#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 0.33 0.28 0.46 0.00 -1.81 -3.23 103.07 99.10 1okd h GLY 3 Ca 0.00 -0.78 0.20 0.00 0.00 0.00 0.00 47.33 46.75 1okd h GLY 3 CO 0.00 0.68 0.67 1.41 0.00 0.00 0.00 176.54 179.30 1okd h LEU 4 N 0.10 0.00 -1.81 3.11 3.38 -1.21 0.34 115.31 119.22 1okd h LEU 4 Ca -0.12 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1okd h LEU 4 Cb 1.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 1okd h LEU 4 CO 0.19 0.00 0.34 -0.78 0.09 0.00 0.00 178.44 178.29 1okd h ASP 5 N 0.00 0.19 0.62 -0.43 1.82 -1.85 0.29 116.42 117.05 1okd h ASP 5 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1okd h ASP 5 Cb 1.65 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1okd h ASP 5 CO -0.00 0.11 -0.07 2.29 -1.61 0.00 0.00 179.24 179.96 1okd n LYS 6 N -4.45 0.35 -0.08 0.28 2.85 0.12 -3.44 118.16 113.79 1okd n LYS 6 Ca 0.08 -0.06 -0.12 0.00 -1.05 0.00 0.00 58.31 57.17 1okd n LYS 6 Cb 0.42 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.24 1okd n LYS 6 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1okd h TYR 7 N 0.14 0.00 0.00 5.58 -1.99 -0.52 -3.50 116.97 116.68 1okd h TYR 7 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1okd h TYR 7 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1okd h TYR 7 CO 0.00 0.69 0.00 -0.11 -0.00 0.00 0.00 178.16 178.74 1okd n LEU 8 N -4.56 0.00 -0.02 3.88 -0.00 -1.08 -4.88 117.00 110.34 1okd n LEU 8 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1okd n LEU 8 Cb 0.42 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1okd n LEU 8 CO 0.15 -0.06 0.10 -2.65 -0.00 0.00 0.00 177.39 174.93 1okd n PRO 9 N -1.46 0.19 -1.91 1.96 -0.02 -1.25 -1.99 135.00 130.52 1okd n PRO 9 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1okd n PRO 9 Cb 0.00 -1.00 0.03 0.00 -0.02 0.00 0.00 33.50 32.50 1okd n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1okd n GLY 10 N -0.28 1.24 3.38 -1.23 0.00 -1.22 -4.82 105.19 102.25 1okd n GLY 10 Ca 0.00 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.11 4.82 0.00 -0.61 1.01 -0.84 -4.73 121.20 119.74 1okd s ILE 11 Ca 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1okd s ILE 11 Cb 0.33 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1okd s ILE 11 CO -0.11 -1.12 0.00 -0.62 0.00 0.00 0.00 174.94 173.10 1okd n GLU 12 N 6.33 0.00 -4.03 2.79 -0.58 -1.26 -4.51 120.64 119.38 1okd n GLU 12 Ca -0.09 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.55 1okd n GLU 12 Cb 0.42 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.22 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 0.00 1.14 0.34 3.49 3.01 -1.26 -4.29 119.74 122.17 1okd s LYS 13 Ca 0.00 -1.29 0.08 0.00 -1.01 0.00 0.00 55.97 53.75 1okd s LYS 13 Cb 0.00 0.34 -0.04 0.00 -1.01 0.00 0.00 37.83 37.13 1okd s LYS 13 CO 0.00 -0.40 0.19 -0.51 0.51 0.00 0.00 175.35 175.14 1okd s LEU 14 N -3.01 3.35 0.00 3.17 1.43 -1.05 -4.76 118.68 117.81 1okd s LEU 14 Ca 0.22 -0.70 0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1okd s LEU 14 Cb 0.04 -1.87 1.85 0.00 0.03 0.00 0.00 46.19 46.25 1okd s LEU 14 CO 0.02 -0.33 2.19 0.54 0.23 0.00 0.00 176.35 179.01 1okd n ARG 15 N -1.22 1.03 0.00 1.70 1.74 0.22 -1.82 116.66 118.31 1okd n ARG 15 Ca -0.03 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1okd n ARG 15 Cb 0.61 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1okd n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1okd n ARG 16 N -0.94 0.00 0.00 5.56 0.63 -1.20 -4.20 116.66 116.50 1okd n ARG 16 Ca 0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1okd n ARG 16 Cb 0.12 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.03 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1okd n GLY 17 N 0.00 3.59 0.51 5.14 0.00 -1.26 -4.04 105.19 109.12 1okd n GLY 17 Ca 0.00 -0.48 0.33 0.00 0.00 0.00 0.00 46.02 45.87 1okd n GLY 17 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1okd h ASP 18 N 0.00 0.00 -1.17 1.61 3.58 -1.91 -3.43 116.42 115.09 1okd h ASP 18 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1okd h ASP 18 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1okd h ASP 18 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1okd n GLY 19 N -1.74 3.70 3.93 -0.78 0.00 -1.26 -5.17 105.19 103.87 1okd n GLY 19 Ca 0.23 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.10 3.50 0.08 1.61 -1.05 -1.26 -3.27 118.70 117.21 1okd s GLU 20 Ca 0.00 -0.40 -0.01 0.00 -0.15 0.00 0.00 54.97 54.41 1okd s GLU 20 Cb 0.00 -2.83 -0.04 0.00 -0.44 0.00 0.00 34.13 30.82 1okd s GLU 20 CO 0.00 0.38 -0.01 0.08 0.95 0.00 0.00 175.26 176.66 1okd s VAL 21 N -1.93 0.24 0.54 1.83 1.01 -0.75 -4.89 120.40 116.45 1okd s VAL 21 Ca 0.38 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.30 1okd s VAL 21 Cb -0.11 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1okd s VAL 21 CO 0.30 -0.82 1.21 -1.61 0.00 0.00 0.00 175.10 174.18 