#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 0.00 1.15 0.23 0.00 -1.80 -1.60 103.07 101.05 1okd h GLY 3 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1okd h GLY 3 CO 0.00 0.00 0.35 1.41 0.00 0.00 0.00 176.54 178.30 1okd h LEU 4 N 0.00 0.00 -0.84 3.11 3.38 -1.83 -0.38 115.31 118.76 1okd h LEU 4 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1okd h LEU 4 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1okd h LEU 4 CO -0.00 0.00 0.55 0.44 0.09 0.00 0.00 178.44 179.52 1okd h ASP 5 N 0.00 0.92 1.00 -0.43 5.19 -1.60 -1.94 116.42 119.56 1okd h ASP 5 Ca 0.13 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.39 1okd h ASP 5 Cb 0.82 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1okd h ASP 5 CO -0.00 0.64 -0.68 0.07 -3.12 0.00 0.00 179.24 176.15 1okd h LYS 6 N 1.08 0.00 -0.05 3.56 2.10 -1.28 -3.16 116.57 118.81 1okd h LYS 6 Ca 0.33 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.93 1okd h LYS 6 Cb -0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1okd h LYS 6 CO -0.10 0.68 -0.17 1.88 -2.00 0.00 0.00 179.45 179.74 1okd h TYR 7 N 0.00 0.09 -2.14 0.07 -1.99 -1.18 -3.44 116.97 108.37 1okd h TYR 7 Ca -0.01 -0.01 -0.57 0.00 2.00 0.00 0.00 58.73 60.15 1okd h TYR 7 Cb 1.36 -0.02 -0.13 0.00 2.00 0.00 0.00 36.73 39.94 1okd h TYR 7 CO 0.00 0.26 -0.61 -0.51 -0.00 0.00 0.00 178.16 177.29 1okd s LEU 8 N -8.66 2.61 0.00 3.88 1.02 -0.94 -4.66 118.68 111.93 1okd s LEU 8 Ca -0.04 -1.35 0.02 0.00 0.02 0.00 0.00 54.13 52.77 1okd s LEU 8 Cb 0.16 -0.71 0.10 0.00 0.02 0.00 0.00 46.19 45.75 1okd s LEU 8 CO 0.71 -0.48 0.63 -2.65 0.02 0.00 0.00 176.35 174.58 1okd n PRO 9 N -0.84 0.55 0.00 1.29 -0.02 -1.26 -4.73 135.00 129.99 1okd n PRO 9 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1okd n PRO 9 Cb 0.66 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 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 0.05 0.87 3.50 -1.23 0.00 -1.26 -5.06 105.19 102.06 1okd n GLY 10 Ca 0.01 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 4.44 0.02 -0.61 -1.09 -1.26 -4.94 121.20 117.76 1okd s ILE 11 Ca 0.00 0.02 -0.17 0.00 -2.23 0.00 0.00 60.65 58.27 1okd s ILE 11 Cb 0.00 -4.54 -0.10 0.00 -1.58 0.00 0.00 42.46 36.24 1okd s ILE 11 CO 0.00 -1.15 1.12 -0.08 -1.23 0.00 0.00 174.94 173.60 1okd h GLU 12 N 9.33 -0.60 -4.22 2.79 4.57 -2.02 -3.48 114.58 120.95 1okd h GLU 12 Ca -0.27 0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.79 1okd h GLU 12 Cb 1.08 0.14 -0.14 0.00 -0.16 0.00 0.00 28.75 29.66 1okd h GLU 12 CO 1.09 -0.40 -0.50 0.15 -1.18 0.00 0.00 179.01 178.17 1okd s LYS 13 N -4.12 1.07 0.34 1.92 1.02 -1.26 -4.32 119.74 114.39 1okd s LYS 13 Ca -0.09 -1.36 0.08 0.00 0.02 0.00 0.00 55.97 54.61 1okd s LYS 13 Cb 0.01 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1okd s LYS 13 CO 0.27 -0.35 0.23 -0.51 -0.92 0.00 0.00 175.35 174.07 1okd s LEU 14 N -3.03 3.44 -0.47 3.17 1.43 -1.23 -4.58 118.68 117.40 1okd s LEU 14 Ca 0.24 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1okd s LEU 14 Cb 0.06 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 44.38 1okd s LEU 14 CO 0.03 -0.34 0.36 -0.13 0.23 0.00 0.00 176.35 176.50 1okd s ARG 15 N -3.93 2.73 -0.41 1.70 0.52 0.35 -3.14 118.95 116.76 1okd s ARG 15 Ca 0.40 -1.57 -0.02 0.00 -0.52 0.00 0.00 55.73 54.01 1okd s ARG 15 Cb -0.04 -4.00 0.17 0.00 0.52 0.00 0.00 34.95 31.59 1okd s ARG 15 CO 0.25 -1.11 2.35 -2.13 0.02 0.00 0.00 175.30 174.68 1okd n ARG 16 N 5.04 2.14 -2.33 3.54 0.63 -0.66 -2.05 116.66 122.98 1okd n ARG 16 Ca -0.11 -2.06 0.00 0.00 -0.92 0.00 0.00 57.85 54.77 1okd n ARG 16 Cb 0.42 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.42 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 0.48 -5.68 5.00 5.14 0.00 -1.00 -4.03 105.19 105.10 1okd n GLY 17 Ca 0.41 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1okd n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1okd n ASP 18 N 1.88 0.00 -4.57 1.61 -0.08 -1.26 -4.78 116.55 109.35 1okd n ASP 18 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 1okd n ASP 18 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1okd n ASP 18 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1okd s GLY 19 N 0.00 1.73 0.15 0.27 0.00 -1.26 -5.12 107.32 103.08 1okd s GLY 19 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 1okd s GLY 19 CO 0.00 -0.98 0.35 -0.54 0.00 0.00 0.00 173.10 171.93 1okd s GLU 20 N -1.56 3.54 -0.07 2.90 2.02 -1.26 -1.65 118.70 122.61 1okd s GLU 20 Ca 0.17 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.94 1okd s GLU 20 Cb -0.11 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.23 1okd s GLU 20 CO 0.08 0.47 -0.21 0.14 0.02 0.00 0.00 175.26 175.77 1okd s VAL 21 N -1.71 1.76 0.51 2.63 -7.23 -1.19 -4.89 120.40 110.29 1okd s VAL 21 Ca 0.39 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.45 1okd s VAL 21 Cb -0.12 