#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1okd h GLY 3 N 0.00 0.83 0.48 0.23 0.00 -1.80 -2.98 103.07 99.84 1okd h GLY 3 Ca 0.00 -0.82 0.21 0.00 0.00 0.00 0.00 47.33 46.72 1okd h GLY 3 CO 0.00 0.75 0.55 1.41 0.00 0.00 0.00 176.54 179.25 1okd h LEU 4 N 0.63 0.00 -0.16 3.11 -0.00 -1.88 0.60 115.31 117.61 1okd h LEU 4 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 1okd h LEU 4 Cb 0.92 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1okd h LEU 4 CO 0.08 0.00 -0.05 0.44 -0.00 0.00 0.00 178.44 178.92 1okd h ASP 5 N 0.00 0.32 0.41 -0.43 3.32 -1.74 0.83 116.42 119.13 1okd h ASP 5 Ca 0.35 -0.38 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 1okd h ASP 5 Cb 1.45 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.93 1okd h ASP 5 CO -0.00 0.63 -1.22 0.07 -1.72 0.00 0.00 179.24 176.99 1okd h LYS 6 N 0.01 0.41 -0.03 3.56 2.10 -1.16 -2.72 116.57 118.74 1okd h LYS 6 Ca 0.04 -0.61 -0.23 0.00 -2.00 0.00 0.00 60.65 57.86 1okd h LYS 6 Cb 0.49 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1okd h LYS 6 CO 0.02 1.26 -0.91 1.88 -2.00 0.00 0.00 179.45 179.70 1okd h TYR 7 N 0.16 0.71 -2.51 0.07 0.05 0.07 -3.38 116.97 112.14 1okd h TYR 7 Ca -0.15 -0.37 -0.60 0.00 0.05 0.00 0.00 58.73 57.66 1okd h TYR 7 Cb 1.91 -0.09 -0.40 0.00 1.01 0.00 0.00 36.73 39.16 1okd h TYR 7 CO 0.08 1.18 -0.77 -0.11 -1.05 0.00 0.00 178.16 177.50 1okd n LEU 8 N -3.79 1.84 -4.74 3.88 0.00 0.29 -4.54 117.00 109.94 1okd n LEU 8 Ca -0.07 -4.97 -0.30 0.00 0.00 0.00 0.00 56.01 50.67 1okd n LEU 8 Cb 0.82 -0.17 0.12 0.00 0.00 0.00 0.00 43.42 44.18 1okd n LEU 8 CO 0.52 1.91 0.68 -2.84 0.00 0.00 0.00 177.39 177.65 1okd s PRO 9 N -1.27 1.60 -1.33 1.96 0.02 -1.03 -4.04 135.00 130.91 1okd s PRO 9 Ca 0.32 0.89 -0.05 0.00 0.02 0.00 0.00 61.00 62.19 1okd s PRO 9 Cb 0.06 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.75 1okd s PRO 9 CO -0.13 -2.02 0.96 0.41 -0.33 0.00 0.00 177.00 175.89 1okd n GLY 10 N -1.25 -0.41 2.90 0.52 0.00 -1.26 -4.88 105.19 100.80 1okd n GLY 10 Ca 0.07 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1okd n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1okd s ILE 11 N -3.42 1.50 -0.24 -0.61 -1.09 -1.26 -4.82 121.20 111.26 1okd s ILE 11 Ca 0.26 -1.51 -0.18 0.00 -2.23 0.00 0.00 60.65 57.00 1okd s ILE 11 Cb -0.12 -1.94 -0.16 0.00 -1.58 0.00 0.00 42.46 38.65 1okd s ILE 11 CO 0.77 -0.37 -0.03 -0.62 -1.23 0.00 0.00 174.94 173.46 1okd n GLU 12 N 4.63 0.57 -4.11 2.79 -0.58 -1.26 -5.04 120.64 117.64 1okd n GLU 12 Ca -0.06 0.44 -0.10 0.00 -0.42 0.00 0.00 57.16 57.03 1okd n GLU 12 Cb 0.43 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.57 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1okd s LYS 13 N -2.43 1.02 0.34 3.49 1.02 -1.26 -4.19 119.74 117.74 1okd s LYS 13 Ca -0.33 -1.41 0.08 0.00 0.02 0.00 0.00 55.97 54.34 1okd s LYS 13 Cb 0.09 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1okd s LYS 13 CO 0.54 -0.32 0.22 -0.51 -0.92 0.00 0.00 175.35 174.36 1okd s LEU 14 N -3.05 3.42 0.00 3.17 1.43 -1.25 -4.73 118.68 117.67 1okd s LEU 14 Ca 0.25 -0.65 0.29 0.00 -1.03 0.00 0.00 54.13 52.99 1okd s LEU 14 Cb 0.06 -1.96 1.50 0.00 0.03 0.00 0.00 46.19 45.83 1okd s LEU 14 CO 0.03 -0.34 2.01 -1.14 0.23 0.00 0.00 176.35 177.14 1okd n ARG 15 N -1.26 0.50 -2.91 1.70 3.00 0.24 -3.83 116.66 114.11 1okd n ARG 15 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1okd n ARG 15 Cb 0.61 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.57 1okd n ARG 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1okd n ARG 16 N -1.23 -0.97 0.00 -0.14 0.00 -0.81 -4.00 116.66 109.50 1okd n ARG 16 Ca 0.15 -0.24 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1okd n ARG 16 Cb 0.21 0.43 0.00 0.00 0.00 0.00 0.00 32.46 33.09 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1okd n GLY 17 N -0.91 1.13 0.09 5.14 0.00 -0.35 -2.39 105.19 107.90 1okd n GLY 17 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 1okd n GLY 17 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1okd h ASP 18 N 0.00 -0.28 -1.58 1.61 5.19 -1.84 -3.46 116.42 116.05 1okd h ASP 18 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1okd h ASP 18 Cb 0.00 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1okd h ASP 18 CO 0.00 -0.11 0.00 0.61 -3.12 0.00 0.00 179.24 176.62 1okd n GLY 19 N -1.10 6.39 3.54 2.75 0.00 -1.01 -5.10 105.19 110.67 1okd n GLY 19 Ca -0.02 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 1okd n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1okd s GLU 20 N 0.52 1.98 0.05 1.61 -1.05 -1.26 -1.92 118.70 118.63 1okd s GLU 20 Ca 0.00 -1.16 0.06 0.00 -0.15 0.00 0.00 54.97 53.72 1okd s GLU 20 Cb 0.00 -2.19 -0.02 0.00 -0.44 0.00 0.00 34.13 31.48 1okd s GLU 20 CO 0.00 0.47 -0.17 0.14 0.95 0.00 0.00 175.26 176.66 1okd s VAL 21 N -1.34 1.32 0.26 1.83 -7.23 -1.25 -4.94 120.40 109.05 1okd s VAL 21 Ca 0.21 -1.