#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 1.62 0.46 0.00 -1.78 -2.88 103.07 100.49 1okd h GLY 3 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1okd h GLY 3 CO 0.00 0.00 -0.17 1.41 0.00 0.00 0.00 176.54 177.78 1okd h LEU 4 N 0.00 0.45 -2.35 3.11 3.38 -1.89 -2.17 115.31 115.82 1okd h LEU 4 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1okd h LEU 4 Cb 0.67 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1okd h LEU 4 CO 0.03 0.64 -0.03 -0.78 0.09 0.00 0.00 178.44 178.39 1okd h ASP 5 N 0.42 0.00 0.07 -0.43 3.58 -1.83 -2.51 116.42 115.71 1okd h ASP 5 Ca 0.07 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.39 1okd h ASP 5 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1okd h ASP 5 CO 0.04 0.03 -0.62 0.11 -2.88 0.00 0.00 179.24 175.91 1okd h LYS 6 N 0.00 0.14 -0.87 0.28 1.57 -1.52 -3.29 116.57 112.88 1okd h LYS 6 Ca -0.00 -0.24 0.21 0.00 -1.87 0.00 0.00 60.65 58.75 1okd h LYS 6 Cb 0.08 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.36 1okd h LYS 6 CO 0.00 1.12 0.34 1.88 -0.57 0.00 0.00 179.45 182.22 1okd h TYR 7 N -0.68 0.55 -2.98 -1.35 0.05 -1.18 -3.13 116.97 108.27 1okd h TYR 7 Ca -0.13 0.04 -0.62 0.00 0.05 0.00 0.00 58.73 58.08 1okd h TYR 7 Cb 1.37 -0.11 -0.42 0.00 1.01 0.00 0.00 36.73 38.59 1okd h TYR 7 CO 0.21 -0.07 -0.61 1.28 -1.05 0.00 0.00 178.16 177.92 1okd n LEU 8 N -5.08 2.74 -4.71 3.88 4.32 -1.07 -4.52 117.00 112.55 1okd n LEU 8 Ca 0.20 -5.15 -0.33 0.00 -0.02 0.00 0.00 56.01 50.71 1okd n LEU 8 Cb 0.62 -0.63 0.11 0.00 -1.62 0.00 0.00 43.42 41.90 1okd n LEU 8 CO 0.12 1.78 0.76 -2.84 -1.22 0.00 0.00 177.39 176.00 1okd s PRO 9 N -1.39 1.83 -0.66 3.23 0.02 -1.18 -3.54 135.00 133.31 1okd s PRO 9 Ca 0.26 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1okd s PRO 9 Cb -0.02 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1okd s PRO 9 CO -0.17 -2.05 0.00 0.41 -0.33 0.00 0.00 177.00 174.86 1okd n GLY 10 N 0.25 0.35 2.89 0.52 0.00 -1.26 -4.97 105.19 102.96 1okd n GLY 10 Ca 0.13 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.33 0.97 -0.10 -0.61 1.01 -1.23 -4.98 121.20 113.92 1okd s ILE 11 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1okd s ILE 11 Cb 0.00 -1.04 -0.11 0.00 0.01 0.00 0.00 42.46 41.32 1okd s ILE 11 CO 0.00 0.30 0.01 -1.84 0.00 0.00 0.00 174.94 173.41 1okd n GLU 12 N 4.95 2.10 -4.24 2.79 0.28 -1.26 -5.00 120.64 120.27 1okd n GLU 12 Ca -0.12 0.01 -0.17 0.00 -0.16 0.00 0.00 57.16 56.72 1okd n GLU 12 Cb 0.50 -1.25 -0.14 0.00 1.43 0.00 0.00 31.44 31.98 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1okd s LYS 13 N -2.23 0.55 0.34 3.44 1.02 -1.26 -3.14 119.74 118.46 1okd s LYS 13 Ca -0.07 -0.27 0.07 0.00 0.02 0.00 0.00 55.97 55.72 1okd s LYS 13 Cb 0.03 -0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 1okd s LYS 13 CO 0.38 0.14 0.45 -0.51 -0.92 0.00 0.00 175.35 174.89 1okd s LEU 14 N -0.23 3.91 -0.74 3.17 1.43 -0.70 -4.90 118.68 120.63 1okd s LEU 14 Ca 0.02 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.64 1okd s LEU 14 Cb -0.03 -2.67 0.06 0.00 0.03 0.00 0.00 46.19 43.57 1okd s LEU 14 CO -0.00 -0.43 1.14 -0.13 0.23 0.00 0.00 176.35 177.15 1okd s ARG 15 N -4.15 3.22 0.20 1.70 0.52 -0.18 -1.70 118.95 118.56 1okd s ARG 15 Ca 0.45 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.99 