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.25 1okd s VAL 21 CO 0.27 0.49 1.39 -1.61 -0.31 0.00 0.00 175.10 175.34 1okd s GLU 22 N 0.15 3.33 0.56 4.82 8.01 -1.26 -3.58 118.70 130.73 1okd s GLU 22 Ca -0.10 2.33 0.25 0.00 0.01 0.00 0.00 54.97 57.46 1okd s GLU 22 Cb -0.15 -2.41 1.48 0.00 -4.31 0.00 0.00 34.13 28.75 1okd s GLU 22 CO 0.05 -1.07 2.05 0.28 0.01 0.00 0.00 175.26 176.58 1okd h VAL 23 N 1.77 0.65 -0.62 2.63 2.07 -1.94 -0.97 116.25 119.83 1okd h VAL 23 Ca -0.51 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.19 1okd h VAL 23 Cb 1.29 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1okd h VAL 23 CO 0.59 0.00 0.54 0.50 0.02 0.00 0.00 177.57 179.22 1okd h LYS 24 N 0.00 0.00 0.00 1.57 1.63 -1.94 0.27 116.57 118.10 1okd h LYS 24 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1okd h LYS 24 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1okd h LYS 24 CO -0.00 0.00 0.00 1.03 -3.45 0.00 0.00 179.45 177.03 1okd h SER 25 N 0.00 0.00 -1.57 4.20 0.87 -1.52 -2.12 113.55 113.41 1okd h SER 25 Ca 0.29 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 60.19 1okd h SER 25 Cb 1.37 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.99 1okd h SER 25 CO -0.00 0.00 0.18 0.18 -0.53 0.00 0.00 176.83 176.65 1okd n LEU 26 N -2.74 6.23 -4.32 2.23 4.77 0.95 -4.90 117.00 119.22 1okd n LEU 26 Ca -0.02 -4.91 -0.45 0.00 -0.03 0.00 0.00 56.01 50.60 1okd n LEU 26 Cb 0.07 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.39 1okd n LEU 26 CO 0.16 1.94 0.60 0.00 -1.33 0.00 0.00 177.39 178.76 1okd s ALA 27 N -3.80 4.42 0.00 -1.18 0.00 -0.80 -4.43 121.76 115.98 1okd s ALA 27 Ca 0.52 -3.62 0.00 0.00 0.00 0.00 0.00 51.96 48.85 1okd s ALA 27 Cb 0.43 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1okd s ALA 27 CO -0.24 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 173.71 1okd n GLY 28 N 3.20 0.62 3.42 0.00 0.00 -1.26 -4.96 105.19 106.22 1okd n GLY 28 Ca 0.19 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.37 1.45 -0.74 1.61 -2.85 -1.26 -4.96 119.74 112.62 1okd s LYS 29 Ca 0.00 -1.46 -0.16 0.00 -1.00 0.00 0.00 55.97 53.35 1okd s LYS 29 Cb 0.00 0.39 0.17 0.00 -2.06 0.00 0.00 37.83 36.32 1okd s LYS 29 CO 0.00 -0.56 0.75 -1.17 0.10 0.00 0.00 175.35 174.47 1okd s LEU 30 N -3.10 6.13 -0.30 2.77 2.96 -1.26 -2.87 118.68 123.00 1okd s LEU 30 Ca 0.30 -2.16 -0.24 0.00 -0.22 0.00 0.00 54.13 51.80 1okd s LEU 30 Cb 0.02 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1okd s LEU 30 CO 0.12 -0.81 0.83 -0.69 -1.32 0.00 0.00 176.35 174.47 1okd s VAL 31 N 1.32 4.76 0.27 1.68 1.01 -0.62 -3.20 120.40 125.62 1okd s VAL 31 Ca 0.16 1.29 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 1okd s VAL 31 Cb -0.16 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 1okd s VAL 31 CO -0.04 -0.26 0.61 -0.36 0.00 0.00 0.00 175.10 175.05 1okd s PHE 32 N 3.03 3.43 -0.22 5.22 0.08 0.84 -2.09 117.98 128.27 1okd s PHE 32 Ca 0.34 0.92 -0.04 0.00 0.12 0.00 0.00 56.93 58.27 1okd s PHE 32 Cb -0.14 -2.30 0.08 0.00 -0.57 0.00 0.00 43.02 40.09 1okd s PHE 32 CO 0.12 0.18 0.15 -0.06 -0.10 0.00 0.00 175.22 175.51 1okd s PHE 33 N -1.95 0.05 -0.24 0.36 0.40 8.99 0.22 117.98 125.82 1okd s PHE 33 Ca 0.48 -0.30 -0.09 0.00 -0.60 0.00 0.00 56.93 56.42 1okd s PHE 33 Cb -0.11 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.74 1okd s PHE 33 CO 0.23 -0.64 0.13 1.52 0.70 0.00 0.00 175.22 177.16 1okd s TYR 34 N 2.19 3.24 -0.15 0.36 1.13 3.88 -0.95 117.35 127.05 1okd s TYR 34 Ca 0.05 0.05 -0.15 0.00 -1.41 0.00 0.00 57.07 55.61 1okd s TYR 34 Cb -0.16 -2.25 -0.05 0.00 -1.10 0.00 0.00 41.96 38.41 1okd s TYR 34 CO -0.18 -0.05 0.33 -0.06 -2.51 0.00 0.00 175.55 173.08 1okd s PHE 35 N 1.18 3.47 -0.06 -3.49 0.08 -0.52 -2.47 117.98 116.17 1okd s PHE 35 Ca 0.06 0.65 -0.32 0.00 0.12 0.00 0.00 56.93 57.45 1okd s PHE 35 Cb -0.14 -2.39 0.12 0.00 -0.57 0.00 0.00 43.02 40.04 1okd s PHE 35 CO 0.05 0.21 1.21 -1.54 -0.10 0.00 0.00 175.22 175.05 1okd s SER 36 N 0.52 -0.11 0.28 1.36 1.04 -0.82 -0.66 113.70 115.31 1okd s SER 36 Ca 0.18 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.54 1okd s SER 36 Cb -0.13 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 66.13 1okd s SER 36 CO 0.05 -0.35 0.06 0.00 0.98 0.00 0.00 173.24 173.99 1okd s ALA 37 N -2.54 1.98 0.03 5.32 0.00 -1.26 0.77 121.76 126.06 1okd s ALA 37 Ca 0.12 -1.