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 1okd s VAL 21 Cb -0.10 -1.19 -0.13 0.00 0.56 0.00 0.00 36.38 35.52 1okd s VAL 21 CO 0.13 0.04 1.44 -1.84 -0.31 0.00 0.00 175.10 174.55 1okd n GLU 22 N 1.76 2.19 0.11 4.82 0.00 -1.26 -3.86 120.64 124.41 1okd n GLU 22 Ca -0.18 0.78 0.18 0.00 0.00 0.00 0.00 57.16 57.94 1okd n GLU 22 Cb 0.54 -2.46 0.74 0.00 0.00 0.00 0.00 31.44 30.26 1okd n GLU 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1okd h VAL 23 N 3.06 0.64 -0.60 3.84 2.07 -1.97 -0.52 116.25 122.76 1okd h VAL 23 Ca -0.46 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.24 1okd h VAL 23 Cb 1.26 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1okd h VAL 23 CO 0.75 0.00 0.54 0.50 0.02 0.00 0.00 177.57 179.38 1okd h LYS 24 N 0.00 0.00 0.00 1.57 3.64 -1.92 0.24 116.57 120.09 1okd h LYS 24 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1okd h LYS 24 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1okd h LYS 24 CO -0.00 0.00 0.00 1.03 -2.27 0.00 0.00 179.45 178.21 1okd h SER 25 N 0.00 0.00 -1.52 4.20 0.87 -1.44 -2.02 113.55 113.63 1okd h SER 25 Ca 0.29 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 60.17 1okd h SER 25 Cb 1.37 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.99 1okd h SER 25 CO -0.00 0.00 0.24 0.18 -0.53 0.00 0.00 176.83 176.72 1okd n LEU 26 N -2.57 6.36 -4.19 2.23 4.77 0.83 -4.90 117.00 119.53 1okd n LEU 26 Ca -0.02 -4.85 -0.41 0.00 -0.03 0.00 0.00 56.01 50.70 1okd n LEU 26 Cb 0.06 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.31 1okd n LEU 26 CO 0.14 1.91 0.26 0.00 -1.33 0.00 0.00 177.39 178.36 1okd s ALA 27 N -3.81 3.90 0.00 -1.18 0.00 -0.76 -4.55 121.76 115.37 1okd s ALA 27 Ca 0.53 -3.39 0.00 0.00 0.00 0.00 0.00 51.96 49.10 1okd s ALA 27 Cb 0.44 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1okd s ALA 27 CO -0.22 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 173.76 1okd n GLY 28 N 3.47 0.67 1.49 0.00 0.00 -1.26 -4.93 105.19 104.64 1okd n GLY 28 Ca 0.13 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1okd n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1okd n LYS 29 N -0.12 0.31 -3.55 1.61 2.85 -1.26 -4.91 118.16 113.08 1okd n LYS 29 Ca 0.00 -1.25 -0.41 0.00 -1.05 0.00 0.00 58.31 55.60 1okd n LYS 29 Cb 0.05 1.20 -0.08 0.00 -0.65 0.00 0.00 35.03 35.55 1okd n LYS 29 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1okd s LEU 30 N 0.00 5.78 -0.40 -5.58 2.96 -1.26 -3.41 118.68 116.76 1okd s LEU 30 Ca 0.13 -2.25 -0.25 0.00 -0.22 0.00 0.00 54.13 51.54 1okd s LEU 30 Cb -0.00 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.69 1okd s LEU 30 CO 0.09 -0.60 0.87 -0.69 -1.32 0.00 0.00 176.35 174.70 1okd s VAL 31 N 0.84 4.60 0.28 1.68 1.01 -1.04 -2.72 120.40 125.05 1okd s VAL 31 Ca 0.10 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1okd s VAL 31 Cb -0.22 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1okd s VAL 31 CO -0.03 -0.62 0.50 -0.36 0.00 0.00 0.00 175.10 174.60 1okd s PHE 32 N 3.44 3.48 -0.22 5.22 0.40 0.09 -2.10 117.98 128.30 1okd s PHE 32 Ca 0.35 0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 57.12 1okd s PHE 32 Cb -0.12 -1.98 0.08 0.00 0.51 0.00 0.00 43.02 41.51 1okd s PHE 32 CO 0.21 0.22 0.10 -0.06 0.70 0.00 0.00 175.22 176.39 1okd s PHE 33 N -2.08 0.33 -0.35 0.36 0.40 34.29 0.80 117.98 151.74 1okd s PHE 33 Ca 0.41 -0.59 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 1okd s PHE 33 Cb -0.11 -0.81 -0.00 0.00 0.51 0.00 0.00 43.02 42.61 1okd s PHE 33 CO 0.31 -0.64 0.52 1.52 0.70 0.00 0.00 175.22 177.63 1okd s TYR 34 N 2.09 3.18 -0.11 0.36 -0.85 3.03 -1.03 117.35 124.02 1okd s TYR 34 Ca 0.05 0.20 -0.20 0.00 -0.52 0.00 0.00 57.07 56.59 1okd s TYR 34 Cb -0.16 -2.94 -0.04 0.00 0.38 0.00 0.00 41.96 39.20 1okd s TYR 34 CO -0.19 -0.54 0.56 -0.06 -1.52 0.00 0.00 175.55 173.79 1okd s PHE 35 N 2.42 3.53 -0.13 -3.49 0.40 -1.01 -1.31 117.98 118.38 1okd s PHE 35 Ca 0.19 1.01 -0.34 0.00 -0.60 0.00 0.00 56.93 57.19 1okd s PHE 35 Cb -0.15 -2.65 0.13 0.00 0.51 0.00 0.00 43.02 40.86 1okd s PHE 35 CO 0.13 0.12 1.20 0.45 0.70 0.00 0.00 175.22 177.82 1okd s SER 36 N 0.71 -0.14 0.30 1.36 0.15 -0.35 -0.86 113.70 114.88 1okd s SER 36 Ca 0.30 -0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.95 1okd s SER 36 Cb -0.16 0.17 -0.06 0.00 -1.71 0.00 0.00 66.02 64.26 1okd s SER 36 CO 0.13 -0.29 0.03 0.00 1.20 0.00 0.00 173.24 174.31 1okd s ALA 37 N -2.49 2.24 -1.63 5.45 0.00 -1.26 -0.56 121.76 123.51 1okd s ALA 37 Ca 0.10 -1.98 0.17 0.00 0.00 0.00 0.00 51.96 50.25 1okd s ALA 37 Cb 0.00 0.56 0.57 0.00 0.00 0.00 0.00 23.12 24.25 1okd s ALA 37 CO -0.05 -0.26 1.46 -1.13 0.00 0.00 0.00 175.76 175.79 1okd n SER 38 N -0.62 3.62 0.00 0.00 3.41 -1.26 -4.10 113.62 114.67 1okd n SER 38 Ca -0.03 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1okd n SER 38 Cb 0.66 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1okd n SER 38 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1okd n TRP 39 N 1.10 0.00 -1.53 7.33 4.27 -1.26 -5.02 117.44 122.33 1okd n TRP 39 Ca 0.21 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.44 