1okd s GLU 22 N -3.95 3.27 0.29 2.72 2.02 -1.26 -2.52 118.70 119.27 1okd s GLU 22 Ca 0.13 1.85 0.15 0.00 0.02 0.00 0.00 54.97 57.12 1okd s GLU 22 Cb 0.08 -2.12 0.28 0.00 0.10 0.00 0.00 34.13 32.46 1okd s GLU 22 CO -0.06 -0.98 1.54 0.28 0.02 0.00 0.00 175.26 176.07 1okd h VAL 23 N 1.29 1.08 -0.65 2.63 2.07 -1.95 -3.24 116.25 117.47 1okd h VAL 23 Ca -0.50 -2.15 0.19 0.00 0.82 0.00 0.00 66.70 65.05 1okd h VAL 23 Cb 1.28 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 1okd h VAL 23 CO 0.57 0.54 0.63 0.11 0.02 0.00 0.00 177.57 179.44 1okd h LYS 24 N 0.00 0.00 0.00 1.57 6.56 -1.92 0.37 116.57 123.15 1okd h LYS 24 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1okd h LYS 24 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1okd h LYS 24 CO 0.07 0.00 0.00 1.03 -2.06 0.00 0.00 179.45 178.49 1okd h SER 25 N 0.00 0.00 -1.78 0.86 0.87 -1.97 -2.12 113.55 109.42 1okd h SER 25 Ca 0.31 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 60.25 1okd h SER 25 Cb 1.56 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 63.12 1okd h SER 25 CO -0.00 0.00 -0.47 0.18 -0.53 0.00 0.00 176.83 176.00 1okd n LEU 26 N -2.29 5.03 -4.21 2.23 4.77 0.13 -4.96 117.00 117.69 1okd n LEU 26 Ca -0.01 -5.30 -0.42 0.00 -0.03 0.00 0.00 56.01 50.25 1okd n LEU 26 Cb 0.04 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 1okd n LEU 26 CO 0.10 2.22 0.22 0.00 -1.33 0.00 0.00 177.39 178.60 1okd s ALA 27 N -3.61 3.81 0.00 -1.18 0.00 -0.80 -4.54 121.76 115.44 1okd s ALA 27 Ca 0.48 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 49.21 1okd s ALA 27 Cb 0.37 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1okd s ALA 27 CO -0.20 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 173.80 1okd n GLY 28 N 3.83 0.75 3.58 0.00 0.00 -1.26 -5.00 105.19 107.09 1okd n GLY 28 Ca 0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1okd n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1okd s LYS 29 N -1.08 1.93 -0.84 1.61 -2.85 -1.26 -4.96 119.74 112.29 1okd s LYS 29 Ca 0.00 -1.61 -0.16 0.00 -1.00 0.00 0.00 55.97 53.20 1okd s LYS 29 Cb 0.00 0.49 0.18 0.00 -2.06 0.00 0.00 37.83 36.44 1okd s LYS 29 CO 0.00 -0.83 0.87 -1.17 0.10 0.00 0.00 175.35 174.32 1okd s LEU 30 N -3.17 6.11 -0.18 2.77 2.96 -1.26 -3.09 118.68 122.83 1okd s LEU 30 Ca 0.26 -2.38 -0.24 0.00 -0.22 0.00 0.00 54.13 51.55 1okd s LEU 30 Cb -0.02 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1okd s LEU 30 CO 0.17 -0.77 0.77 -0.69 -1.32 0.00 0.00 176.35 174.50 1okd s VAL 31 N 1.17 4.92 0.34 1.68 1.01 -0.11 -3.15 120.40 126.27 1okd s VAL 31 Ca 0.22 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1okd s VAL 31 Cb -0.10 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1okd s VAL 31 CO -0.08 0.05 0.51 -0.36 0.00 0.00 0.00 175.10 175.23 1okd s PHE 32 N 2.07 3.35 -0.24 5.22 0.08 0.13 -0.80 117.98 127.78 1okd s PHE 32 Ca 0.35 0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.50 1okd s PHE 32 Cb -0.16 -1.92 0.12 0.00 -0.57 0.00 0.00 43.02 40.48 1okd s PHE 32 CO 0.12 0.07 0.27 -0.06 -0.10 0.00 0.00 175.22 175.52 1okd s PHE 33 N -2.26 -0.43 -0.17 0.36 0.40 2.53 -0.17 117.98 118.25 1okd s PHE 33 Ca 0.41 0.17 -0.13 0.00 -0.60 0.00 0.00 56.93 56.78 1okd s PHE 33 Cb -0.10 -0.34 -0.05 0.00 0.51 0.00 0.00 43.02 43.05 1okd s PHE 33 CO 0.34 -0.74 0.25 1.52 0.70 0.00 0.00 175.22 177.28 1okd s TYR 34 N 2.37 3.45 -0.24 0.36 -0.85 1.67 -1.05 117.35 123.06 1okd s TYR 34 Ca 0.09 0.53 -0.10 0.00 -0.52 0.00 0.00 57.07 57.07 1okd s TYR 34 Cb -0.15 -2.28 -0.05 0.00 0.38 0.00 0.00 41.96 39.86 1okd s TYR 34 CO -0.21 0.27 0.14 -0.06 -1.52 0.00 0.00 175.55 174.17 1okd s PHE 35 N 0.39 3.27 -0.02 -3.49 0.08 -1.04 -0.78 117.98 116.38 1okd s PHE 35 Ca 0.14 0.12 -0.30 0.00 0.12 0.00 0.00 56.93 57.01 1okd s PHE 35 Cb -0.12 -2.26 0.12 0.00 -0.57 0.00 0.00 43.02 40.18 1okd s PHE 35 CO 0.02 -0.01 1.25 -1.54 -0.10 0.00 0.00 175.22 174.84 1okd s SER 36 N 1.15 -0.08 0.20 1.36 1.04 -0.29 -1.35 113.70 115.73 1okd s SER 36 Ca 0.07 -0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.43 1okd s SER 36 Cb -0.14 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1okd s SER 36 CO 0.05 -0.35 -0.16 0.00 0.98 0.00 0.00 173.24 173.76 1okd s ALA 37 N -2.51 2.03 0.14 5.32 0.00 -1.26 0.37 121.76 125.84 1okd s ALA 37 Ca 0.13 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.39 1okd s ALA 37 Cb 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1okd s ALA 37 CO -0.03 0.12 1.38 0.77 0.00 0.00 0.00 175.76 178.00 1okd h SER 38 N 2.76 0.82 0.34 0.00 0.02 -1.91 -3.03 113.55 112.53 1okd h SER 38 Ca -0.39 -0.50 -0.08 0.00 -0.84 0.00 0.00 61.79 59.98 1okd h SER 38 Cb 1.22 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1okd h SER 38 CO 0.59 1.28 -0.35 4.11 -1.14 0.00 0.00 176.83 181.31 1okd h TRP 39 N 0.51 0.02 -1.35 3.45 5.08 -1.96 -3.42 115.95 118.27 1okd h TRP 39 Ca -0.02 -0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.33 1okd h TRP 39 Cb 1.29 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.43 1okd h TRP 39 CO 0.07 0.37 1.50 0.00 -1.28 0.00 0.00 178.44 179.09 1okd h PRO 41 N 14.23 0.17 0.00 0.00 0.11 -1.88 -1.35 132.00 143.29 1okd h PRO 41 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1okd h PRO 41 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1okd h PRO 41 CO 1.05 0.11 0.00 -0.35 -0.21 0.00 0.00 178.00 178.60 1okd n PRO 42 N -5.14 0.74 -1.04 1.05 -0.04 -1.26 -3.26 135.00 126.05 1okd n PRO 42 Ca 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 1okd n PRO 42 Cb 0.21 -1.10 0.21 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.97 1.58 0.00 0.00 -4.01 -1.20 -4.33 116.66 107.73 1okd n ARG 44 Ca 0.47 -0.03 0.13 0.00 -1.04 0.00 0.00 57.85 57.39 1okd n ARG 44 Cb 1.41 -1.12 0.43 0.00 -3.04 0.00 0.00 32.46 30.14 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1okd n GLY 45 N 2.45 -0.34 0.00 2.89 0.00 -1.26 -3.92 105.19 105.01 1okd n GLY 45 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.28 0.00 -0.02 1.61 7.35 -1.26 -4.76 117.46 120.09 1okd n PHE 46 Ca 0.15 -0.31 -0.16 0.00 -0.76 0.00 0.00 57.45 56.37 1okd n PHE 46 Cb 0.36 -0.03 -0.13 0.00 0.35 0.00 0.00 39.48 40.03 1okd n PHE 46 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1okd h THR 47 N 0.79 1.62 -0.18 -2.13 2.02 -1.76 -3.31 112.91 109.96 1okd h THR 47 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1okd h THR 47 Cb 0.58 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1okd h THR 47 CO 0.00 0.61 0.00 -0.81 0.37 0.00 0.00 175.52 175.69 1okd n PRO 48 N -4.43 1.54 0.08 6.66 -0.04 -1.26 -3.89 135.00 133.66 1okd n PRO 48 Ca -0.11 -0.71 -0.20 0.00 -0.04 0.00 0.00 63.50 62.44 1okd n PRO 48 Cb 0.59 -1.24 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 1okd n PRO 48 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1okd h GLN 49 N 1.11 0.57 -0.02 0.54 7.50 -1.86 -3.20 115.11 119.74 1okd h GLN 49 Ca 0.00 -0.72 -0.01 0.00 0.50 0.00 0.00 58.65 58.42 1okd h GLN 49 Cb 0.36 0.23 -0.00 0.00 0.05 0.00 0.00 27.48 28.12 1okd h GLN 49 CO 0.02 1.31 -0.01 1.25 -1.50 0.00 0.00 178.83 179.90 1okd h LEU 50 N 0.27 0.04 -1.29 1.46 7.12 -1.78 -2.71 115.31 118.42 1okd h LEU 50 Ca -0.16 -0.46 0.20 0.00 0.13 0.00 0.00 57.88 57.59 1okd h LEU 50 Cb 1.84 -0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 41.87 1okd h LEU 50 CO 0.22 0.49 0.61 0.40 -0.13 0.00 0.00 178.44 180.03 1okd h ILE 51 N -0.41 0.70 0.06 4.05 1.08 -1.77 1.06 117.51 122.27 1okd h ILE 51 Ca 0.00 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1okd h ILE 51 Cb 0.48 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1okd h ILE 51 CO 0.00 0.10 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.21 1okd h GLU 52 N 0.57 -0.07 0.00 2.37 3.07 -1.54 0.57 114.58 119.55 1okd h GLU 52 Ca 0.52 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.31 1okd h GLU 52 Cb 1.05 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1okd h GLU 52 CO -0.26 0.37 -0.34 0.35 -1.40 0.00 0.00 179.01 177.73 1okd h PHE 53 N -0.54 0.00 0.00 4.33 3.57 -0.96 -2.46 116.94 120.88 1okd h PHE 53 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1okd h PHE 53 Cb 0.48 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1okd h PHE 53 CO 0.08 0.34 -0.13 -0.92 -2.23 0.00 0.00 178.31 175.44 1okd h TYR 54 N 0.00 0.00 -0.27 0.41 3.20 0.12 -2.69 116.97 117.74 1okd h TYR 54 Ca -0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.94 1okd h TYR 54 Cb 0.67 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1okd h TYR 54 CO 0.00 0.57 0.27 0.22 -1.64 0.00 0.00 178.16 177.58 1okd h ASP 55 N -1.00 0.00 0.49 -2.11 3.58 0.11 2.43 116.42 119.92 1okd h ASP 55 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1okd h ASP 55 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1okd h ASP 55 CO -0.02 0.00 -1.23 0.29 -2.88 0.00 0.00 179.24 175.41 1okd n LYS 56 N -3.87 0.45 0.00 0.28 4.76 -0.93 -4.53 118.16 114.32 1okd n LYS 56 Ca 0.04 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1okd n LYS 56 Cb 0.41 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1okd n LYS 56 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1okd n PHE 57 N -2.21 0.00 0.13 2.13 3.01 -0.46 -4.83 117.46 115.23 1okd n PHE 57 Ca 0.00 -0.02 0.12 0.00 1.01 0.00 0.00 57.45 58.56 1okd n PHE 57 Cb 0.49 -0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.60 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1okd h HIS 58 N 0.00 0.06 0.00 1.38 2.07 0.39 -0.64 115.15 118.41 1okd h HIS 58 Ca 0.00 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.31 1okd h HIS 58 Cb 0.57 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.50 1okd h HIS 58 CO 0.00 0.03 -0.99 0.93 -3.07 0.00 0.00 177.93 174.83 1okd h GLU 59 N 0.06 0.00 0.00 5.12 5.08 -1.88 -2.13 114.58 120.83 1okd h GLU 59 