1okd s ARG 15 Cb -0.09 -4.36 -0.03 0.00 0.52 0.00 0.00 34.95 30.99 1okd s ARG 15 CO 0.31 -1.97 0.32 0.50 0.02 0.00 0.00 175.30 174.47 1okd s ARG 16 N 4.67 3.40 0.00 3.54 6.06 -1.15 -1.75 118.95 133.71 1okd s ARG 16 Ca 0.30 -0.72 0.00 0.00 -2.50 0.00 0.00 55.73 52.81 1okd s ARG 16 Cb -0.11 -2.89 0.00 0.00 0.06 0.00 0.00 34.95 32.00 1okd s ARG 16 CO 0.09 0.46 0.20 0.41 -2.50 0.00 0.00 175.30 173.96 1okd n GLY 17 N -1.04 -1.47 0.10 8.12 0.00 0.07 -2.66 105.19 108.32 1okd n GLY 17 Ca -0.08 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 1okd n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1okd n ASP 18 N -0.48 -0.25 0.00 1.61 8.00 -1.26 -4.83 116.55 119.34 1okd n ASP 18 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1okd n ASP 18 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1okd n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1okd n GLY 19 N -1.06 -1.05 3.00 0.44 0.00 -1.09 -5.16 105.19 100.27 1okd n GLY 19 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1okd n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1okd s GLU 20 N -0.09 0.36 -0.06 1.61 2.02 -1.26 -2.94 118.70 118.33 1okd s GLU 20 Ca 0.00 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.37 1okd s GLU 20 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1okd s GLU 20 CO 0.00 -0.03 -0.18 0.08 0.02 0.00 0.00 175.26 175.15 1okd s VAL 21 N -1.51 1.52 0.68 2.63 1.01 -0.69 -4.78 120.40 119.27 1okd s VAL 21 Ca -0.14 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1okd s VAL 21 Cb -0.10 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1okd s VAL 21 CO -0.01 0.44 1.20 -1.61 0.00 0.00 0.00 175.10 175.12 1okd s GLU 22 N 0.26 2.44 0.37 2.72 0.41 -1.26 -1.71 118.70 121.92 1okd s GLU 22 Ca -0.10 1.76 0.14 0.00 -0.41 0.00 0.00 54.97 56.36 1okd s GLU 22 Cb -0.14 -1.87 0.72 0.00 -1.78 0.00 0.00 34.13 31.05 1okd s GLU 22 CO 0.04 -1.61 1.80 0.28 -0.49 0.00 0.00 175.26 175.28 1okd h VAL 23 N 0.08 1.18 -0.57 2.63 2.07 -1.94 -2.90 116.25 116.79 1okd h VAL 23 Ca -0.48 -1.39 0.17 0.00 0.82 0.00 0.00 66.70 65.81 1okd h VAL 23 Cb 1.29 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1okd h VAL 23 CO 0.52 0.38 0.53 0.50 0.02 0.00 0.00 177.57 179.53 1okd h LYS 24 N 0.00 0.00 0.00 1.57 3.64 -1.91 -0.00 116.57 119.86 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1okd h LYS 24 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1okd h LYS 24 CO 0.05 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.66 1okd n SER 25 N -3.86 0.00 -2.58 4.20 7.64 -1.10 -2.32 113.62 115.60 1okd n SER 25 Ca 0.11 0.33 -0.32 0.00 1.01 0.00 0.00 58.87 60.00 1okd n SER 25 Cb 0.76 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1okd n SER 25 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1okd n LEU 26 N -1.34 6.09 -4.12 -3.43 4.77 -0.02 -4.89 117.00 114.06 1okd n LEU 26 Ca 0.00 -4.94 -0.38 0.00 -0.03 0.00 0.00 56.01 50.67 1okd n LEU 26 Cb 0.01 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.29 1okd n LEU 26 CO 0.01 1.97 0.17 0.00 -1.33 0.00 0.00 177.39 178.21 1okd s ALA 27 N -3.78 3.82 0.00 -1.18 0.00 -0.98 -4.39 121.76 115.25 1okd s ALA 27 Ca 0.51 -3.44 0.00 0.00 0.00 0.00 0.00 51.96 49.04 1okd s ALA 27 Cb 0.43 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1okd