1okd n TRP 39 Cb 0.63 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.62 1okd n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1okd h PRO 41 N 0.34 -0.23 0.00 0.00 0.11 -1.95 -3.41 132.00 126.86 1okd h PRO 41 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1okd h PRO 41 Cb 1.39 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1okd h PRO 41 CO 0.49 -0.15 0.00 -0.35 -0.21 0.00 0.00 178.00 177.77 1okd n PRO 42 N -5.27 0.00 -2.41 1.05 -0.04 -1.26 -4.92 135.00 122.15 1okd n PRO 42 Ca -0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.30 1okd n PRO 42 Cb 0.19 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.66 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1okd n ARG 44 N 0.57 0.00 0.00 0.00 0.63 -1.26 -5.00 116.66 111.60 1okd n ARG 44 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1okd n ARG 44 Cb 0.38 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.29 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1okd n GLY 45 N 0.00 -0.54 0.00 5.14 0.00 -1.26 -4.81 105.19 103.72 1okd n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1okd n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1okd n PHE 46 N -2.14 0.00 0.00 1.61 7.35 -1.26 -4.35 117.46 118.67 1okd n PHE 46 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1okd n PHE 46 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1okd n PHE 46 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1okd n THR 47 N -0.09 0.00 1.38 -2.13 -2.24 -1.26 0.27 114.28 110.22 1okd n THR 47 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1okd n THR 47 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1okd n THR 47 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1okd n PRO 48 N 0.00 0.79 0.09 -0.78 -0.04 -1.26 -3.53 135.00 130.27 1okd n PRO 48 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1okd n PRO 48 Cb 0.00 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1okd n PRO 48 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1okd h GLN 49 N 0.05 0.00 0.00 0.54 5.75 0.37 -3.19 115.11 118.64 1okd h GLN 49 Ca 0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1okd h GLN 49 Cb 0.10 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1okd h GLN 49 CO 0.00 0.84 -0.37 1.25 -2.65 0.00 0.00 178.83 177.90 1okd h LEU 50 N 0.00 0.00 -0.88 -2.39 5.85 -1.77 -3.21 115.31 112.90 1okd h LEU 50 Ca -0.01 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1okd h LEU 50 Cb 1.51 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.43 1okd h LEU 50 CO 0.11 0.37 0.44 0.40 -0.34 0.00 0.00 178.44 179.42 1okd h ILE 51 N 0.00 0.65 0.09 4.05 2.04 -1.79 0.86 117.51 123.41 1okd h ILE 51 Ca -0.00 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1okd h ILE 51 Cb 0.99 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1okd h ILE 51 CO 0.05 0.10 -0.04 -0.33 0.00 0.00 0.00 178.15 177.93 1okd h GLU 52 N 0.56 -0.12 -0.13 2.37 4.39 -1.74 0.73 114.58 120.64 1okd h GLU 52 Ca 0.50 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 60.15 1okd h GLU 52 Cb 0.81 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1okd h GLU 52 CO -0.42 0.04 -0.22 0.35 -1.16 0.00 0.00 179.01 177.61 1okd h PHE 53 N -0.26 0.24 0.16 4.33 3.57 -1.38 -2.21 116.94 121.38 1okd h PHE 53 Ca -0.01 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1okd h PHE 53 Cb 0.22 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1okd h PHE 53 CO -0.03 0.44 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.49 1okd h TYR 54 N 0.21 -0.20 -0.26 0.41 3.20 0.99 -2.83 116.97 118.49 1okd h TYR 54 Ca 0.04 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1okd h TYR 54 Cb 0.51 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1okd h TYR 54 CO 0.01 0.14 0.25 0.22 -1.64 0.00 0.00 178.16 177.14 1okd h ASP 55 N -0.97 0.00 0.63 -2.11 3.58 0.47 1.48 116.42 119.50 1okd h ASP 55 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1okd h ASP 55 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1okd h ASP 55 CO 0.04 0.00 -0.66 0.29 -2.88 0.00 0.00 179.24 176.03 1okd n LYS 56 N -3.91 0.18 0.00 0.28 4.76 -0.83 -4.32 118.16 114.31 1okd n LYS 56 Ca 0.03 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1okd n LYS 56 Cb 0.40 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1okd n LYS 56 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1okd n PHE 57 N -1.84 0.00 -0.02 2.13 -1.74 -0.21 -4.86 117.46 110.93 1okd n PHE 57 Ca 0.04 -0.04 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 1okd n PHE 57 Cb 0.40 -0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.35 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -0.56 0.00 0.00 176.76 177.32 1okd h HIS 58 N 0.00 -0.06 0.08 2.97 2.07 0.18 -1.45 115.15 118.94 1okd h HIS 58 Ca 0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1okd h HIS 58 Cb 0.49 0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1okd h HIS 58 CO 0.00 -0.05 -0.04 1.05 -3.07 0.00 0.00 177.93 175.82 1okd h GLU 59 N 0.01 -0.11 