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1okd h GLU 59 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1okd h GLU 59 CO -0.01 0.98 0.00 0.43 -1.00 0.00 0.00 179.01 179.41 1okd n SER 60 N -3.34 0.00 0.05 1.42 7.64 -0.30 -4.16 113.62 114.92 1okd n SER 60 Ca -0.00 0.40 0.11 0.00 1.01 0.00 0.00 58.87 60.39 1okd n SER 60 Cb 0.93 -0.22 0.46 0.00 -1.01 0.00 0.00 64.21 64.38 1okd n SER 60 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1okd n LYS 61 N -1.15 0.09 -3.18 1.43 2.85 -0.88 -4.97 118.16 112.35 1okd n LYS 61 Ca 0.00 0.20 -0.23 0.00 -1.05 0.00 0.00 58.31 57.22 1okd n LYS 61 Cb 0.00 -1.63 0.02 0.00 -0.65 0.00 0.00 35.03 32.77 1okd n LYS 61 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1okd n ASN 62 N -1.79 -6.71 -4.36 -5.58 5.15 -0.80 -4.83 115.26 96.34 1okd n ASN 62 Ca 0.05 0.20 -0.19 0.00 -0.60 0.00 0.00 54.58 54.04 1okd n ASN 62 Cb 0.29 -3.46 -0.10 0.00 -0.53 0.00 0.00 39.78 35.98 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1okd s PHE 63 N -1.99 1.74 -0.03 1.20 -0.71 -1.25 -4.29 117.98 112.66 1okd s PHE 63 Ca 0.31 -1.09 -0.01 0.00 -1.04 0.00 0.00 56.93 55.10 1okd s PHE 63 Cb -0.05 -1.08 0.03 0.00 -1.21 0.00 0.00 43.02 40.70 1okd s PHE 63 CO 0.81 -0.18 0.05 -2.00 -1.34 0.00 0.00 175.22 172.55 1okd s GLU 64 N -3.95 -0.06 -0.30 1.99 2.56 -1.19 -4.94 118.70 112.82 1okd s GLU 64 Ca 0.37 0.28 -0.10 0.00 0.00 0.00 0.00 54.97 55.51 1okd s GLU 64 Cb 0.08 -0.36 -0.02 0.00 2.00 0.00 0.00 34.13 35.82 1okd s GLU 64 CO 0.15 -0.24 0.16 0.08 -0.56 0.00 0.00 175.26 174.85 1okd s VAL 65 N 1.57 4.83 0.16 3.70 1.01 -1.26 0.20 120.40 130.61 1okd s VAL 65 Ca -0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1okd s VAL 65 Cb -0.13 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1okd s VAL 65 CO -0.03 0.14 0.55 -0.69 0.00 0.00 0.00 175.10 175.08 1okd s VAL 66 N 1.67 4.86 -0.40 2.92 1.01 0.76 -3.97 120.40 127.25 1okd s VAL 66 Ca 0.06 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 62.61 1okd s VAL 66 Cb -0.17 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1okd s VAL 66 CO 0.08 0.20 0.74 0.12 0.00 0.00 0.00 175.10 176.23 1okd s PHE 67 N -1.52 3.07 -0.45 5.22 5.36 -0.89 -2.90 117.98 125.87 1okd s PHE 67 Ca 0.39 0.30 -0.12 0.00 -0.96 0.00 0.00 56.93 56.54 1okd s PHE 67 Cb -0.14 -3.45 0.08 0.00 -0.34 0.00 0.00 43.02 39.17 1okd s PHE 67 CO 0.19 -0.82 0.33 0.00 -1.46 0.00 0.00 175.22 173.46 1okd s THR 69 N 1.52 4.27 -0.26 0.00 -1.32 -1.26 -1.14 115.64 117.46 1okd s THR 69 Ca 0.04 0.80 0.21 0.00 -1.21 0.00 0.00 61.69 61.52 1okd s THR 69 Cb -0.24 -3.58 0.48 0.00 -1.51 0.00 0.00 72.50 67.65 1okd s THR 69 CO 0.04 -0.90 1.20 0.79 -2.21 0.00 0.00 174.62 173.54 1okd n TRP 70 N -2.76 0.51 -4.33 9.09 7.02 0.16 -4.59 117.44 122.54 1okd n TRP 70 Ca 0.07 -1.95 -0.24 0.00 -1.02 0.00 0.00 57.50 54.35 1okd n TRP 70 Cb 0.54 0.15 -0.08 0.00 -2.42 0.00 0.00 31.31 29.49 1okd n TRP 70 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1okd s ASP 71 N -3.14 4.20 -0.05 -0.99 2.15 -1.26 -4.49 116.67 113.09 1okd s ASP 71 Ca 0.23 -0.95 0.22 0.00 0.43 0.00 0.00 52.55 52.47 1okd s ASP 71 Cb 0.35 -0.56 -0.33 0.00 -0.30 0.00 0.00 42.92 42.08 1okd s ASP 71 CO -0.06 -0.20 0.43 -0.62 -0.17 0.00 0.00 175.17 174.54 1okd n GLU 72 N -0.94 0.66 -3.32 4.34 4.71 -1.26 -4.93 120.64 119.91 1okd n GLU 72 Ca -0.04 -0.18 -0.38 0.00 -0.01 0.00 0.00 57.16 56.55 1okd n GLU 72 Cb 0.62 -1.52 -0.06 0.00 -1.01 0.00 0.00 31.44 29.47 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1okd s GLU 73 N -3.40 4.21 0.28 3.49 2.56 -1.26 -4.98 118.70 119.60 1okd s GLU 73 Ca -0.08 0.58 0.12 0.00 0.00 0.00 0.00 54.97 55.59 1okd s GLU 73 Cb 0.13 -3.32 0.37 0.00 2.00 0.00 0.00 34.13 33.31 1okd s GLU 73 CO 0.90 0.44 1.60 0.93 -0.56 0.00 0.00 175.26 178.57 1okd h GLU 74 N 5.50 0.00 0.00 4.30 4.39 -2.01 -3.04 114.58 123.72 1okd h GLU 74 Ca -0.46 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.17 1okd h GLU 74 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1okd h GLU 74 CO 0.68 0.59 -0.30 0.22 -1.16 0.00 0.00 179.01 179.04 1okd h ASP 75 N 0.00 0.00 0.15 1.42 3.58 -1.99 -2.97 116.42 116.61 1okd h ASP 75 Ca -0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1okd h ASP 75 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1okd h ASP 75 CO 0.08 0.30 -0.07 1.23 -2.88 0.00 0.00 179.24 177.90 1okd h GLY 76 N 2.07 -0.20 0.60 -0.78 0.00 -1.95 -1.52 103.07 101.28 1okd h GLY 76 Ca -0.00 0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.50 1okd h GLY 76 CO 0.04 -0.07 0.62 0.27 0.00 0.00 0.00 176.54 177.40 1okd h PHE 77 N -0.96 1.10 0.15 5.60 -0.00 -1.64 0.12 116.94 121.31 1okd h PHE 77 Ca -0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.97 1okd h PHE 77 Cb 0.44 -0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.04 1okd h PHE 77 CO 0.08 0.49 -0.07 0.00 -0.00 0.00 0.00 178.31 178.80 1okd h ALA 78 N 1.53 -0.20 0.00 12.09 0.00 -1.63 -2.35 119.26 128.71 1okd h ALA 78 Ca 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1okd h ALA 78 Cb 0.40 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1okd h ALA 78 CO -0.22 -0.32 0.07 0.41 0.00 0.00 0.00 179.25 179.20 1okd n GLY 79 N 0.45 -0.78 0.06 0.00 0.00 -0.57 0.12 105.19 104.46 1okd n GLY 79 Ca -0.08 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1okd n GLY 79 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1okd h TYR 80 N 0.00 0.00 0.00 1.61 5.03 -0.71 -3.35 116.97 119.54 1okd h TYR 80 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1okd h TYR 80 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1okd h TYR 80 CO 0.00 0.33 0.00 1.97 -1.32 0.00 0.00 178.16 179.14 1okd n PHE 81 N -4.72 0.56 -0.39 -3.82 -1.74 -0.79 -3.81 117.46 102.74 1okd n PHE 81 Ca -0.03 0.17 0.36 0.00 -0.56 0.00 0.00 57.45 57.39 1okd n PHE 81 Cb 0.16 -0.77 0.72 0.00 1.52 0.00 0.00 39.48 41.11 1okd n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1okd h ALA 82 N 2.68 3.07 -0.53 1.98 0.00 -0.46 0.53 119.26 126.53 1okd h ALA 82 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1okd h ALA 82 Cb 0.62 0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.31 1okd h ALA 82 CO 0.00 -1.48 -0.09 1.63 0.00 0.00 0.00 179.25 179.32 1okd n LYS 83 N -4.26 2.28 -4.18 0.00 4.76 -1.25 -4.97 118.16 110.54 1okd n LYS 83 Ca 0.29 -3.39 -0.18 0.00 -2.87 0.00 0.00 58.31 52.16 1okd n LYS 83 Cb 1.32 -1.97 -0.15 0.00 -1.84 0.00 0.00 35.03 32.39 1okd n LYS 83 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1okd s MET 84 N -3.39 0.64 0.06 1.97 -1.94 0.19 -5.05 119.30 111.78 1okd s MET 84 Ca 0.49 -0.15 0.04 0.00 -1.71 0.00 0.00 55.69 54.36 1okd s MET 84 Cb 0.42 -0.65 -0.24 0.00 2.01 0.00 0.00 34.83 36.37 1okd s MET 84 CO 0.01 0.02 1.04 -1.00 -0.01 0.00 0.00 175.02 175.08 1okd h PRO 85 N 6.63 0.11 -6.48 2.03 0.13 -1.84 -3.43 132.00 129.15 1okd h PRO 85 Ca -0.35 -0.18 -0.54 0.00 -0.87 0.00 0.00 66.00 64.06 1okd h PRO 85 Cb 1.17 0.07 0.22 0.00 0.13 0.00 0.00 31.00 32.58 1okd h PRO 85 CO 0.49 0.98 -1.00 -2.67 -0.23 0.00 0.00 178.00 175.56 1okd n TRP 86 N -3.35 -2.68 -2.95 1.56 2.14 -1.26 -4.20 117.44 106.71 1okd n TRP 86 Ca -0.08 0.17 -0.41 0.00 2.07 0.00 0.00 57.50 59.25 1okd n TRP 86 Cb 1.00 -1.68 -0.04 0.00 -0.81 0.00 0.00 31.31 29.78 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 2.29 4.29 0.22 5.67 1.43 -1.25 -4.43 118.68 126.89 1okd s LEU 87 Ca 0.52 1.26 0.10 0.00 -1.03 0.00 0.00 54.13 54.98 1okd s LEU 87 Cb -0.23 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1okd s LEU 87 CO 0.71 -0.22 -0.09 0.00 0.23 0.00 0.00 176.35 176.98 1okd s ALA 88 N 1.21 2.96 -0.02 4.21 0.00 -1.26 -2.09 121.76 126.77 1okd s ALA 88 Ca 0.40 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1okd s ALA 88 Cb -0.18 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1okd s ALA 88 CO 0.18 0.38 1.17 0.08 0.00 0.00 0.00 175.76 177.58 1okd s VAL 89 N -1.98 4.28 0.71 0.00 1.01 -1.19 0.71 120.40 123.93 1okd s VAL 89 Ca 0.27 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 63.75 1okd s VAL 89 Cb -0.08 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1okd s VAL 89 CO 0.16 0.04 1.07 -2.16 0.00 0.00 0.00 175.10 174.22 1okd s PRO 90 N 1.79 2.73 0.42 2.72 0.04 -1.26 -4.78 135.00 136.66 1okd s PRO 90 Ca 0.56 1.09 0.21 0.00 0.04 0.00 0.00 61.00 62.90 1okd s PRO 90 Cb -0.25 -1.96 1.17 0.00 0.04 0.00 0.00 34.50 33.50 1okd s PRO 90 CO 0.24 -1.27 1.78 0.35 0.04 0.00 0.00 177.00 178.14 1okd h PHE 91 N -0.68 0.56 -0.90 0.56 3.04 -1.99 0.17 116.94 117.70 1okd h PHE 91 Ca -0.44 0.02 0.16 0.00 3.98 0.00 0.00 57.97 61.68 1okd h PHE 91 Cb 1.22 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 39.50 1okd h PHE 91 CO 0.60 0.05 0.58 0.00 -2.02 0.00 0.00 178.31 177.52 1okd h ALA 92 N 1.59 1.88 -0.18 2.41 0.00 -2.02 -1.70 119.26 121.25 1okd h ALA 92 Ca 0.59 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 1okd h ALA 92 Cb 1.61 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1okd h ALA 92 CO -0.25 -0.14 -0.09 1.04 0.00 0.00 0.00 179.25 179.80 1okd n GLN 93 N -4.57 1.98 0.20 0.00 1.13 0.54 -4.65 117.38 112.01 1okd n GLN 93 Ca 0.18 -2.93 0.04 0.00 -1.94 0.00 0.00 57.00 52.35 1okd n GLN 93 Cb 0.52 -1.71 0.43 0.00 0.11 0.00 0.00 30.24 29.59 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 0.97 0.01 -0.65 1.08 4.64 -0.54 -2.32 113.55 116.73 1okd h SER 94 Ca 0.06 -0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1okd h SER 94 Cb 1.32 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 1okd h SER 94 CO 0.18 0.28 0.44 -0.08 -0.87 0.00 0.00 176.83 176.77 1okd h GLU 95 N 0.01 0.45 -0.90 4.77 4.81 -1.83 -0.01 114.58 121.89 1okd h GLU 95 Ca -0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1okd h GLU 95 Cb 0.48 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 1okd h GLU 95 CO 0.04 0.30 0.59 0.00 -0.73 0.00 0.00 179.01 