca 0.55 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 57.11 2djk h ASP 112 Cb 0.87 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.83 2djk h ASP 112 CO -0.41 0.50 -0.05 0.15 -1.61 0.00 0.00 179.24 177.82 2djk h PHE 113 N 0.19 -0.14 -0.59 0.28 3.57 0.19 1.99 116.94 122.43 2djk h PHE 113 Ca 0.03 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.65 2djk h PHE 113 Cb 0.61 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 2djk h PHE 113 CO 0.01 -0.09 -0.00 0.28 -2.23 0.00 0.00 178.31 176.28 2djk h VAL 114 N -0.34 0.52 -0.96 1.41 2.07 0.12 0.78 116.25 119.84 2djk h VAL 114 Ca -0.02 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 67.62 2djk h VAL 114 Cb 0.12 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 2djk h VAL 114 CO 0.03 0.02 0.61 0.00 0.02 0.00 0.00 177.57 178.24 2djk h ALA 115 N 1.53 1.70 0.00 1.67 0.00 -1.19 -3.45 119.26 119.53 2djk h ALA 115 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2djk h ALA 115 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2djk h ALA 115 CO -0.50 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.17 2djk n GLY 116 N -1.38 2.00 0.26 0.00 0.00 0.27 -5.05 105.19 101.29 2djk n GLY 116 Ca 0.20 0.00 -0.24 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 -0.23 0.50 -1.93 1.61 0.00 0.62 -4.99 118.16 113.75 2djk n LYS 117 Ca 0.00 0.21 -0.38 0.00 0.00 0.00 0.00 58.31 58.14 2djk n LYS 117 Cb 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 35.03 33.72 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 -2.43 2.40 0.26 3.15 1.01 0.19 -4.91 121.20 120.86 2djk s ILE 118 Ca -0.33 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2djk s ILE 118 Cb 0.12 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 2djk s ILE 118 CO 0.42 -0.01 0.12 -1.61 0.00 0.00 0.00 174.94 173.86 2djk s GLU 119 N -2.91 1.41 -0.42 2.79 2.02 -1.26 -4.82 118.70 115.52 2djk s GLU 119 Ca 0.70 -1.77 -0.42 0.00 0.02 0.00 0.00 54.97 53.50 2djk s GLU 119 Cb -0.36 -0.10 -0.17 0.00 0.10 0.00 0.00 34.13 33.59 2djk s GLU 119 CO 0.43 -0.35 1.89 -2.30 0.02 0.00 0.00 175.26 174.95 2djk n PRO 120 N -0.45 0.49 -0.02 0.39 -0.02 -1.26 -4.88 135.00 129.25 2djk n PRO 120 Ca 0.01 0.16 -0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2djk n PRO 120 Cb 0.66 -1.82 -0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2djk n PRO 120 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2djk h SER 121 N 7.98 0.00 0.00 2.55 0.87 -1.97 -3.44 113.55 119.54 2djk h SER 121 Ca -0.32 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 2djk h SER 121 Cb 1.