0.00 5.12 -0.00 -1.86 0.56 114.58 118.30 1okd h GLU 59 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.43 1okd h GLU 59 Cb 0.10 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1okd h GLU 59 CO -0.14 0.03 0.00 0.43 -0.00 0.00 0.00 179.01 179.33 1okd n SER 60 N -5.09 0.00 0.02 3.06 7.64 -1.15 -2.75 113.62 115.36 1okd n SER 60 Ca -0.08 0.87 0.07 0.00 1.01 0.00 0.00 58.87 60.74 1okd n SER 60 Cb 0.12 -0.37 0.32 0.00 -1.01 0.00 0.00 64.21 63.28 1okd n SER 60 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1okd n LYS 61 N -1.78 0.03 -3.51 1.43 5.02 -0.56 -4.92 118.16 113.87 1okd n LYS 61 Ca 0.00 0.30 -0.16 0.00 -2.02 0.00 0.00 58.31 56.43 1okd n LYS 61 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1okd n LYS 61 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1okd n ASN 62 N -1.63 -6.01 -4.59 4.39 5.15 0.19 -4.83 115.26 107.93 1okd n ASN 62 Ca 0.03 -0.64 -0.27 0.00 -0.60 0.00 0.00 54.58 53.10 1okd n ASN 62 Cb 0.17 -3.22 -0.11 0.00 -0.53 0.00 0.00 39.78 36.09 1okd n ASN 62 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1okd s PHE 63 N -3.05 2.34 -0.02 1.20 0.08 -1.08 -4.37 117.98 113.08 1okd s PHE 63 Ca 0.05 -0.76 -0.02 0.00 0.12 0.00 0.00 56.93 56.32 1okd s PHE 63 Cb -0.02 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 1okd s PHE 63 CO 0.84 0.33 0.06 -2.00 -0.10 0.00 0.00 175.22 174.35 1okd s GLU 64 N -3.76 0.07 -0.19 0.44 2.56 -1.10 -4.90 118.70 111.82 1okd s GLU 64 Ca 0.33 0.09 -0.03 0.00 0.00 0.00 0.00 54.97 55.36 1okd s GLU 64 Cb 0.09 0.03 -0.01 0.00 2.00 0.00 0.00 34.13 36.24 1okd s GLU 64 CO 0.16 -0.01 -0.07 0.08 -0.56 0.00 0.00 175.26 174.86 1okd s VAL 65 N 0.06 3.29 -0.10 3.70 1.01 -1.26 -0.73 120.40 126.37 1okd s VAL 65 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1okd s VAL 65 Cb -0.01 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1okd s VAL 65 CO -0.00 0.46 0.11 -0.69 0.00 0.00 0.00 175.10 174.98 1okd s VAL 66 N 1.04 5.21 0.00 2.92 1.01 0.24 -2.76 120.40 128.06 1okd s VAL 66 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 1okd s VAL 66 Cb -0.15 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1okd s VAL 66 CO -0.01 0.58 0.78 0.12 0.00 0.00 0.00 175.10 176.58 1okd s PHE 67 N -1.03 3.67 -0.28 5.22 5.36 0.14 -2.57 117.98 128.50 1okd s PHE 67 Ca 0.16 1.44 0.03 0.00 -0.96 0.00 0.00 56.93 57.61 1okd s PHE 67 Cb -0.12 -2.87 0.07 0.00 -0.34 0.00 0.00 43.02 39.76 1okd s PHE 67 CO 0.05 0.17 -0.07 0.00 -1.46 0.00 0.00 175.22 173.91 1okd s THR 69 N 1.05 4.25 -0.17 0.00 -1.32 -1.26 -1.21 115.64 116.99 1okd s THR 69 Ca -0.04 0.79 0.22 0.00 -1.21 0.00 0.00 61.69 61.45 1okd s THR 69 Cb -0.20 -3.56 0.45 0.00 -1.51 0.00 0.00 72.50 67.68 1okd s THR 69 CO -0.06 -0.89 1.16 0.79 -2.21 0.00 0.00 174.62 173.41 1okd n TRP 70 N -2.76 0.48 -2.86 9.09 7.02 0.27 -4.63 117.44 124.05 1okd n TRP 70 Ca 0.07 -1.46 -0.21 0.00 -1.02 0.00 0.00 57.50 54.88 1okd n TRP 70 Cb 0.54 -0.01 0.07 0.00 -2.42 0.00 0.00 31.31 29.49 1okd n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1okd s ASP 71 N -2.82 4.93 -0.10 -0.99 1.11 -1.26 -4.54 116.67 113.00 1okd s ASP 71 Ca 0.26 -0.58 0.11 0.00 0.18 0.00 0.00 52.55 52.52 1okd s ASP 71 Cb 0.34 0.00 -0.15 0.00 1.07 0.00 0.00 42.92 44.18 1okd s ASP 71 CO -0.09 -1.43 0.07 -1.84 1.18 0.00 0.00 175.17 173.06 1okd n GLU 72 N -2.40 1.91 -4.40 8.23 0.00 -1.26 -5.02 120.64 117.71 1okd n GLU 72 Ca 0.14 -0.02 -0.24 0.00 0.00 0.00 0.00 57.16 57.04 1okd n GLU 72 Cb 0.61 -1.30 -0.09 0.00 0.00 0.00 0.00 31.44 30.66 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1okd s GLU 73 N -2.35 1.90 0.37 3.44 2.12 -1.26 -5.03 118.70 117.89 1okd s GLU 73 Ca -0.06 -1.60 0.19 0.00 0.36 0.00 0.00 54.97 53.86 1okd s GLU 73 Cb 0.04 -1.93 0.63 0.00 0.26 0.00 0.00 34.13 33.12 1okd s GLU 73 CO 0.48 0.35 1.71 0.93 -0.54 0.00 0.00 175.26 178.19 1okd h GLU 74 N 2.25 0.00 -0.77 4.30 5.08 -2.01 -3.20 114.58 120.24 1okd h GLU 74 Ca -0.42 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1okd h GLU 74 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 1okd h GLU 74 CO 0.59 0.38 0.43 0.22 -1.00 0.00 0.00 179.01 179.63 1okd h ASP 75 N 0.00 0.63 0.51 1.42 3.58 -2.00 -2.04 116.42 118.52 1okd h ASP 75 Ca -0.00 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1okd h ASP 75 Cb 0.94 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.92 1okd h ASP 75 CO 0.05 0.38 -0.25 1.23 -2.88 0.00 0.00 179.24 177.77 1okd h GLY 76 N 0.75 -0.72 0.64 -0.78 0.00 -1.95 -1.80 103.07 99.22 1okd h GLY 76 Ca 0.36 0.27 0.16 0.00 0.00 0.00 0.00 47.33 48.11 1okd h GLY 76 CO -0.22 -0.26 0.53 -2.75 0.00 0.00 0.00 176.54 173.83 1okd h PHE 77 N -0.88 0.00 0.06 5.60 3.04 -1.62 0.88 116.94 124.02 1okd h PHE 77 Ca -0.07 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 1okd h PHE 77 Cb 0.60 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1okd h PHE 77 CO -0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 178.31 176.26 1okd h ALA 78 N 1.46 -0.08 0.00 2.41 0.00 -1.09 -2.88 119.26 