179.20 1okd h ALA 96 N 1.67 1.48 -0.52 2.92 0.00 -1.78 -1.50 119.26 121.54 1okd h ALA 96 Ca 0.30 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1okd h ALA 96 Cb 0.56 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1okd h ALA 96 CO -0.09 0.41 0.35 0.28 0.00 0.00 0.00 179.25 180.19 1okd h VAL 97 N 1.06 0.97 -0.15 0.00 2.07 -1.11 1.39 116.25 120.49 1okd h VAL 97 Ca 0.37 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.63 1okd h VAL 97 Cb 0.12 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1okd h VAL 97 CO -0.13 0.08 -0.34 1.56 0.02 0.00 0.00 177.57 178.77 1okd h GLN 98 N 0.45 0.50 0.12 1.57 4.20 -1.30 -3.00 115.11 117.64 1okd h GLN 98 Ca 0.23 -0.33 -0.28 0.00 0.06 0.00 0.00 58.65 58.32 1okd h GLN 98 Cb 0.32 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1okd h GLN 98 CO -0.06 0.94 -1.33 0.87 -0.67 0.00 0.00 178.83 178.59 1okd h LYS 99 N 0.12 0.25 -0.54 1.46 1.57 -1.24 -3.32 116.57 114.88 1okd h LYS 99 Ca 0.00 -0.43 0.07 0.00 -1.87 0.00 0.00 60.65 58.43 1okd h LYS 99 Cb 0.94 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 1okd h LYS 99 CO 0.07 1.17 0.21 1.25 -0.57 0.00 0.00 179.45 181.58 1okd h LEU 100 N 0.07 0.23 -0.12 2.94 5.85 0.18 -1.82 115.31 122.64 1okd h LEU 100 Ca -0.16 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1okd h LEU 100 Cb 1.98 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 43.02 1okd h LEU 100 CO 0.19 0.15 -0.04 0.77 -0.34 0.00 0.00 178.44 179.17 1okd h SER 101 N 0.40 -0.14 -0.11 1.25 4.64 -1.63 -1.21 113.55 116.75 1okd h SER 101 Ca 0.26 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.65 1okd h SER 101 Cb 0.28 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1okd h SER 101 CO -0.25 -0.05 0.09 0.50 -0.87 0.00 0.00 176.83 176.24 1okd h LYS 102 N -0.01 0.00 0.00 4.77 1.63 -1.53 0.08 116.57 121.50 1okd h LYS 102 Ca 0.06 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1okd h LYS 102 Cb 0.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1okd h LYS 102 CO -0.13 0.00 -0.49 1.25 -3.45 0.00 0.00 179.45 176.63 1okd h HIS 103 N 0.00 0.00 -0.43 1.91 2.76 -0.42 -3.19 115.15 115.78 1okd h HIS 103 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1okd h HIS 103 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1okd h HIS 103 CO 0.00 0.49 0.00 1.19 -1.30 0.00 0.00 177.93 178.31 1okd n PHE 104 N -3.32 1.20 -3.27 5.26 3.72 -0.10 -5.01 117.46 115.94 1okd n PHE 104 Ca 0.01 -0.71 -0.23 0.00 -0.05 0.00 0.00 57.45 56.46 1okd n PHE 104 Cb 0.68 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 38.96 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 0.30 -6.50 -4.24 4.37 2.85 -0.53 -4.93 115.26 106.58 1okd n ASN 105 Ca 0.22 0.01 -0.42 0.00 -0.11 0.00 0.00 54.58 54.27 1okd n ASN 105 Cb 0.86 -3.30 -0.07 0.00 1.24 0.00 0.00 39.78 38.51 1okd n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1okd s VAL 106 N -2.17 4.49 0.11 3.44 1.01 -1.07 -4.95 120.40 121.26 1okd s VAL 106 Ca 0.26 -1.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.27 1okd s VAL 106 Cb -0.04 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1okd s VAL 106 CO 0.83 -0.81 1.71 -0.08 0.00 0.00 0.00 175.10 176.75 1okd h GLU 107 N 8.53 -0.09 -1.79 2.72 4.57 -1.93 -3.46 114.58 123.13 1okd h GLU 107 Ca -0.22 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1okd h GLU 107 Cb 1.08 0.02 -0.21 0.00 -0.16 0.00 0.00 28.75 29.48 1okd h GLU 107 CO 0.90 -0.06 0.43 -1.12 -1.18 0.00 0.00 179.01 177.99 1okd s SER 108 N -5.12 -0.45 0.49 1.04 0.01 -1.26 -5.17 113.70 103.23 1okd s SER 108 Ca -0.14 0.44 -0.08 0.00 1.31 0.00 0.00 55.95 57.48 1okd s SER 108 Cb 0.08 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.65 1okd s SER 108 CO 0.67 -0.46 0.83 0.27 0.41 0.00 0.00 173.24 174.96 1okd s ILE 109 N -1.39 4.83 0.46 1.44 -0.00 -1.26 -4.45 121.20 120.83 1okd s ILE 109 Ca -0.04 0.47 -0.10 0.00 -0.00 0.00 0.00 60.65 60.98 1okd s ILE 109 Cb -0.00 -3.83 -0.06 0.00 -0.00 0.00 0.00 42.46 38.58 1okd s ILE 109 CO 0.03 -0.81 0.83 -2.16 -0.00 0.00 0.00 174.94 172.83 1okd s PRO 110 N -4.55 3.72 0.33 0.37 0.04 -1.26 -5.00 135.00 128.65 1okd s PRO 110 Ca 0.50 0.50 0.06 0.00 0.04 0.00 0.00 61.00 62.09 1okd s PRO 110 Cb -0.10 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1okd s PRO 110 CO 0.42 -0.17 0.31 -0.08 0.04 0.00 0.00 177.00 177.52 1okd s THR 111 N -2.60 0.00 -0.12 1.26 -1.32 -0.46 -4.98 115.64 107.42 1okd s THR 111 Ca 0.52 -1.93 -0.05 0.00 -1.21 0.00 0.00 61.69 59.02 1okd s THR 111 Cb -0.10 -2.53 0.06 0.00 -1.51 0.00 0.00 72.50 68.42 1okd s THR 111 CO 0.37 0.00 0.26 -0.22 -2.21 0.00 0.00 174.62 172.83 1okd s LEU 112 N -3.35 -0.12 -0.07 9.08 1.98 -1.26 -2.50 118.68 122.44 1okd s LEU 112 Ca 0.39 0.58 0.04 0.00 -2.89 0.00 0.00 54.13 52.26 1okd s LEU 112 Cb 0.02 0.72 0.00 0.00 0.66 0.00 0.00 46.19 47.59 1okd s LEU 112 CO 0.27 -0.22 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.68 