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 2djk h SER 121 CO 1.01 0.19 -1.31 2.30 -0.53 0.00 0.00 176.83 178.50 2djk n ILE 122 N -2.99 0.31 -0.02 2.23 -0.00 -1.26 -4.63 119.36 113.00 2djk n ILE 122 Ca -0.00 -0.19 0.22 0.00 -0.00 0.00 0.00 62.75 62.78 2djk n ILE 122 Cb 0.02 -0.88 0.55 0.00 -0.00 0.00 0.00 39.64 39.34 2djk n ILE 122 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 2djk h LYS 123 N 0.00 0.00 0.00 6.28 2.10 -1.87 -3.41 116.57 119.68 2djk h LYS 123 Ca -0.12 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.19 2djk h LYS 123 Cb 1.27 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 32.80 2djk h LYS 123 CO 0.01 0.00 -0.15 0.45 -2.00 0.00 0.00 179.45 177.75 2djk n SER 124 N -3.34 -3.96 -3.27 7.07 2.88 -1.26 -5.04 113.62 106.70 2djk n SER 124 Ca 0.14 -0.82 -0.18 0.00 -1.33 0.00 0.00 58.87 56.67 2djk n SER 124 Cb 1.06 -0.92 -0.07 0.00 -0.75 0.00 0.00 64.21 63.53 2djk n SER 124 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2djk s GLU 125 N -4.94 0.80 0.37 -1.46 2.12 -1.26 -5.11 118.70 109.22 2djk s GLU 125 Ca 0.62 -1.32 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 2djk s GLU 125 Cb -0.11 -0.85 0.08 0.00 0.26 0.00 0.00 34.13 33.51 2djk s GLU 125 CO 0.52 -1.28 0.50 -0.35 -0.54 0.00 0.00 175.26 174.11 2djk n PRO 126 N 3.56 -0.42 -3.83 4.30 -0.04 -1.26 -5.04 135.00 132.27 2djk n PRO 126 Ca 0.18 -0.81 -0.32 0.00 -0.04 0.00 0.00 63.50 62.51 2djk n PRO 126 Cb 0.47 -0.50 -0.11 0.00 -0.04 0.00 0.00 33.50 33.32 2djk n PRO 126 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2djk s ILE 127 N -2.02 3.27 0.00 0.52 -1.09 -1.26 -5.09 121.20 115.54 2djk s ILE 127 Ca 0.29 -3.73 0.00 0.00 -2.23 0.00 0.00 60.65 54.97 2djk s ILE 127 Cb -0.01 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 2djk s ILE 127 CO 0.20 -0.95 0.00 -2.65 -1.23 0.00 0.00 174.94 170.31 2djk n PRO 128 N 2.58 0.92 -3.69 2.79 -0.02 -1.26 -4.99 135.00 131.34 2djk n PRO 128 Ca 0.14 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.34 2djk n PRO 128 Cb 0.35 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.72 2djk n PRO 128 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2djk s GLU 129 N -0.37 1.70 0.01 -0.52 -1.05 -1.26 -5.10 118.70 112.12 2djk s GLU 129 Ca 0.00 -2.66 -0.30 0.00 -0.15 0.00 0.00 54.97 51.86 2djk s GLU 129 Cb 0.00 -2.53 -0.04 0.00 -0.44 0.00 0.00 34.13 31.11 2djk s GLU 129 CO 0.00 -1.29 1.15 0.15 0.95 0.00 0.00 175.26 176.22 2djk s LYS 130 N -0.58 4.43 0.51 -4.83 1.02 -1.26 -5.04 119.74 114.00 2djk s LYS 130 Ca 0.26 1.67 0.05 0.00 0.02 0.00 0.00 55.97 57.97 2djk s LYS 130 Cb -0.06 -3.43 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2djk s LYS 130 CO -0.14 -0.28 0.29 -1.14 -0.92 0.00 0.00 175.35 173.17 2djk s GLN 131 N 1.41 2.25 0.58 1.68 0.74 -1.26 -5.05 119.66 120.01 2djk s GLN 131 Ca 0.56 -2.04 0.00 0.00 0.05 0.00 0.00 55.36 53.93 2djk s GLN 131 Cb -0.26 -1.99 0.00 0.00 1.10 0.00 0.00 33.01 31.86 2djk s GLN 131 CO 0.27 -0.47 0.00 0.39 -0.55 0.00 0.00 175.29 174.92 2djk n GLU 132 N -1.58 -3.61 -0.48 1.67 1.02 -1.26 -5.34 120.64 111.06 2djk n GLU 132 Ca -0.05 2.86 0.00 0.00 -0.02 0.00 0.00 57.16 59.96 2djk n GLU 132 Cb 0.65 -3.78 0.00 0.00 -0.02 0.00 0.00 31.44 28.28 2djk n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72