119.08 1okd h ALA 78 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1okd h ALA 78 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1okd h ALA 78 CO -0.00 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1okd n GLY 79 N 1.28 -1.25 0.11 0.00 0.00 -0.70 -1.31 105.19 103.31 1okd n GLY 79 Ca -0.06 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1okd n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1okd n TYR 80 N -2.26 0.00 0.18 1.61 9.36 0.30 -4.01 117.16 122.34 1okd n TYR 80 Ca 0.02 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.42 1okd n TYR 80 Cb 0.22 -0.22 0.76 0.00 -0.63 0.00 0.00 39.34 39.47 1okd n TYR 80 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1okd h PHE 81 N 0.52 0.00 -0.40 2.98 3.04 -0.97 -1.17 116.94 120.94 1okd h PHE 81 Ca 0.00 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 1okd h PHE 81 Cb 0.41 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 1okd h PHE 81 CO 0.00 0.00 0.51 0.00 -2.02 0.00 0.00 178.31 176.80 1okd h ALA 82 N 1.42 2.08 -2.95 2.41 0.00 -1.81 -3.42 119.26 116.99 1okd h ALA 82 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1okd h ALA 82 Cb 0.95 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1okd h ALA 82 CO -0.00 -0.72 -0.01 0.36 0.00 0.00 0.00 179.25 178.88 1okd n LYS 83 N -3.52 -1.11 -2.11 0.00 -0.00 -0.44 -4.82 118.16 106.16 1okd n LYS 83 Ca 0.07 -0.10 -0.43 0.00 -0.00 0.00 0.00 58.31 57.86 1okd n LYS 83 Cb 0.68 -0.15 -0.03 0.00 -0.00 0.00 0.00 35.03 35.54 1okd n LYS 83 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1okd s MET 84 N -2.37 3.89 0.00 -1.58 -1.94 -1.26 -4.89 119.30 111.15 1okd s MET 84 Ca 0.04 1.76 0.29 0.00 -1.71 0.00 0.00 55.69 56.07 1okd s MET 84 Cb -0.01 -4.01 1.31 0.00 2.01 0.00 0.00 34.83 34.13 1okd s MET 84 CO 0.04 -1.18 1.95 -0.35 -0.01 0.00 0.00 175.02 175.47 1okd n PRO 85 N 7.50 0.14 0.00 2.03 -0.04 -1.26 -4.58 135.00 138.79 1okd n PRO 85 Ca 0.18 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1okd n PRO 85 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1okd n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1okd n TRP 86 N -1.43 0.00 -3.89 0.54 2.14 -1.26 -1.21 117.44 112.33 1okd n TRP 86 Ca 0.09 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.53 1okd n TRP 86 Cb 0.30 -0.06 -0.14 0.00 -0.81 0.00 0.00 31.31 30.59 1okd n TRP 86 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1okd s LEU 87 N -2.36 1.83 0.01 5.67 1.43 -1.11 -3.77 118.68 120.38 1okd s LEU 87 Ca 0.00 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 1okd s LEU 87 Cb 0.00 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.19 1okd s LEU 87 CO 0.00 -0.02 0.28 0.00 0.23 0.00 0.00 176.35 176.85 1okd s ALA 88 N 0.18 -0.68 -0.24 4.21 0.00 -1.26 0.25 121.76 124.23 1okd s ALA 88 Ca -0.02 0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 1okd s ALA 88 Cb -0.03 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1okd s ALA 88 CO -0.01 -0.32 0.65 0.08 0.00 0.00 0.00 175.76 176.16 1okd s VAL 89 N -1.88 4.98 0.64 0.00 1.01 -1.25 0.82 120.40 124.72 1okd s VAL 89 Ca -0.10 1.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 1okd s VAL 89 Cb -0.03 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1okd s VAL 89 CO 0.01 0.04 1.12 -0.81 0.00 0.00 0.00 175.10 175.45 1okd n PRO 90 N 5.56 0.93 -0.28 2.72 -0.04 -1.26 -4.72 135.00 137.92 1okd n PRO 90 Ca -0.00 0.37 0.34 0.00 -0.04 0.00 0.00 63.50 64.16 1okd n PRO 90 Cb 0.49 -2.35 0.73 0.00 -0.04 0.00 0.00 33.50 32.34 1okd n PRO 90 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1okd h PHE 91 N 0.38 0.00 -0.95 0.54 3.04 -1.99 0.13 116.94 118.09 1okd h PHE 91 Ca -0.50 0.00 0.19 0.00 3.98 0.00 0.00 57.97 61.65 1okd h PHE 91 Cb 1.35 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.78 1okd h PHE 91 CO 0.39 0.00 0.61 0.00 -2.02 0.00 0.00 178.31 177.29 1okd h ALA 92 N 1.34 1.96 -0.14 2.41 0.00 -2.01 -1.31 119.26 121.51 1okd h ALA 92 Ca 0.53 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 1okd h ALA 92 Cb 2.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1okd h ALA 92 CO -0.01 -0.27 -0.05 1.04 0.00 0.00 0.00 179.25 179.96 1okd n GLN 93 N -4.61 2.01 0.24 0.00 1.13 0.43 -4.68 117.38 111.90 1okd n GLN 93 Ca 0.21 -2.81 0.18 0.00 -1.94 0.00 0.00 57.00 52.63 1okd n GLN 93 Cb 0.63 -1.68 0.88 0.00 0.11 0.00 0.00 30.24 30.17 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1okd h SER 94 N 0.90 0.00 -0.44 1.08 4.64 -1.02 0.41 113.55 119.13 1okd h SER 94 Ca 0.03 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.46 1okd h SER 94 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1okd h SER 94 CO 0.13 0.00 0.31 -0.08 -0.87 0.00 0.00 176.83 176.32 1okd h GLU 95 N 0.00 0.08 -0.66 4.77 4.81 -1.83 -0.69 114.58 121.06 1okd h GLU 95 Ca 0.07 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1okd h GLU 95 Cb 0.50 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1okd h GLU 95 CO -0.00 0.05 0.43 0.00 -0.73 0.00 0.00 179.01 178.77 1okd h ALA 96 