s ALA 27 CO -0.24 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 173.79 1okd n GLY 28 N 3.21 1.24 3.19 0.00 0.00 -1.26 -4.93 105.19 106.63 1okd n GLY 28 Ca 0.12 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.82 1.11 -0.07 1.61 -2.85 -1.26 -4.88 119.74 112.57 1okd s LYS 29 Ca 0.00 -1.56 -0.14 0.00 -1.00 0.00 0.00 55.97 53.27 1okd s LYS 29 Cb 0.00 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.95 1okd s LYS 29 CO 0.00 -0.34 0.35 -1.17 0.10 0.00 0.00 175.35 174.29 1okd s LEU 30 N -3.13 4.38 -0.23 2.77 2.96 -1.26 -1.11 118.68 123.06 1okd s LEU 30 Ca 0.33 0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1okd s LEU 30 Cb 0.07 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.31 1okd s LEU 30 CO 0.08 0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.58 1okd s VAL 31 N -0.48 2.83 0.07 1.68 1.01 0.14 -0.91 120.40 124.74 1okd s VAL 31 Ca 0.21 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1okd s VAL 31 Cb -0.15 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1okd s VAL 31 CO 0.09 0.31 0.29 -0.36 0.00 0.00 0.00 175.10 175.43 1okd s PHE 32 N 1.35 3.53 -0.22 5.22 0.08 -0.25 -0.09 117.98 127.61 1okd s PHE 32 Ca 0.02 0.50 -0.03 0.00 0.12 0.00 0.00 56.93 57.53 1okd s PHE 32 Cb -0.15 -1.94 0.07 0.00 -0.57 0.00 0.00 43.02 40.42 1okd s PHE 32 CO -0.06 0.54 0.08 -0.06 -0.10 0.00 0.00 175.22 175.63 1okd s PHE 33 N -1.47 0.71 -0.42 0.36 0.40 3.86 0.60 117.98 122.02 1okd s PHE 33 Ca 0.34 -0.80 -0.17 0.00 -0.60 0.00 0.00 56.93 55.70 1okd s PHE 33 Cb -0.13 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.44 1okd s PHE 33 CO 0.22 -0.66 0.45 -0.47 0.70 0.00 0.00 175.22 175.46 1okd s TYR 34 N 1.96 3.17 -0.09 0.36 5.04 0.36 -1.90 117.35 126.25 1okd s TYR 34 Ca 0.03 -0.33 -0.23 0.00 -2.44 0.00 0.00 57.07 54.10 1okd s TYR 34 Cb -0.17 -2.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.20 1okd s TYR 34 CO -0.16 -0.69 0.69 -0.06 -1.34 0.00 0.00 175.55 173.99 1okd s PHE 35 N 2.17 3.54 0.01 4.97 0.08 0.16 -3.36 117.98 125.56 1okd s PHE 35 Ca 0.13 1.20 -0.29 0.00 0.12 0.00 0.00 56.93 58.09 1okd s PHE 35 Cb -0.17 -2.81 0.11 0.00 -0.57 0.00 0.00 43.02 39.59 1okd s PHE 35 CO 0.14 0.04 1.24 0.45 -0.10 0.00 0.00 175.22 176.99 1okd s SER 36 N 0.85 -0.06 0.12 1.36 0.15 -1.14 -1.36 113.70 113.61 1okd s SER 36 Ca 0.36 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.85 1okd s SER 36 Cb -0.17 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1okd s SER 36 CO 0.17 -0.40 -0.10 0.00 1.20 0.00 0.00 173.24 174.11 1okd s ALA 37 N -2.45 1.24 -1.77 5.45 0.00 -1.26 0.11 121.76 123.08 1okd s ALA 37 Ca 0.16 -1.33 0.30 0.00 0.00 0.00 0.00 51.96 51.10 1okd s ALA 37 Cb 0.03 0.05 1.57 0.00 0.00 0.00 0.00 23.12 24.77 1okd s ALA 37 CO -0.02 -0.08 2.06 -1.13 0.00 0.00 0.00 175.76 176.58 1okd n SER 38 N 0.20 0.22 0.00 0.00 3.41 -1.26 -3.55 113.62 112.63 1okd n SER 38 Ca -0.13 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1okd n SER 38 Cb 0.59 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.00 0.00 -1.15 7.33 4.27 -1.26 -5.02 117.44 120.61 1okd n TRP 39 Ca 0.18 -0.17 -0.29 0.00 -3.89 0.00 0.00 57.50 53.33 1okd n TRP 39 Cb 0.21 -0.02 0.16 0.00 -1.36 0.00 0.00 31.31 30.30 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 -1.79 -0.60 0.00 