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.03 1okd s ALA 37 Cb 0.02 0.78 -0.34 0.00 0.00 0.00 0.00 23.12 23.59 1okd s ALA 37 CO -0.04 -0.36 0.99 0.66 0.00 0.00 0.00 175.76 177.01 1okd h SER 38 N 2.30 0.73 -0.10 0.00 4.64 -1.90 -3.29 113.55 115.92 1okd h SER 38 Ca -0.39 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.12 1okd h SER 38 Cb 1.24 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1okd h SER 38 CO 0.65 1.64 0.00 -2.67 -0.87 0.00 0.00 176.83 175.58 1okd n TRP 39 N -3.66 0.12 -1.17 4.77 4.27 -1.26 -4.90 117.44 115.61 1okd n TRP 39 Ca -0.16 -0.06 -0.35 0.00 -3.89 0.00 0.00 57.50 53.04 1okd n TRP 39 Cb 1.09 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 31.12 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 -0.61 -0.12 0.01 0.00 0.11 -1.92 -3.34 132.00 126.13 1okd h PRO 41 Ca -0.45 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1okd h PRO 41 Cb 1.33 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1okd h PRO 41 CO 0.41 -0.08 -0.00 -1.35 -0.21 0.00 0.00 178.00 176.77 1okd h PRO 42 N -0.13 -0.01 -5.88 1.05 0.11 -1.91 -3.46 132.00 121.78 1okd h PRO 42 Ca 0.06 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.83 1okd h PRO 42 Cb 0.21 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.17 1okd h PRO 42 CO -0.15 -0.01 -0.50 0.00 -0.21 0.00 0.00 178.00 177.14 1okd n ARG 44 N -3.43 2.02 -4.17 0.00 0.63 -1.26 -4.55 116.66 105.90 1okd n ARG 44 Ca 0.03 -1.42 -0.36 0.00 -0.92 0.00 0.00 57.85 55.18 1okd n ARG 44 Cb 0.50 -2.43 -0.07 0.00 0.45 0.00 0.00 32.46 30.91 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 3.75 -0.39 3.55 5.14 0.00 -1.26 -4.82 105.19 111.15 1okd n GLY 45 Ca 0.43 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 1okd n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1okd s PHE 46 N -2.99 2.37 0.00 1.61 5.36 -1.26 -4.14 117.98 118.93 1okd s PHE 46 Ca 0.71 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 1okd s PHE 46 Cb -0.41 -4.57 0.00 0.00 -0.34 0.00 0.00 43.02 37.69 1okd s PHE 46 CO 0.87 -1.95 0.00 0.25 -1.46 0.00 0.00 175.22 172.93 1okd n THR 47 N 6.39 0.00 0.19 0.12 -2.24 -1.26 -4.96 114.28 112.52 1okd n THR 47 Ca 0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.89 1okd n THR 47 Cb 0.49 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.15 1okd n THR 47 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1okd h PRO 48 N 0.00 0.00 -0.03 -0.78 0.13 -1.99 0.81 132.00 130.14 1okd h PRO 48 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1okd h PRO 48 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1okd h PRO 48 CO 0.00 0.00 -0.90 1.96 -0.23 0.00 0.00 178.00 178.83 1okd h GLN 49 N 0.00 0.66 -0.14 0.86 7.50 -1.93 -2.88 115.11 119.18 1okd h GLN 49 Ca 0.00 -0.67 0.01 0.00 0.50 0.00 0.00 58.65 58.49 1okd h GLN 49 Cb 0.60 0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.30 1okd h GLN 49 CO 0.00 1.27 0.05 1.25 -1.50 0.00 0.00 178.83 179.90 1okd h LEU 50 N 0.31 0.06 -1.57 1.46 7.12 -1.24 0.13 115.31 121.58 1okd h LEU 50 Ca -0.10 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 1okd h LEU 50 Cb 1.56 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.68 1okd h LEU 50 CO 0.18 0.06 0.23 0.40 -0.13 0.00 0.00 178.44 179.18 1okd h ILE 51 N 0.12 1.11 0.05 4.05 1.08 -1.62 0.83 117.51 123.14 1okd h ILE 51 Ca 0.06 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1okd h ILE 51 Cb 0.03 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1okd h ILE 51 CO -0.06 0.12 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.16 1okd h GLU 52 N 0.53 -0.07 -0.08 2.37 4.39 -1.17 0.99 114.58 121.53 1okd h GLU 52 Ca 0.14 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 1okd h GLU 52 Cb -0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1okd h GLU 52 CO -0.03 0.47 -0.32 0.35 -1.16 0.00 0.00 179.01 178.32 1okd h PHE 53 N -0.65 0.18 0.00 4.33 3.57 -0.72 -1.85 116.94 121.80 1okd h PHE 53 Ca -0.01 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1okd h PHE 53 Cb 0.56 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1okd h PHE 53 CO 0.11 0.46 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.67 1okd h TYR 54 N 0.14 0.00 -0.17 0.41 3.20 0.69 -2.94 116.97 118.30 1okd h TYR 54 Ca 0.02 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1okd h TYR 54 Cb 0.63 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1okd h TYR 54 CO 0.01 0.27 0.16 0.22 -1.64 0.00 0.00 178.16 177.18 1okd h ASP 55 N -1.00 0.00 0.65 -2.11 3.58 0.97 2.44 116.42 120.94 1okd h ASP 55 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1okd h ASP 55 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1okd h ASP 55 CO -0.01 0.00 -0.84 0.29 -2.88 0.00 0.00 179.24 175.81 1okd n LYS 56 N -3.97 0.30 0.00 0.28 4.76 -0.70 -4.40 118.16 114.43 1okd n LYS 56 Ca 0.01 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1okd n LYS 56 Cb 0.29 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.05 0.00 0.13 2.13 3.72 -0.49 -4.83 117.46 116.07 1okd n PHE 57 Ca 0.02 -0.04 0.19 0.00 -0.05 0.00 0.00 57.45 57.58 1okd n PHE 57 Cb 0.44 -0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.67 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 1okd h HIS 58 N 0.00 0.00 -0.12 1.38 2.07 0.39 -0.33 115.15 118.53 1okd h HIS 58 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1okd h HIS 58 Cb 0.56 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.54 1okd