N 1.78 0.84 -0.44 2.92 0.00 -1.25 -1.90 119.26 121.22 1okd h ALA 96 Ca 0.21 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1okd h ALA 96 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1okd h ALA 96 CO -0.02 0.25 0.30 0.28 0.00 0.00 0.00 179.25 180.06 1okd h VAL 97 N 0.88 0.94 0.42 0.00 2.07 -1.27 1.82 116.25 121.11 1okd h VAL 97 Ca 0.24 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1okd h VAL 97 Cb -0.09 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1okd h VAL 97 CO -0.06 0.06 -0.20 1.56 0.02 0.00 0.00 177.57 178.95 1okd h GLN 98 N 0.32 -0.54 0.11 1.57 1.08 -1.32 -0.98 115.11 115.35 1okd h GLN 98 Ca 0.20 0.04 -0.28 0.00 -1.45 0.00 0.00 58.65 57.15 1okd h GLN 98 Cb 0.37 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1okd h GLN 98 CO -0.04 -0.26 -1.32 1.57 -0.95 0.00 0.00 178.83 177.83 1okd h LYS 99 N -0.78 0.24 0.00 1.46 2.10 -1.27 -3.20 116.57 115.12 1okd h LYS 99 Ca -0.06 -0.42 -0.08 0.00 -2.00 0.00 0.00 60.65 58.10 1okd h LYS 99 Cb 0.54 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 1okd h LYS 99 CO 0.09 1.16 -0.38 1.25 -2.00 0.00 0.00 179.45 179.57 1okd h LEU 100 N 0.07 0.00 -0.03 7.07 5.85 0.27 -2.42 115.31 126.12 1okd h LEU 100 Ca -0.16 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1okd h LEU 100 Cb 1.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1okd h LEU 100 CO 0.19 0.38 -0.06 0.77 -0.34 0.00 0.00 178.44 179.38 1okd h SER 101 N 0.00 0.11 0.02 1.25 4.64 -1.24 -3.17 113.55 115.14 1okd h SER 101 Ca -0.00 -0.57 -0.03 0.00 -0.47 0.00 0.00 61.79 60.72 1okd h SER 101 Cb 0.78 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1okd h SER 101 CO 0.05 0.65 -0.07 0.50 -0.87 0.00 0.00 176.83 177.09 1okd h LYS 102 N -0.44 0.14 -0.03 4.77 3.64 -1.54 -1.88 116.57 121.23 1okd h LYS 102 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1okd h LYS 102 Cb 0.64 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1okd h LYS 102 CO 0.01 0.23 0.03 1.25 -2.27 0.00 0.00 179.45 178.69 1okd h HIS 103 N 0.14 0.00 -0.39 1.91 2.76 -1.41 0.66 115.15 118.82 1okd h HIS 103 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1okd h HIS 103 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1okd h HIS 103 CO 0.00 0.00 0.00 1.19 -1.30 0.00 0.00 177.93 177.82 1okd n PHE 104 N -4.45 0.59 -3.09 5.26 3.72 -0.71 -4.90 117.46 113.86 1okd n PHE 104 Ca -0.02 -0.28 -0.21 0.00 -0.05 0.00 0.00 57.45 56.89 1okd n PHE 104 Cb 0.12 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1okd n PHE 104 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1okd n ASN 105 N 0.64 -4.35 -4.58 4.37 2.85 0.22 -4.82 115.26 109.60 1okd n ASN 105 Ca 0.14 -0.25 -0.43 0.00 -0.11 0.00 0.00 54.58 53.92 1okd n ASN 105 Cb 0.37 -3.59 -0.04 0.00 1.24 0.00 0.00 39.78 37.77 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1okd n VAL 106 N -3.97 0.29 0.17 3.44 0.31 -1.22 -4.86 118.33 112.50 1okd n VAL 106 Ca -0.07 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.66 1okd n VAL 106 Cb 0.58 -2.48 -0.07 0.00 -0.91 0.00 0.00 33.84 30.96 1okd n VAL 106 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1okd h GLU 107 N 15.14 -0.47 -1.70 5.55 5.08 -1.94 -3.47 114.58 132.77 1okd h GLU 107 Ca -0.38 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1okd h GLU 107 Cb 1.25 0.11 -0.22 0.00 0.50 0.00 0.00 28.75 30.39 1okd h GLU 107 CO 0.98 -0.31 0.45 -1.12 -1.00 0.00 0.00 179.01 178.01 1okd s SER 108 N -4.78 -0.44 0.53 1.42 0.01 -1.26 -5.17 113.70 104.01 1okd s SER 108 Ca -0.16 0.46 -0.11 0.00 1.31 0.00 0.00 55.95 57.46 1okd s SER 108 Cb 0.06 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.60 1okd s SER 108 CO 0.64 -0.42 0.93 0.27 0.41 0.00 0.00 173.24 175.08 1okd s ILE 109 N -1.22 4.72 0.69 1.44 -5.25 -1.26 -4.47 121.20 115.84 1okd s ILE 109 Ca -0.04 0.79 -0.11 0.00 -0.99 0.00 0.00 60.65 60.30 1okd s ILE 109 Cb -0.00 -3.81 0.00 0.00 2.95 0.00 0.00 42.46 41.60 1okd s ILE 109 CO 0.03 -0.88 1.07 -2.84 -1.79 0.00 0.00 174.94 170.53 1okd s PRO 110 N -4.62 3.04 0.37 0.37 0.02 -1.26 -4.86 135.00 128.06 1okd s PRO 110 Ca 0.54 0.62 -0.05 0.00 0.02 0.00 0.00 61.00 62.12 1okd s PRO 110 Cb -0.10 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1okd s PRO 110 CO 0.43 -0.94 0.58 -2.37 -0.33 0.00 0.00 177.00 174.37 1okd n THR 111 N -2.97 0.00 -3.68 0.99 5.66 -0.04 -4.97 114.28 109.27 1okd n THR 111 Ca 0.07 -1.61 -0.13 0.00 -3.05 0.00 0.00 64.05 59.33 1okd n THR 111 Cb 0.56 1.09 -0.13 0.00 -1.55 0.00 0.00 70.33 70.30 1okd n THR 111 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1okd s LEU 112 N 0.00 -0.14 0.13 1.09 1.98 -1.26 -2.40 118.68 118.08 1okd s LEU 112 Ca 0.26 0.62 0.09 0.00 -2.89 0.00 0.00 54.13 52.22 1okd s LEU 112 Cb -0.02 0.79 -0.04 0.00 0.66 0.00 0.00 46.19 47.58 1okd s LEU 112 CO 0.19 -0.22 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.57 1okd s ILE 113 N 2.10 1.97 -0.02 6.68 -1.09 -0.20 -2.70 121.20 127.93 1okd s ILE 113 Ca -0.02 -1.73 0.01 0.00 -2.23 0.00 0.00 60.65 56.67 1okd s