0.00 0.11 -1.96 -3.39 132.00 124.38 1okd h PRO 41 Ca -0.53 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1okd h PRO 41 Cb 1.31 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1okd h PRO 41 CO 0.56 -0.30 0.00 -2.30 -0.21 0.00 0.00 178.00 175.75 1okd n PRO 42 N -5.26 0.00 -0.09 1.05 -0.02 -1.26 -4.77 135.00 124.64 1okd n PRO 42 Ca -0.11 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1okd n PRO 42 Cb 0.30 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1okd n ARG 44 N -0.02 0.00 0.00 0.00 1.74 -1.26 -4.94 116.66 112.19 1okd n ARG 44 Ca 0.00 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 1okd n ARG 44 Cb 0.00 0.47 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1okd n GLY 45 N 0.00 0.00 0.73 -0.13 0.00 -1.26 -5.00 105.19 99.52 1okd n GLY 45 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -0.06 1.61 -0.00 -1.26 -4.93 117.46 112.82 1okd n PHE 46 Ca 0.00 -0.17 -0.05 0.00 -0.00 0.00 0.00 57.45 57.23 1okd n PHE 46 Cb 0.00 0.20 -0.02 0.00 -0.00 0.00 0.00 39.48 39.67 1okd n PHE 46 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1okd n THR 47 N 0.06 1.03 1.65 -2.13 -2.24 -1.26 -4.46 114.28 106.92 1okd n THR 47 Ca -0.06 0.27 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1okd n THR 47 Cb 0.66 -2.12 0.36 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.91 0.82 0.05 -0.78 -0.04 -1.26 -3.40 135.00 126.49 1okd n PRO 48 Ca -0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 1okd n PRO 48 Cb 0.28 -1.23 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.00 0.51 -0.22 0.54 1.08 -1.92 -3.10 115.11 112.00 1okd h GLN 49 Ca 0.00 -0.65 0.03 0.00 -1.45 0.00 0.00 58.65 56.58 1okd h GLN 49 Cb 0.00 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1okd h GLN 49 CO 0.00 1.27 0.03 1.25 -0.95 0.00 0.00 178.83 180.43 1okd h LEU 50 N 0.05 -0.03 -0.64 1.46 7.12 -1.80 -2.04 115.31 119.44 1okd h LEU 50 Ca -0.14 0.04 0.07 0.00 0.13 0.00 0.00 57.88 57.98 1okd h LEU 50 Cb 1.67 0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 41.80 1okd h LEU 50 CO 0.18 0.02 0.32 0.40 -0.13 0.00 0.00 178.44 179.23 1okd h ILE 51 N 0.10 0.90 -0.70 4.05 2.04 -1.75 0.63 117.51 122.79 1okd h ILE 51 Ca 0.10 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1okd h ILE 51 Cb 0.11 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1okd h ILE 51 CO -0.15 0.11 0.46 -0.08 0.00 0.00 0.00 178.15 178.49 1okd h GLU 52 N 0.58 0.85 -0.11 2.37 4.57 -1.36 0.96 114.58 122.44 1okd h GLU 52 Ca 0.30 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.22 1okd h GLU 52 Cb 0.25 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1okd h GLU 52 CO -0.22 0.56 -0.76 0.35 -1.18 0.00 0.00 179.01 177.76 1okd h PHE 53 N 0.87 0.80 0.14 0.92 3.57 -0.49 -2.97 116.94 119.77 1okd h PHE 53 Ca 0.27 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1okd h PHE 53 Cb 0.02 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1okd h PHE 53 CO -0.00 1.15 -0.07 -0.92 -2.23 0.00 0.00 178.31 176.24 1okd h TYR 54 N 0.40 -0.17 -0.28 0.41 5.03 -0.17 -2.98 116.97 119.20 1okd h TYR 54 Ca -0.04 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.34 1okd h TYR 54 Cb 1.37 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.69 1okd h TYR 54 CO 0.06 0.20 0.29 -0.44 -1.32 0.00 0.00 178.16 176.96 