1okd s ILE 113 N 2.11 1.71 -0.15 6.68 1.01 -0.22 -1.49 121.20 130.84 1okd s ILE 113 Ca -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1okd s ILE 113 Cb -0.12 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1okd s ILE 113 CO -0.09 0.48 -0.05 -0.83 0.00 0.00 0.00 174.94 174.45 1okd s GLY 114 N 0.24 1.68 0.09 6.18 0.00 0.14 0.15 107.32 115.82 1okd s GLY 114 Ca -0.12 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.79 1okd s GLY 114 CO 0.05 -0.07 -0.10 -1.34 0.00 0.00 0.00 173.10 171.65 1okd s VAL 115 N 0.41 0.91 -0.31 1.40 -7.23 0.02 -1.30 120.40 114.30 1okd s VAL 115 Ca -0.05 -1.61 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 1okd s VAL 115 Cb -0.14 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1okd s VAL 115 CO 0.03 -0.55 0.12 -1.81 -0.31 0.00 0.00 175.10 172.58 1okd s ASP 116 N -2.41 5.38 0.25 4.85 1.01 -1.25 -0.93 116.67 123.57 1okd s ASP 116 Ca 0.05 -0.63 -0.04 0.00 0.71 0.00 0.00 52.55 52.64 1okd s ASP 116 Cb -0.03 -1.95 0.34 0.00 1.01 0.00 0.00 42.92 42.29 1okd s ASP 116 CO -0.00 -0.20 1.89 0.00 0.21 0.00 0.00 175.17 177.07 1okd h ALA 117 N 8.31 1.31 0.10 5.23 0.00 -1.85 -1.26 119.26 131.10 1okd h ALA 117 Ca -0.31 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.28 1okd h ALA 117 Cb 1.14 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1okd h ALA 117 CO 0.61 0.49 -1.20 -0.44 0.00 0.00 0.00 179.25 178.71 1okd h ASP 118 N 1.20 0.73 -0.62 0.00 5.19 -1.89 0.82 116.42 121.85 1okd h ASP 118 Ca 0.40 -0.67 0.02 0.00 -0.62 0.00 0.00 57.03 56.16 1okd h ASP 118 Cb 0.05 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.30 1okd h ASP 118 CO -0.14 1.49 0.39 -1.28 -3.12 0.00 0.00 179.24 176.58 1okd h SER 119 N 0.23 0.64 0.00 6.45 0.87 -1.83 -3.20 113.55 116.71 1okd h SER 119 Ca -0.16 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1okd h SER 119 Cb 1.87 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1okd h SER 119 CO 0.22 0.45 0.00 0.61 -0.53 0.00 0.00 176.83 177.58 1okd n GLY 120 N -1.27 3.03 3.88 5.77 0.00 -0.51 -4.47 105.19 111.62 1okd n GLY 120 Ca 0.06 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1okd n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1okd s ASP 121 N 0.00 5.35 0.38 1.61 -1.08 -1.26 -0.72 116.67 120.94 1okd s ASP 121 Ca 0.00 -0.50 -0.27 0.00 -0.52 0.00 0.00 52.55 51.26 1okd s ASP 121 Cb 0.00 -0.91 -0.09 0.00 -1.46 0.00 0.00 42.92 40.46 1okd s ASP 121 CO 0.00 -0.45 1.29 -0.69 0.52 0.00 0.00 175.17 175.85 1okd s VAL 122 N -2.32 2.70 -0.19 1.11 1.01 -1.26 -3.91 120.40 117.53 1okd s VAL 122 Ca 0.44 0.65 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1okd s VAL 122 Cb -0.06 -3.40 -0.17 0.00 0.00 0.00 0.00 36.38 32.75 1okd s VAL 122 CO 0.28 0.12 -0.07 0.52 0.00 0.00 0.00 175.10 175.95 1okd n VAL 123 N 0.39 1.18 -3.82 2.92 0.31 -1.10 -4.94 118.33 113.26 1okd n VAL 123 Ca 0.02 -0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 63.65 1okd n VAL 123 Cb 0.43 -0.91 -0.10 0.00 -0.91 0.00 0.00 33.84 32.34 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 -2.41 0.04 -0.34 2.52 -1.32 -0.42 -4.31 115.64 109.39 1okd s THR 124 Ca -0.19 -0.35 0.16 0.00 -1.21 0.00 0.00 61.69 60.10 1okd s THR 124 Cb 0.06 -0.42 0.42 0.00 -1.51 0.00 0.00 72.50 71.05 1okd s THR 124 CO 0.58 -0.19 0.90 0.35 -2.21 0.00 0.00 174.62 174.05 1okd n THR 125 N 2.07 0.57 -2.59 5.08 -2.24 -1.26 0.25 114.28 116.15 1okd n THR 125 Ca -0.18 -3.44 -0.02 0.00 -2.27 0.00 0.00 64.05 58.13 1okd n THR 125 Cb 0.57 0.41 0.02 0.00 -2.10 0.00 0.00 70.33 69.22 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 0.03 0.31 -0.90 -0.78 -4.01 -0.88 -4.85 116.66 105.59 1okd n ARG 126 Ca 0.14 -0.52 -0.16 0.00 -1.04 0.00 0.00 57.85 56.27 1okd n ARG 126 Cb 0.77 0.06 0.15 0.00 -3.04 0.00 0.00 32.46 30.40 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1okd n ALA 127 N -0.44 4.71 0.03 2.89 0.00 -0.56 -4.45 120.51 122.69 1okd n ALA 127 Ca -0.13 -2.11 -0.10 0.00 0.00 0.00 0.00 53.44 51.10 1okd n ALA 127 Cb 0.62 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1okd n ALA 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1okd h ARG 128 N 1.00 -0.17 0.13 0.00 2.43 -1.91 -2.80 114.38 113.06 1okd h ARG 128 Ca 0.43 0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 59.30 1okd h ARG 128 Cb 2.34 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.92 1okd h ARG 128 CO 0.79 0.27 -1.54 0.00 -1.51 0.00 0.00 179.97 177.98 1okd h ALA 129 N -0.40 0.25 -0.18 2.80 0.00 -1.97 -3.36 119.26 116.40 1okd h ALA 129 Ca -0.02 -1.10 -0.07 0.00 0.00 0.00 0.00 54.91 53.72 1okd h ALA 129 Cb 0.51 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1okd h ALA 129 CO 0.03 1.11 -0.18 1.79 0.00 0.00 0.00 179.25 182.00 1okd h THR 130 N 0.07 1.34 -0.92 0.00 1.35 -1.78 0.44 112.91 113.41 1okd h THR 130 Ca -0.25 -1.34 0.18 0.00 -0.55 0.00 0.00 66.41 64.45 1okd h THR 130 Cb 2.03 1.81 -0.08 0.00 -1.73 0.00 0.00 68.15 70.18 1okd h THR 130 CO 0.17 0.40 0.59 0.25 -0.25 0.00 0.00 175.52 176.68 1okd h LEU 131 N 0.09 0.56 0.00 3.87 6.46 -1.67 0.21 115.31 124.84 1okd h LEU 131 Ca 0.03 0.05 -0.21 0.00 -0.12 0.00 0.00 57.88 57.63 1okd h LEU 131 Cb 0.72 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 1okd h LEU 131 CO 0.04 0.24 -1.16 1.62 -0.62 0.00 0.00 178.44 178.56 1okd h VAL 132 N 0.56 0.99 0.00 1.05 3.04 -1.68 -3.37 116.25 116.85 1okd h VAL 132 Ca 0.48 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.97 1okd h VAL 132 Cb 0.98 2.