ILE 113 Cb -0.11 -1.80 0.02 0.00 -1.58 0.00 0.00 42.46 38.98 1okd s ILE 113 CO -0.09 -0.07 -0.01 -0.83 -1.23 0.00 0.00 174.94 172.71 1okd s GLY 114 N -2.18 0.19 0.17 6.18 0.00 -0.12 0.12 107.32 111.68 1okd s GLY 114 Ca 0.12 0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1okd s GLY 114 CO 0.06 0.37 -0.03 -1.34 0.00 0.00 0.00 173.10 172.16 1okd s VAL 115 N 0.66 0.90 -0.33 1.40 -7.23 -0.89 -0.31 120.40 114.59 1okd s VAL 115 Ca -0.06 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 1okd s VAL 115 Cb -0.09 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1okd s VAL 115 CO -0.01 -0.54 0.20 -1.81 -0.31 0.00 0.00 175.10 172.63 1okd s ASP 116 N -3.20 5.82 0.16 4.85 1.01 -1.20 -2.50 116.67 121.62 1okd s ASP 116 Ca 0.22 -0.51 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 1okd s ASP 116 Cb 0.05 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.91 1okd s ASP 116 CO 0.04 -0.23 1.39 0.00 0.21 0.00 0.00 175.17 176.57 1okd h ALA 117 N 8.43 0.52 0.46 5.23 0.00 -1.86 0.43 119.26 132.47 1okd h ALA 117 Ca -0.31 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 1okd h ALA 117 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1okd h ALA 117 CO 0.63 0.81 -0.35 0.22 0.00 0.00 0.00 179.25 180.56 1okd h ASP 118 N 0.23 -0.92 0.09 0.00 3.58 -1.85 -3.35 116.42 114.19 1okd h ASP 118 Ca -0.05 0.06 -0.29 0.00 0.42 0.00 0.00 57.03 57.17 1okd h ASP 118 Cb 1.42 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 42.74 1okd h ASP 118 CO 0.14 -0.50 -1.57 0.77 -2.88 0.00 0.00 179.24 175.20 1okd h SER 119 N -0.78 0.30 -3.27 2.28 4.64 -1.97 -3.45 113.55 111.30 1okd h SER 119 Ca -0.06 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 1okd h SER 119 Cb 0.65 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1okd h SER 119 CO 0.02 1.67 0.00 0.61 -0.87 0.00 0.00 176.83 178.26 1okd n GLY 120 N 1.75 -0.31 1.42 -0.77 0.00 0.15 -4.53 105.19 102.90 1okd n GLY 120 Ca -0.29 -2.22 0.17 0.00 0.00 0.00 0.00 46.02 43.68 1okd n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1okd n ASP 121 N 0.00 -7.86 -4.78 1.61 8.00 -1.26 -4.25 116.55 108.00 1okd n ASP 121 Ca 0.00 1.26 -0.36 0.00 0.71 0.00 0.00 54.79 56.40 1okd n ASP 121 Cb 0.00 -4.78 -0.02 0.00 -0.02 0.00 0.00 41.12 36.30 1okd n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1okd s VAL 122 N -3.98 3.44 -0.06 2.53 1.01 -1.26 -3.22 120.40 118.85 1okd s VAL 122 Ca 0.00 1.00 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1okd s VAL 122 Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1okd s VAL 122 CO 0.00 -0.09 -0.05 0.52 0.00 0.00 0.00 175.10 175.48 1okd n VAL 123 N -0.68 0.38 -3.62 2.92 0.31 -0.69 -4.83 118.33 112.11 1okd n VAL 123 Ca 0.08 -0.16 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 1okd n VAL 123 Cb 0.50 -0.75 -0.07 0.00 -0.91 0.00 0.00 33.84 32.61 1okd n VAL 123 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1okd s THR 124 N -2.13 0.02 0.03 2.52 -1.32 0.57 -3.40 115.64 111.92 1okd s THR 124 Ca -0.08 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1okd s THR 124 Cb 0.02 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1okd s THR 124 CO 0.16 -0.08 0.00 0.35 -2.21 0.00 0.00 174.62 172.84 1okd n THR 125 N 1.30 0.22 -0.69 5.08 -2.24 -1.26 -0.95 114.28 115.74 1okd n THR 125 Ca -0.19 0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 1okd n THR 125 Cb 0.57 -1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.39 1okd n THR 125 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1okd n ARG 126 N -3.03 1.37 0.26 -0.78 1.85 -1.26 -4.25 116.66 110.81 1okd n ARG 126 Ca 0.00 -0.48 0.13 0.00 -1.00 0.00 0.00 57.85 56.50 1okd n ARG 126 Cb 0.32 -1.54 0.65 0.00 -1.05 0.00 0.00 32.46 30.84 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1okd h ALA 127 N 2.42 1.10 -0.99 2.89 0.00 -1.82 -2.82 119.26 120.04 1okd h ALA 127 Ca 0.09 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1okd h ALA 127 Cb 1.14 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1okd h ALA 127 CO 0.14 0.16 0.63 0.07 0.00 0.00 0.00 179.25 180.25 1okd h ARG 128 N 0.00 0.97 0.00 0.00 -0.00 -1.76 0.82 114.38 114.41 1okd h ARG 128 Ca -0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.98 59.90 1okd h ARG 128 Cb 0.51 -0.22 -0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1okd h ARG 128 CO 0.02 0.64 -0.32 0.00 -0.00 0.00 0.00 179.97 180.30 1okd h ALA 129 N 1.53 0.03 -0.51 0.08 0.00 -1.88 -3.37 119.26 115.13 1okd h ALA 129 Ca 0.48 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1okd h ALA 129 Cb 0.45 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1okd h ALA 129 CO -0.24 0.27 0.03 1.79 0.00 0.00 0.00 179.25 181.10 1okd h THR 130 N -1.00 0.63 -0.85 0.00 1.35 -1.49 0.65 112.91 112.20 1okd h THR 130 Ca -0.03 -0.05 0.20 0.00 -0.55 0.00 0.00 66.41 65.97 1okd h THR 130 Cb 0.42 0.46 -0.06 0.00 -1.73 0.00 0.00 68.15 67.25 1okd h THR 130 CO -0.02 0.03 0.57 0.25 -0.25 0.00 0.00 175.52 176.10 1okd h LEU 131 N 0.15 0.31 0.12 3.87 6.46 -1.04 1.13 