h HIS 58 CO 0.00 0.00 -0.01 0.93 -3.07 0.00 0.00 177.93 175.78 1okd h GLU 59 N 0.00 0.23 0.14 5.12 5.08 -1.88 1.19 114.58 124.46 1okd h GLU 59 Ca 0.17 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 58.15 1okd h GLU 59 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1okd h GLU 59 CO -0.00 0.50 -1.45 1.03 -1.00 0.00 0.00 179.01 178.09 1okd h SER 60 N -0.06 0.46 0.42 1.42 0.87 -1.57 -3.36 113.55 111.74 1okd h SER 60 Ca 0.03 -0.58 -0.31 0.00 -1.23 0.00 0.00 61.79 59.71 1okd h SER 60 Cb 0.41 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1okd h SER 60 CO 0.01 1.47 -1.54 0.50 -0.53 0.00 0.00 176.83 176.73 1okd h LYS 61 N 0.08 0.28 -6.78 2.24 1.63 -1.19 -3.49 116.57 109.34 1okd h LYS 61 Ca -0.22 -0.47 -0.52 0.00 -0.85 0.00 0.00 60.65 58.59 1okd h LYS 61 Cb 2.03 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 33.83 1okd h LYS 61 CO 0.19 1.15 -1.04 0.27 -3.45 0.00 0.00 179.45 176.57 1okd n ASN 62 N -3.48 -4.68 -4.50 4.20 6.94 0.41 -4.89 115.26 109.27 1okd n ASN 62 Ca -0.17 -1.07 -0.24 0.00 -0.02 0.00 0.00 54.58 53.08 1okd n ASN 62 Cb 1.05 -1.78 -0.10 0.00 -2.36 0.00 0.00 39.78 36.58 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1okd s PHE 63 N -3.19 2.13 -0.09 -2.53 -0.12 -1.26 -4.56 117.98 108.35 1okd s PHE 63 Ca 0.19 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.19 1okd s PHE 63 Cb -0.10 -1.45 0.02 0.00 -0.63 0.00 0.00 43.02 40.86 1okd s PHE 63 CO 0.92 0.14 -0.11 -2.00 -0.05 0.00 0.00 175.22 174.13 1okd s GLU 64 N -3.82 1.70 -0.29 1.99 2.56 -1.20 -5.02 118.70 114.62 1okd s GLU 64 Ca 0.34 -0.36 -0.11 0.00 0.00 0.00 0.00 54.97 54.84 1okd s GLU 64 Cb 0.09 -1.57 -0.04 0.00 2.00 0.00 0.00 34.13 34.61 1okd s GLU 64 CO 0.16 -0.13 0.18 0.08 -0.56 0.00 0.00 175.26 174.99 1okd s VAL 65 N 1.20 5.13 0.18 3.70 1.01 -1.26 -0.11 120.40 130.24 1okd s VAL 65 Ca -0.04 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1okd s VAL 65 Cb -0.14 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1okd s VAL 65 CO -0.03 0.22 0.54 -0.69 0.00 0.00 0.00 175.10 175.14 1okd s VAL 66 N 1.73 4.91 -0.66 2.92 1.01 0.13 -3.19 120.40 127.25 1okd s VAL 66 Ca 0.07 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 1okd s VAL 66 Cb -0.16 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.68 1okd s VAL 66 CO 0.10 0.10 0.70 0.12 0.00 0.00 0.00 175.10 176.12 1okd s PHE 67 N -1.62 3.24 -0.42 5.22 5.36 0.34 -3.46 117.98 126.64 1okd s PHE 67 Ca 0.42 -1.31 -0.19 0.00 -0.96 0.00 0.00 56.93 54.88 1okd s PHE 67 Cb -0.13 -3.94 0.02 0.00 -0.34 0.00 0.00 43.02 38.63 1okd s PHE 67 CO 0.20 -1.17 0.56 0.00 -1.46 0.00 0.00 175.22 173.35 1okd s THR 69 N 2.55 3.09 -0.25 0.00 -1.32 -1.26 -1.95 115.64 116.51 1okd s THR 69 Ca 0.19 0.35 0.20 0.00 -1.21 0.00 0.00 61.69 61.22 1okd s THR 69 Cb -0.15 -3.09 0.46 0.00 -1.51 0.00 0.00 72.50 68.21 1okd s THR 69 CO 0.17 -0.46 1.23 1.87 -2.21 0.00 0.00 174.62 175.22 1okd n TRP 70 N -3.44 0.17 -3.57 9.09 -0.00 0.23 -4.42 117.44 115.49 1okd n TRP 70 Ca 0.07 -1.82 -0.38 0.00 -0.00 0.00 0.00 57.50 55.37 1okd n TRP 70 Cb 0.56 0.31 -0.10 0.00 -0.00 0.00 0.00 31.31 32.08 1okd n TRP 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1okd s ASP 71 N -2.80 6.09 0.52 5.87 1.01 -1.26 -4.36 116.67 121.74 1okd s ASP 71 Ca 0.21 0.08 0.21 0.00 0.71 0.00 0.00 52.55 53.76 1okd s ASP 71 Cb 0.35 -2.13 1.38 0.00 1.01 0.00 0.00 42.92 43.52 1okd s ASP 71 CO -0.07 -0.04 2.13 -0.08 0.21 0.00 0.00 175.17 177.31 1okd h GLU 72 N 8.12 0.00 -5.76 8.23 4.22 -2.00 -3.44 114.58 123.95 1okd h GLU 72 Ca -0.35 0.00 -0.62 0.00 0.08 0.00 0.00 59.36 58.46 1okd h GLU 72 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1okd h GLU 72 CO 0.59 0.06 -0.63 -2.00 -2.18 0.00 0.00 179.01 174.86 1okd s GLU 73 N -4.72 1.92 0.37 1.92 2.56 -1.26 -5.04 118.70 114.45 1okd s GLU 73 Ca -0.04 -2.04 0.19 0.00 0.00 0.00 0.00 54.97 53.07 1okd s GLU 73 Cb 0.16 -1.67 0.62 0.00 2.00 0.00 0.00 34.13 35.24 1okd s GLU 73 CO 0.63 0.02 1.71 0.93 -0.56 0.00 0.00 175.26 177.98 1okd h GLU 74 N 1.85 0.00 -0.77 4.30 4.39 -2.01 -3.20 114.58 119.14 1okd h GLU 74 Ca -0.43 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.35 1okd h GLU 74 Cb 1.24 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 1okd h GLU 74 CO 0.77 0.38 0.43 0.22 -1.16 0.00 0.00 179.01 179.66 1okd h ASP 75 N 0.00 0.62 0.46 1.42 3.58 -1.96 -1.36 116.42 119.18 1okd h ASP 75 Ca -0.00 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1okd h ASP 75 Cb 0.95 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1okd h ASP 75 CO 0.05 0.37 -0.22 1.23 -2.88 0.00 0.00 179.24 177.79 1okd h GLY 76 N 0.75 -0.64 1.01 -0.78 0.00 -1.92 -0.95 103.07 100.54 1okd h GLY 76 Ca 0.36 0.24 0.12 0.00 0.00 0.00 0.00 47.33 48.04 1okd h GLY 76 CO -0.23 -0.23 0.38 -2.75 0.00 0.00 0.00 176.54 173.71 1okd h PHE 77 N -0.86 0.00 0.02 5.60 3.04 -1.62 0.50 116.94 123.62 1okd h PHE 77 Ca -0.06 