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 1okd h VAL 132 CO -0.22 0.36 0.00 0.29 -1.01 0.00 0.00 177.57 176.98 1okd n LYS 133 N -4.42 0.96 -3.74 4.17 4.76 0.15 -4.43 118.16 115.61 1okd n LYS 133 Ca -0.30 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.81 1okd n LYS 133 Cb 0.67 -1.29 -0.09 0.00 -1.84 0.00 0.00 35.03 32.49 1okd n LYS 133 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1okd s ASP 134 N -0.44 5.53 -0.04 4.39 2.15 0.71 -4.90 116.67 124.07 1okd s ASP 134 Ca 0.00 -3.78 0.05 0.00 0.43 0.00 0.00 52.55 49.26 1okd s ASP 134 Cb 0.00 -1.80 0.22 0.00 -0.30 0.00 0.00 42.92 41.04 1okd s ASP 134 CO 0.00 -0.14 1.00 -0.81 -0.17 0.00 0.00 175.17 175.05 1okd n PRO 135 N 2.19 1.86 -0.01 4.34 -0.04 -1.26 -3.61 135.00 138.45 1okd n PRO 135 Ca 0.21 -0.86 0.01 0.00 -0.04 0.00 0.00 63.50 62.81 1okd n PRO 135 Cb 0.36 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1okd n PRO 135 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1okd n GLU 136 N 0.16 1.35 -1.75 0.54 1.02 -1.26 -4.99 120.64 115.71 1okd n GLU 136 Ca 0.08 -0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 1okd n GLU 136 Cb 0.37 -1.16 -0.05 0.00 -0.02 0.00 0.00 31.44 30.58 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1okd n GLY 137 N 2.32 0.84 0.11 0.62 0.00 -1.24 -4.80 105.19 103.04 1okd n GLY 137 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1okd n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1okd n GLU 138 N -2.28 0.23 -1.36 1.61 0.28 -1.26 -3.51 120.64 114.36 1okd n GLU 138 Ca -0.16 0.26 0.04 0.00 -0.16 0.00 0.00 57.16 57.14 1okd n GLU 138 Cb 0.54 -1.81 0.04 0.00 1.43 0.00 0.00 31.44 31.65 1okd n GLU 138 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1okd n GLN 139 N -2.22 0.20 -0.19 3.44 6.02 -1.26 -4.97 117.38 118.41 1okd n GLN 139 Ca 0.05 -2.14 0.09 0.00 -0.01 0.00 0.00 57.00 54.99 1okd n GLN 139 Cb 0.37 -0.22 0.18 0.00 1.02 0.00 0.00 30.24 31.59 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 0.28 0.38 0.28 1.08 -1.74 -1.23 0.37 117.46 116.87 1okd n PHE 140 Ca 0.08 0.67 0.01 0.00 -0.56 0.00 0.00 57.45 57.65 1okd n PHE 140 Cb 1.08 -0.93 0.08 0.00 1.52 0.00 0.00 39.48 41.22 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 -4.65 0.14 -1.21 3.97 -0.04 -1.26 -4.80 135.00 127.15 1okd n PRO 141 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1okd n PRO 141 Cb 0.45 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.78 0.00 -3.55 0.54 8.01 1.16 -4.61 117.44 118.20 1okd n TRP 142 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 1okd n TRP 142 Cb 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 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 -0.28 1.87 -1.97 -0.99 2.85 -1.26 -4.72 118.16 113.66 1okd n LYS 143 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1okd n LYS 143 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1okd n LYS 143 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1okd n ASP 144 N -1.51 0.97 -4.16 -5.58 2.03 -1.26 -5.07 116.55 101.98 1okd n ASP 144 Ca 0.00 -0.98 -0.38 0.00 0.52 0.00 0.00 54.79 53.94 1okd n ASP 144 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1okd s ALA 145 N -2.00 4.27 1.00 -1.67 0.00 -1.26 -5.07 121.76 117.03 1okd s ALA 145 Ca 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 51.96 48.20 1okd s ALA 145 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1okd s ALA 145 CO 0.00 -2.16 0.00 -0.35 0.00 0.00 0.00 175.76 173.25 1okd n PRO 146 N 2.59 -0.57 -3.80 0.00 -0.04 -1.26 -5.01 135.00 126.91 1okd n PRO 146 Ca 0.20 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.34 1okd n PRO 146 Cb 0.38 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 1okd n PRO 146 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1okd s LEU 147 N 0.00 4.97 0.48 1.53 1.43 -1.26 -5.08 118.68 120.75 1okd s LEU 147 Ca 0.00 -3.36 -0.21 0.00 -1.03 0.00 0.00 54.13 49.54 1okd s LEU 147 Cb 0.00 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 1okd s LEU 147 CO 0.00 -0.22 1.05 -0.70 0.23 0.00 0.00 176.35 176.71 1okd s GLU 148 N -0.78 3.81 0.00 1.70 2.56 -1.26 -5.35 118.70 119.38 1okd s GLU 148 Ca 0.21 1.41 0.00 0.00 0.00 0.00 0.00 54.97 56.59 1okd s GLU 148 Cb -0.15 -2.15 0.00 0.00 2.00 0.00 0.00 34.13 33.83 1okd s GLU 148 CO -0.08 -0.43 0.00 -2.39 -0.56 0.00 0.00 175.26 171.80