115.31 126.31 1okd h LEU 131 Ca 0.26 0.03 -0.35 0.00 -0.12 0.00 0.00 57.88 57.70 1okd h LEU 131 Cb 0.39 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1okd h LEU 131 CO -0.40 0.13 -1.93 0.58 -0.62 0.00 0.00 178.44 176.20 1okd h VAL 132 N 0.31 0.69 -0.55 1.05 2.07 -1.19 -3.37 116.25 115.26 1okd h VAL 132 Ca 0.43 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.54 1okd h VAL 132 Cb 1.19 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1okd h VAL 132 CO -0.13 0.85 0.00 0.29 0.02 0.00 0.00 177.57 178.60 1okd n LYS 133 N -3.44 4.43 -3.40 1.57 5.02 0.21 -4.58 118.16 117.97 1okd n LYS 133 Ca -0.29 -2.88 -0.26 0.00 -2.02 0.00 0.00 58.31 52.86 1okd n LYS 133 Cb 1.05 -2.15 -0.08 0.00 -0.02 0.00 0.00 35.03 33.83 1okd n LYS 133 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1okd n ASP 134 N 0.67 2.14 -0.24 4.39 9.92 0.38 -4.90 116.55 128.91 1okd n ASP 134 Ca 0.25 -3.08 0.01 0.00 -0.53 0.00 0.00 54.79 51.44 1okd n ASP 134 Cb 1.08 -0.66 0.03 0.00 -0.64 0.00 0.00 41.12 40.92 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1okd n PRO 135 N 1.33 1.18 -0.04 -0.24 -0.04 -1.26 -3.26 135.00 132.66 1okd n PRO 135 Ca 0.26 -0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1okd n PRO 135 Cb 0.45 -1.19 -0.14 0.00 -0.04 0.00 0.00 33.50 32.58 1okd n PRO 135 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1okd n GLU 136 N -0.23 0.84 -2.04 0.54 0.28 -1.26 -4.97 120.64 113.80 1okd n GLU 136 Ca 0.02 -0.10 -0.12 0.00 -0.16 0.00 0.00 57.16 56.80 1okd n GLU 136 Cb 0.12 -1.45 -0.02 0.00 1.43 0.00 0.00 31.44 31.53 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1okd n GLY 137 N 1.66 0.09 0.11 -1.84 0.00 -1.20 -4.79 105.19 99.22 1okd n GLY 137 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 1okd n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1okd h GLU 138 N 0.00 0.00 -0.15 1.61 5.08 -1.93 -3.34 114.58 115.84 1okd h GLU 138 Ca -0.27 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 1okd h GLU 138 Cb 1.05 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.09 1okd h GLU 138 CO 0.34 0.49 -0.76 1.04 -1.00 0.00 0.00 179.01 179.13 1okd n GLN 139 N -3.11 1.46 -0.26 2.33 6.02 -1.26 -4.92 117.38 117.64 1okd n GLN 139 Ca -0.04 -3.09 0.19 0.00 -0.01 0.00 0.00 57.00 54.05 1okd n GLN 139 Cb 0.82 -1.26 0.35 0.00 1.02 0.00 0.00 30.24 31.17 1okd n GLN 139 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1okd n PHE 140 N -0.55 0.72 0.46 1.08 -1.74 -1.26 0.34 117.46 116.52 1okd n PHE 140 Ca 0.18 0.93 0.02 0.00 -0.56 0.00 0.00 57.45 58.02 1okd n PHE 140 Cb 0.87 -1.22 0.13 0.00 1.52 0.00 0.00 39.48 40.78 1okd n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1okd n PRO 141 N -4.91 0.23 -0.91 3.97 -0.04 -1.26 -4.82 135.00 127.26 1okd n PRO 141 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1okd n PRO 141 Cb 0.82 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 1okd n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1okd n TRP 142 N -0.79 0.00 -0.91 0.54 8.01 1.05 -4.12 117.44 121.22 1okd n TRP 142 Ca 0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.86 1okd n TRP 142 Cb 0.02 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.39 1okd n TRP 142 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 1okd n LYS 143 N -0.19 -0.34 -1.78 -0.99 2.85 -1.22 -4.36 118.16 112.13 1okd n LYS 143 Ca 0.00 -0.09 -0.42 0.00 -1.05 0.00 0.00 58.31 56.75 1okd n LYS 143 Cb 0.00 -1.23 -0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1okd n LYS 143 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1okd s ASP 144 N -1.27 6.48 -0.06 -5.58 1.11 -1.25 -4.90 116.67 111.20 1okd s ASP 144 Ca 0.43 2.68 -0.07 0.00 0.18 0.00 0.00 52.55 55.77 1okd s ASP 144 Cb -0.05 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 1okd s ASP 144 CO 0.71 -0.97 -0.14 0.00 1.18 0.00 0.00 175.17 175.95 1okd n ALA 145 N 5.68 1.00 -2.28 5.23 0.00 -1.26 -4.80 120.51 124.07 1okd n ALA 145 Ca 0.17 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 1okd n ALA 145 Cb 0.39 0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 1okd n ALA 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1okd n PRO 146 N -3.37 2.99 -3.66 0.00 -0.04 -1.26 -4.96 135.00 124.70 1okd n PRO 146 Ca -0.05 -3.02 -0.37 0.00 -0.04 0.00 0.00 63.50 60.02 1okd n PRO 146 Cb 0.20 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.16 1okd n PRO 146 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1okd s LEU 147 N 3.92 4.43 0.13 1.53 2.34 -1.26 -4.98 118.68 124.79 1okd s LEU 147 Ca 0.53 0.75 0.26 0.00 0.06 0.00 0.00 54.13 55.74 1okd s LEU 147 Cb 0.07 -2.43 0.82 0.00 -0.56 0.00 0.00 46.19 44.09 1okd s LEU 147 CO 0.04 0.34 1.72 -1.84 -1.06 0.00 0.00 176.35 175.55 1okd n GLU 148 N 1.77 0.19 0.00 1.48 0.00 -1.26 -5.26 120.64 117.55 1okd n GLU 148 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1okd n GLU 148 Cb 0.53 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1okd n GLU 148 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85