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1okd h PHE 77 Cb 0.57 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1okd h PHE 77 CO 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 178.31 176.28 1okd h ALA 78 N 1.61 -0.03 0.00 2.41 0.00 -1.04 -2.66 119.26 119.55 1okd h ALA 78 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1okd h ALA 78 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1okd h ALA 78 CO -0.00 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1okd n GLY 79 N 1.50 -0.90 0.50 0.00 0.00 -0.38 0.38 105.19 106.30 1okd n GLY 79 Ca -0.07 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.23 0.00 -0.06 1.61 9.36 0.11 -4.35 117.16 121.61 1okd n TYR 80 Ca -0.01 0.00 0.25 0.00 3.32 0.00 0.00 57.90 61.46 1okd n TYR 80 Cb 0.05 -0.04 0.67 0.00 -0.63 0.00 0.00 39.34 39.40 1okd n TYR 80 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1okd h PHE 81 N 2.45 0.00 0.00 2.98 -0.00 0.29 0.67 116.94 123.32 1okd h PHE 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1okd h PHE 81 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.64 1okd h PHE 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.31 178.31 1okd n ALA 82 N -2.39 1.38 -0.69 12.09 0.00 -1.26 -4.79 120.51 124.85 1okd n ALA 82 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.51 1okd n ALA 82 Cb 0.96 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 19.36 1okd n ALA 82 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1okd n LYS 83 N -1.49 -0.63 -2.53 0.00 -0.00 0.23 -4.91 118.16 108.83 1okd n LYS 83 Ca 0.02 -0.42 -0.39 0.00 -0.00 0.00 0.00 58.31 57.52 1okd n LYS 83 Cb 0.10 -0.89 -0.04 0.00 -0.00 0.00 0.00 35.03 34.19 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 -2.64 4.49 0.06 -1.58 -1.94 -1.26 -4.97 119.30 111.46 1okd s MET 84 Ca 0.19 1.67 0.25 0.00 -1.71 0.00 0.00 55.69 56.08 1okd s MET 84 Cb -0.03 -2.96 0.41 0.00 2.01 0.00 0.00 34.83 34.26 1okd s MET 84 CO 0.16 0.11 1.35 -0.35 -0.01 0.00 0.00 175.02 176.29 1okd n PRO 85 N 0.76 0.15 0.00 2.03 -0.04 -1.26 -4.71 135.00 131.93 1okd n PRO 85 Ca 0.01 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1okd n PRO 85 Cb 0.47 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.81 0.00 -3.86 0.54 2.14 -1.26 -2.37 117.44 110.82 1okd n TRP 86 Ca 0.04 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.48 1okd n TRP 86 Cb 0.39 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.75 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 -0.83 1.79 0.10 5.67 1.43 -1.19 -4.08 118.68 121.56 1okd s LEU 87 Ca 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1okd s LEU 87 Cb 0.00 -0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.20 1okd s LEU 87 CO 0.00 -0.03 0.23 0.00 0.23 0.00 0.00 176.35 176.78 1okd s ALA 88 N 0.24 -0.36 -0.25 4.21 0.00 -0.87 0.13 121.76 124.85 1okd s ALA 88 Ca -0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1okd s ALA 88 Cb -0.03 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1okd s ALA 88 CO -0.01 -0.53 0.29 0.08 0.00 0.00 0.00 175.76 175.59 1okd s VAL 89 N -3.84 5.25 0.53 0.00 1.01 -1.25 0.13 120.40 122.23 1okd s VAL 89 Ca 0.04 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 1okd s VAL 89 Cb 0.04 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1okd s VAL 89 CO -0.11 0.24 1.04 -0.81 0.00 0.00 0.00 175.10 175.46 1okd n PRO 90 N 4.83 1.19 -0.28 2.72 -0.04 -1.26 -4.72 135.00 137.45 1okd n PRO 90 Ca -0.11 0.44 0.34 0.00 -0.04 0.00 0.00 63.50 64.13 1okd n PRO 90 Cb 0.51 -2.20 0.73 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.00 0.00 -0.91 0.54 3.57 -1.99 0.18 116.94 119.33 1okd h PHE 91 Ca -0.48 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.19 1okd h PHE 91 Cb 1.34 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 40.01 1okd h PHE 91 CO 0.41 0.00 0.59 0.00 -2.23 0.00 0.00 178.31 177.07 1okd h ALA 92 N 1.33 1.89 -0.25 2.41 0.00 -2.03 -1.22 119.26 121.39 1okd h ALA 92 Ca 0.53 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.42 1okd h ALA 92 Cb 2.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1okd h ALA 92 CO -0.01 -0.16 -0.02 1.04 0.00 0.00 0.00 179.25 180.11 1okd n GLN 93 N -4.58 2.41 0.27 0.00 6.02 0.61 -4.63 117.38 117.49 1okd n GLN 93 Ca 0.19 -2.90 0.11 0.00 -0.01 0.00 0.00 57.00 54.39 1okd n GLN 93 Cb 0.53 -1.79 0.77 0.00 1.02 0.00 0.00 30.24 30.77 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1okd h SER 94 N 1.35 0.00 -0.90 1.08 4.64 -1.04 -1.70 113.55 116.98 1okd h SER 94 Ca 0.06 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.50 1okd h SER 94 Cb 1.44 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.45 1okd h SER 94 CO 0.24 0.00 0.52 1.05 -0.87 0.00 0.00 176.83 177.76 1okd h GLU 95 N 0.00 0.77 -1.01 4.77 4.11 -1.82 -0.33 114.58 121.07 1okd h GLU 95 Ca 0.00 -0.05 0.16 0.00 0.07 0.00 0.00 59.36 59.55 1okd h GLU 95 Cb 0.01 