1okd h ASP 55 N -0.59 0.00 0.51 -2.11 5.19 -0.92 0.75 116.42 119.25 1okd h ASP 55 Ca -0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1okd h ASP 55 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1okd h ASP 55 CO 0.03 0.00 -0.27 0.11 -3.12 0.00 0.00 179.24 175.99 1okd h LYS 56 N 0.00 -0.69 0.00 3.56 1.79 -1.36 -3.43 116.57 116.44 1okd h LYS 56 Ca 0.13 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1okd h LYS 56 Cb 0.70 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1okd h LYS 56 CO -0.00 -0.46 0.00 1.19 -1.08 0.00 0.00 179.45 179.10 1okd n PHE 57 N -4.00 0.00 -0.02 -1.35 3.72 -1.10 -4.88 117.46 109.82 1okd n PHE 57 Ca -0.09 0.00 0.24 0.00 -0.05 0.00 0.00 57.45 57.55 1okd n PHE 57 Cb 0.29 0.03 0.71 0.00 -0.94 0.00 0.00 39.48 39.56 1okd n PHE 57 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1okd h HIS 58 N 0.00 0.00 -0.02 1.38 3.86 -1.01 0.85 115.15 120.20 1okd h HIS 58 Ca 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1okd h HIS 58 Cb 0.66 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 1okd h HIS 58 CO 0.00 0.00 -0.57 0.93 0.86 0.00 0.00 177.93 179.15 1okd h GLU 59 N 0.00 0.08 0.00 2.45 5.08 -1.90 0.15 114.58 120.44 1okd h GLU 59 Ca 0.30 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1okd h GLU 59 Cb 1.50 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1okd h GLU 59 CO -0.00 0.63 -0.39 0.77 -1.00 0.00 0.00 179.01 179.01 1okd h SER 60 N 0.06 0.00 0.48 1.42 0.02 0.28 -3.32 113.55 112.49 1okd h SER 60 Ca -0.00 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1okd h SER 60 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1okd h SER 60 CO 0.08 1.07 0.00 2.29 -1.14 0.00 0.00 176.83 179.13 1okd n LYS 61 N -4.58 0.25 -3.60 3.45 2.85 -0.25 -4.94 118.16 111.35 1okd n LYS 61 Ca -0.15 0.09 -0.27 0.00 -1.05 0.00 0.00 58.31 56.93 1okd n LYS 61 Cb 0.47 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.36 1okd n LYS 61 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1okd n ASN 62 N -1.33 -5.44 -4.59 -5.58 6.94 0.52 -4.82 115.26 100.95 1okd n ASN 62 Ca 0.09 -0.56 -0.27 0.00 -0.02 0.00 0.00 54.58 53.82 1okd n ASN 62 Cb 0.19 -2.14 -0.11 0.00 -2.36 0.00 0.00 39.78 35.37 1okd n ASN 62 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1okd s PHE 63 N -2.48 2.36 -0.01 -2.53 0.08 -1.12 -4.35 117.98 109.92 1okd s PHE 63 Ca 0.14 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.44 1okd s PHE 63 Cb -0.02 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1okd s PHE 63 CO 0.87 0.34 -0.03 -2.00 -0.10 0.00 0.00 175.22 174.31 1okd s GLU 64 N -3.76 0.31 -0.19 0.44 2.56 -0.08 -4.95 118.70 113.03 1okd s GLU 64 Ca 0.33 -0.10 -0.04 0.00 0.00 0.00 0.00 54.97 55.16 1okd s GLU 64 Cb 0.09 -0.32 -0.02 0.00 2.00 0.00 0.00 34.13 35.88 1okd s GLU 64 CO 0.16 0.04 -0.03 0.08 -0.56 0.00 0.00 175.26 174.95 1okd s VAL 65 N 0.09 3.64 -0.06 3.70 1.01 -1.26 -1.08 120.40 126.43 1okd s VAL 65 Ca -0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1okd s VAL 65 Cb -0.03 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1okd s VAL 65 CO -0.00 0.44 0.25 -0.69 0.00 0.00 0.00 175.10 175.10 1okd s VAL 66 N 1.02 5.32 -0.56 2.92 1.01 0.20 -3.12 120.40 127.19 1okd s VAL 66 Ca 0.01 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 1okd