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 28.99 1okd h GLU 95 CO -0.00 0.51 0.62 0.00 0.07 0.00 0.00 179.01 180.21 1okd h ALA 96 N 1.53 1.61 -0.59 1.06 0.00 -1.68 0.70 119.26 121.88 1okd h ALA 96 Ca 0.46 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.49 1okd h ALA 96 Cb 0.54 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1okd h ALA 96 CO -0.30 0.07 0.39 0.28 0.00 0.00 0.00 179.25 179.70 1okd h VAL 97 N 0.87 0.97 0.35 0.00 2.07 -1.17 1.58 116.25 120.92 1okd h VAL 97 Ca 0.55 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.86 1okd h VAL 97 Cb 0.72 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1okd h VAL 97 CO -0.33 0.10 -0.17 1.56 0.02 0.00 0.00 177.57 178.75 1okd h GLN 98 N 0.54 -0.45 -0.02 1.57 4.20 -0.87 -3.14 115.11 116.95 1okd h GLN 98 Ca 0.26 0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.82 1okd h GLN 98 Cb 0.33 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1okd h GLN 98 CO -0.08 -0.13 -0.80 1.57 -0.67 0.00 0.00 178.83 178.73 1okd h LYS 99 N -0.83 0.22 -0.59 1.46 2.10 -1.21 -3.15 116.57 114.56 1okd h LYS 99 Ca -0.05 -0.21 0.12 0.00 -2.00 0.00 0.00 60.65 58.52 1okd h LYS 99 Cb 0.53 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 1okd h LYS 99 CO 0.08 0.91 0.40 1.25 -2.00 0.00 0.00 179.45 180.09 1okd h LEU 100 N 0.13 0.25 -0.90 7.07 5.85 0.22 0.88 115.31 128.81 1okd h LEU 100 Ca -0.03 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1okd h LEU 100 Cb 1.39 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1okd h LEU 100 CO 0.12 0.14 -0.39 0.77 -0.34 0.00 0.00 178.44 178.75 1okd h SER 101 N 0.28 0.33 -0.27 1.25 4.64 -1.50 -2.79 113.55 115.48 1okd h SER 101 Ca 0.28 -0.14 0.07 0.00 -0.47 0.00 0.00 61.79 61.54 1okd h SER 101 Cb 0.73 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1okd h SER 101 CO -0.06 0.69 0.19 0.50 -0.87 0.00 0.00 176.83 177.29 1okd h LYS 102 N 0.27 0.03 0.03 4.77 1.63 -0.92 -0.18 116.57 122.20 1okd h LYS 102 Ca 0.03 -0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.60 1okd h LYS 102 Cb 0.81 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.41 1okd h LYS 102 CO 0.06 0.02 -1.05 0.45 -3.45 0.00 0.00 179.45 175.48 1okd h HIS 103 N 0.03 0.11 -0.47 1.91 3.86 -1.50 -3.21 115.15 115.88 1okd h HIS 103 Ca 0.13 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1okd h HIS 103 Cb 0.48 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1okd h HIS 103 CO -0.00 1.06 0.00 1.19 0.86 0.00 0.00 177.93 181.04 1okd n PHE 104 N -3.39 0.73 -3.93 2.45 3.72 -0.24 -4.92 117.46 111.88 1okd n PHE 104 Ca -0.02 -0.34 -0.31 0.00 -0.05 0.00 0.00 57.45 56.73 1okd n PHE 104 Cb 0.96 -0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 39.42 1okd n PHE 104 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1okd n ASN 105 N 0.85 -2.67 -4.55 4.37 0.23 -0.26 -4.76 115.26 108.47 1okd n ASN 105 Ca 0.16 -0.77 -0.38 0.00 -0.53 0.00 0.00 54.58 53.07 1okd n ASN 105 Cb 0.46 -2.25 -0.04 0.00 -2.08 0.00 0.00 39.78 35.87 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1okd n VAL 106 N -3.95 -0.01 -0.04 3.53 0.31 -0.97 -4.82 118.33 112.37 1okd n VAL 106 Ca 0.06 -0.68 -0.08 0.00 -0.01 0.00 0.00 64.34 63.63 1okd n VAL 106 Cb 0.49 -2.59 -0.03 0.00 -0.91 0.00 0.00 33.84 30.80 1okd n VAL 106 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1okd h GLU 107 N 18.24 -0.02 -1.65 5.55 4.57 -1.92 -3.46 114.58 135.89 1okd h GLU 107 Ca -0.26 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 57.99 1okd h GLU 107 Cb 1.27 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.64 1okd h GLU 107 CO 1.14 -0.01 0.51 -1.12 -1.18 0.00 0.00 179.01 178.35 1okd s SER 108 N -5.19 -0.40 0.56 1.04 0.01 -1.26 -5.17 113.70 103.29 1okd s SER 108 Ca -0.14 0.40 -0.13 0.00 1.31 0.00 0.00 55.95 57.39 1okd s SER 108 Cb 0.10 0.33 -0.06 0.00 0.21 0.00 0.00 66.02 66.61 1okd s SER 108 CO 0.68 -0.39 0.99 0.27 0.41 0.00 0.00 173.24 175.21 1okd s ILE 109 N -1.26 4.63 0.63 1.44 -5.25 -1.26 -4.41 121.20 115.72 1okd s ILE 109 Ca -0.02 1.01 -0.13 0.00 -0.99 0.00 0.00 60.65 60.52 1okd s ILE 109 Cb -0.00 -3.80 -0.02 0.00 2.95 0.00 0.00 42.46 41.59 1okd s ILE 109 CO 0.02 -0.91 1.05 -2.16 -1.79 0.00 0.00 174.94 171.15 1okd s PRO 110 N -4.60 3.27 0.18 0.37 0.04 -1.26 -4.72 135.00 128.27 1okd s PRO 110 Ca 0.56 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 1okd s PRO 110 Cb -0.10 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1okd s PRO 110 CO 0.42 -0.84 0.15 -0.08 0.04 0.00 0.00 177.00 176.70 1okd s THR 111 N -2.82 0.04 -0.12 1.26 -1.32 0.17 -4.97 115.64 107.88 1okd s THR 111 Ca 0.60 -1.84 -0.06 0.00 -1.21 0.00 0.00 61.69 59.18 1okd s THR 111 Cb -0.14 -2.24 0.05 0.00 -1.51 0.00 0.00 72.50 68.67 1okd s THR 111 CO 0.46 -0.20 0.27 -0.22 -2.21 0.00 0.00 174.62 172.72 1okd s LEU 112 N -3.09 0.24 0.07 9.08 2.96 -1.26 -1.43 118.68 125.24 1okd s LEU 112 Ca 0.30 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.84 1okd s LEU 112 Cb 0.06 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.53 1okd s LEU 112 CO 0.07 -0.18 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.16 1okd s ILE 113 N 1.46 1.02 -0.07 6.68 -1.09 -0.12 -2.12 121.20 126.95 1okd s ILE 113 Ca -0.08 -1.27 0.02 0.00 -2.23 0.00 0.00 60.65 57.10 1okd s ILE 113 Cb -0.10 -0.99 0.01 0.00 -1.58 0.00 0.00 42.46 39.80 1okd s ILE 113 CO -0.09 -0.25 -0.14 -0.83 -1.23 0.00 0.00 174.94 172.40 1okd s GLY 114 N -1.71 0.88 0.17 6.18 0.00 -1.07 0.96 107.32 112.73 1okd s GLY 114 Ca -0.03 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.21 1okd s GLY 114 CO 0.02 0.10 -0.04 -1.34 0.00 0.00 0.00 173.10 171.85 1okd s VAL 115 N 0.69 0.90 -0.32 1.40 -7.23 -0.89 -1.31 120.40 113.65 1okd s VAL 115 Ca -0.14 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 57.93 1okd s VAL 115 Cb -0.16 -2.05 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 1okd s VAL 115 CO 0.03 -0.56 0.15 1.51 -0.31 0.00 0.00 175.10 175.93 1okd s ASP 116 N -3.19 5.54 0.39 4.85 1.47 -1.23 -1.59 116.67 122.91 1okd s ASP 116 Ca 0.22 -0.61 0.06 0.00 1.18 0.00 0.00 52.55 53.39 1okd s ASP 116 Cb 0.05 -1.99 0.79 0.00 -0.34 0.00 0.00 42.92 41.42 1okd s ASP 116 CO 0.03 -0.22 2.04 0.00 0.68 0.00 0.00 175.17 177.69 1okd h ALA 117 N 8.35 1.67 0.52 2.11 0.00 -1.78 0.95 119.26 131.09 1okd h ALA 117 Ca -0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1okd h ALA 117 Cb 1.14 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1okd h ALA 117 CO 0.62 0.29 -0.25 0.22 0.00 0.00 0.00 179.25 180.14 1okd h ASP 118 N 0.66 -0.59 -0.29 0.00 3.58 -1.80 -3.32 116.42 114.64 1okd h ASP 118 Ca 0.19 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 1okd h ASP 118 Cb -0.03 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1okd h ASP 118 CO -0.04 -0.33 -0.13 0.28 -2.88 0.00 0.00 179.24 176.13 1okd h SER 119 N -0.88 0.62 0.00 2.28 0.02 -1.94 -3.42 113.55 110.23 1okd h SER 119 Ca -0.07 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1okd h SER 119 Cb 0.54 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1okd h SER 119 CO 0.12 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 1okd n GLY 120 N -0.06 2.98 3.36 -3.77 0.00 0.33 -4.53 105.19 103.50 1okd n GLY 120 Ca -0.03 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1okd n GLY 120 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1okd n ASP 121 N 1.67 -2.70 -4.74 1.61 2.03 -1.26 -4.49 116.55 108.68 1okd n ASP 121 Ca 0.00 -0.43 -0.41 0.00 0.52 0.00 0.00 54.79 54.48 1okd n ASP 121 Cb 0.00 -1.14 -0.05 0.00 -0.72 0.00 0.00 41.12 39.21 1okd n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1okd s VAL 122 N -2.28 4.47 -0.10 5.18 1.01 -1.26 -3.51 120.40 123.91 1okd s VAL 122 Ca 0.67 1.98 0.15 0.00 0.00 0.00 0.00 61.98 64.78 1okd s VAL 122 Cb -0.21 -4.28 -0.22 0.00 0.00 0.00 0.00 36.38 31.68 1okd s VAL 122 CO 0.62 0.36 0.18 0.52 0.00 0.00 0.00 175.10 176.78 1okd n VAL 123 N 2.56 0.64 -3.45 2.92 0.31 -1.09 -4.94 118.33 115.28 1okd n VAL 123 Ca 0.01 -0.55 -0.12 0.00 -0.01 0.00 0.00 64.34 63.66 1okd n VAL 123 Cb 0.49 -0.31 -0.03 0.00 -0.91 0.00 0.00 33.84 33.08 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 -2.68 0.00 0.06 2.52 -1.32 -0.42 -3.58 115.64 110.21 1okd s THR 124 Ca -0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1okd s THR 124 Cb 0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1okd s THR 124 CO 0.66 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 173.42 1okd n THR 125 N -0.13 0.20 -0.57 5.08 -2.24 -1.26 -2.58 114.28 112.77 1okd n THR 125 Ca -0.16 0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 1okd n THR 125 Cb 0.63 -1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.99 1.14 0.00 -0.78 0.00 -1.26 -4.17 116.66 108.60 1okd n ARG 126 Ca 0.00 -0.51 0.09 0.00 -0.00 0.00 0.00 57.85 57.43 1okd n ARG 126 Cb 0.17 -1.69 0.46 0.00 -0.00 0.00 0.00 32.46 31.39 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1okd n ALA 127 N 2.49 1.97 0.08 2.89 0.00 -0.90 -2.70 120.51 124.35 1okd n ALA 127 Ca 0.22 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1okd n ALA 127 Cb 0.53 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 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 0.00 0.41 0.07 0.00 1.12 -1.75 -3.09 114.38 111.14 1okd h ARG 128 Ca 0.00 -0.52 -0.20 0.00 -1.11 0.00 0.00 59.98 58.15 1okd h ARG 128 Cb 0.20 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 1okd h ARG 128 CO 0.00 1.18 -1.04 0.00 -3.11 0.00 0.00 179.97 177.01 1okd h ALA 129 N 0.62 0.13 0.21 2.80 0.00 -1.89 -3.37 119.26 117.76 1okd h ALA 129 Ca -0.11 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.84 1okd h ALA 129 Cb 1.74 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 1okd h ALA 129 CO 0.19 0.59 -0.17 1.79 0.00 0.00 0.00 179.25 181.65 1okd h THR 130 N -0.59 0.64 -0.80 0.00 1.35 -1.66 0.97 112.91 112.82 1okd h THR 130 Ca -0.24 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 65.83 1okd h THR 130 Cb 1.50 0.64 -0.05 0.00 -1.73 0.00 0.00 68.15 68.52 1okd h THR 130 CO 0.00 0.00 0.55 0.25 -0.25 0.00 0.00 175.52 176.07 1okd h LEU 131 N -0.39 0.20 0.13 3.87 5.85 -1.75 1.28 115.31 124.51 1okd h LEU 131 Ca -0.01 0.02 -0.36 0.00 0.84 0.00 0.00 57.88 58.37 1okd h LEU 131 Cb 0.35 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1okd h LEU 131 CO -0.01 0.09 -1.97 0.58 -0.34 0.00 0.00 178.44 176.79 1okd h VAL 132 N 0.21 0.66 -0.56 1.05 2.07 -1.61 -3.37 116.25 114.69 1okd h VAL 132 Ca 0.40 -2.37 -0.08 0.00 0.82 0.00 0.00 66.70 65.47 1okd h VAL 132 Cb 1.24 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 33.50 1okd h VAL 132 CO -0.08 0.89 0.10 0.29 0.02 0.00 0.00 177.57 178.78 1okd n LYS 133 N -3.48 4.02 -3.02 1.57 4.76 0.33 -4.40 118.16 117.95 1okd n LYS 133 Ca -0.31 -2.73 -0.15 0.00 -2.87 0.00 0.00 58.31 52.25 1okd n LYS 133 Cb 1.05 -2.15 0.01 0.00 -1.84 0.00 0.00 35.03 32.10 1okd n LYS 133 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1okd n ASP 134 N 0.29 -0.42 -0.66 4.39 -0.08 0.43 -4.87 116.55 115.64 1okd n ASP 134 Ca 0.29 -3.25 0.02 0.00 -1.51 0.00 0.00 54.79 50.33 1okd n ASP 134 Cb 1.16 0.35 0.07 0.00 2.34 0.00 0.00 41.12 45.04 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1okd n PRO 135 N 0.39 1.65 -0.09 -0.67 -0.04 -1.26 -3.51 135.00 131.47 1okd n PRO 135 Ca 0.18 -0.58 -0.10 0.00 -0.04 0.00 0.00 63.50 62.96 1okd n PRO 135 Cb 0.67 -1.53 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.07 0.95 -2.09 0.54 -0.58 -1.26 -5.01 120.64 113.27 1okd n GLU 136 Ca 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.79 1okd n GLU 136 Cb 0.36 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1okd n GLY 137 N 1.91 0.41 0.14 0.62 0.00 -1.23 -4.97 105.19 102.08 1okd n GLY 137 Ca -0.31 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.01 0.41 -0.33 1.61 5.08 -1.95 -3.39 114.58 115.99 1okd h GLU 138 Ca -0.02 -0.53 -0.22 0.00 -1.00 0.00 0.00 59.36 57.58 1okd h GLU 138 Cb 1.01 0.17 -0.36 0.00 0.50 0.00 0.00 28.75 30.08 1okd h GLU 138 CO 0.02 1.20 -0.98 1.04 -1.00 0.00 0.00 179.01 179.30 1okd n GLN 139 N -3.69 1.55 -0.32 2.33 1.13 -1.26 -4.97 117.38 112.15 1okd n GLN 139 Ca -0.09 -3.04 0.30 0.00 -1.94 0.00 0.00 57.00 52.23 1okd n GLN 139 Cb 0.93 -1.18 0.55 0.00 0.11 0.00 0.00 30.24 30.65 1okd n GLN 139 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1okd h PHE 140 N 2.24 0.71 0.00 1.08 -0.00 -1.93 3.37 116.94 122.42 1okd h PHE 140 Ca -0.20 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.82 1okd h PHE 140 Cb 1.31 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 37.12 1okd h PHE 140 CO 0.39 -0.47 0.00 -0.35 -0.00 0.00 0.00 178.31 177.88 1okd n PRO 141 N -5.29 0.52 -1.03 6.09 -0.04 -1.26 -4.84 135.00 129.16 1okd n PRO 141 Ca 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1okd n PRO 141 Cb 1.21 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 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 -0.63 0.00 -0.35 0.54 8.01 1.12 -4.40 117.44 121.74 1okd n TRP 142 Ca 0.03 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.03 1okd n TRP 142 Cb 0.01 0.00 0.17 0.00 -2.01 0.00 0.00 31.31 29.49 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 -0.23 -3.37 -0.97 -0.99 2.85 -1.24 -4.40 118.16 109.82 1okd n LYS 143 Ca 0.00 -0.95 0.08 0.00 -1.05 0.00 0.00 58.31 56.38 1okd n LYS 143 Cb 0.00 -1.12 -0.04 0.00 -0.65 0.00 0.00 35.03 33.21 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 -4.58 -3.71 -2.95 -5.58 2.03 -1.26 -4.93 116.55 95.56 1okd n ASP 144 Ca 0.09 0.70 -0.14 0.00 0.52 0.00 0.00 54.79 55.96 1okd n ASP 144 Cb 0.37 -3.17 0.02 0.00 -0.72 0.00 0.00 41.12 37.62 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1okd n ALA 145 N -3.59 0.47 1.37 -1.67 0.00 -1.26 -4.94 120.51 110.89 1okd n ALA 145 Ca -0.04 -2.36 0.02 0.00 0.00 0.00 0.00 53.44 51.05 1okd n ALA 145 Cb 0.32 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 0.86 1.35 -3.85 0.00 -0.04 -1.26 -4.71 135.00 127.35 1okd n PRO 146 Ca 0.15 -0.42 -0.26 0.00 -0.04 0.00 0.00 63.50 62.93 1okd n PRO 146 Cb 0.64 -1.24 -0.17 0.00 -0.04 0.00 0.00 33.50 32.68 1okd n PRO 146 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1okd s LEU 147 N -0.82 1.08 0.46 1.53 1.98 -1.26 -5.08 118.68 116.58 1okd s LEU 147 Ca 0.08 -0.33 0.00 0.00 -2.89 0.00 0.00 54.13 50.98 1okd s LEU 147 Cb 0.05 -0.72 0.00 0.00 0.66 0.00 0.00 46.19 46.17 1okd s LEU 147 CO 0.04 -0.16 0.00 -0.62 -1.89 0.00 0.00 176.35 173.72 1okd n GLU 148 N 5.00 -2.93 0.00 1.98 -0.58 -1.26 -5.11 120.64 117.74 1okd n GLU 148 Ca -0.11 2.21 0.00 0.00 -0.42 0.00 0.00 57.16 58.84 1okd n GLU 148 Cb 0.49 -3.48 0.00 0.00 -0.57 0.00 0.00 31.44 27.88 1okd n GLU 148 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23