s VAL 66 Cb -0.15 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.83 1okd s VAL 66 CO 0.01 0.56 0.56 0.12 0.00 0.00 0.00 175.10 176.35 1okd s PHE 67 N -1.10 3.19 -0.52 5.22 2.19 0.71 -3.27 117.98 124.40 1okd s PHE 67 Ca 0.20 -1.22 -0.17 0.00 0.33 0.00 0.00 56.93 56.08 1okd s PHE 67 Cb -0.14 -3.86 0.09 0.00 -1.31 0.00 0.00 43.02 37.81 1okd s PHE 67 CO 0.09 -1.10 0.52 0.00 1.83 0.00 0.00 175.22 176.57 1okd s THR 69 N 1.98 2.23 -0.22 0.00 -1.32 -1.26 -2.89 115.64 114.17 1okd s THR 69 Ca 0.07 0.08 0.20 0.00 -1.21 0.00 0.00 61.69 60.82 1okd s THR 69 Cb -0.25 -2.43 0.45 0.00 -1.51 0.00 0.00 72.50 68.75 1okd s THR 69 CO 0.06 -0.10 1.20 0.79 -2.21 0.00 0.00 174.62 174.37 1okd n TRP 70 N -4.29 0.30 -3.00 9.09 7.02 0.31 -4.60 117.44 122.27 1okd n TRP 70 Ca 0.06 -1.68 -0.18 0.00 -1.02 0.00 0.00 57.50 54.68 1okd n TRP 70 Cb 0.56 0.19 0.03 0.00 -2.42 0.00 0.00 31.31 29.66 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 -2.80 5.46 -0.11 -0.99 1.11 -1.26 -4.54 116.67 113.54 1okd s ASP 71 Ca 0.23 -0.53 0.11 0.00 0.18 0.00 0.00 52.55 52.54 1okd s ASP 71 Cb 0.34 -0.37 -0.15 0.00 1.07 0.00 0.00 42.92 43.81 1okd s ASP 71 CO -0.08 -0.97 0.07 -1.84 1.18 0.00 0.00 175.17 173.53 1okd n GLU 72 N -2.00 1.87 -4.18 8.23 0.28 -1.26 -5.01 120.64 118.57 1okd n GLU 72 Ca 0.10 -0.02 -0.28 0.00 -0.16 0.00 0.00 57.16 56.81 1okd n GLU 72 Cb 0.60 -1.31 -0.08 0.00 1.43 0.00 0.00 31.44 32.08 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1okd s GLU 73 N -2.35 2.43 0.37 3.44 2.56 -1.26 -5.02 118.70 118.86 1okd s GLU 73 Ca -0.06 -1.00 0.19 0.00 0.00 0.00 0.00 54.97 54.10 1okd s GLU 73 Cb 0.04 -2.42 0.63 0.00 2.00 0.00 0.00 34.13 34.38 1okd s GLU 73 CO 0.50 0.49 1.71 0.93 -0.56 0.00 0.00 175.26 178.33 1okd h GLU 74 N 3.05 0.00 -0.76 4.30 5.08 -2.00 -3.20 114.58 121.04 1okd h GLU 74 Ca -0.48 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1okd h GLU 74 Cb 1.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1okd h GLU 74 CO 0.58 0.38 0.43 0.22 -1.00 0.00 0.00 179.01 179.61 1okd h ASP 75 N 0.00 0.62 0.42 1.42 1.82 -1.99 -0.91 116.42 117.81 1okd h ASP 75 Ca -0.00 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1okd h ASP 75 Cb 0.94 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1okd h ASP 75 CO 0.05 0.38 -0.20 1.23 -1.61 0.00 0.00 179.24 179.08 1okd h GLY 76 N 0.75 -0.60 1.12 -0.78 0.00 -1.95 -1.43 103.07 100.19 1okd h GLY 76 Ca 0.36 0.22 0.10 0.00 0.00 0.00 0.00 47.33 48.01 1okd h GLY 76 CO -0.22 -0.22 0.34 -2.75 0.00 0.00 0.00 176.54 173.69 1okd h PHE 77 N -0.89 0.00 0.04 5.60 3.57 -1.61 -0.46 116.94 123.18 1okd h PHE 77 Ca -0.06 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1okd h PHE 77 Cb 0.56 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1okd h PHE 77 CO 0.01 0.00 -0.02 0.00 -2.23 0.00 0.00 178.31 176.08 1okd h ALA 78 N 1.66 -0.05 0.00 2.41 0.00 -1.02 -2.58 119.26 119.68 1okd h ALA 78 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1okd h ALA 78 Cb 0.85 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1okd h ALA 78 CO -0.00 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1okd n GLY 79 N 1.37 -0.87 0.50 0.00 0.00 -0.55 0.35 105.19 105.98 1okd n GLY 79 Ca -0.07 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.21 0.00 -0.02 1.61 9.36 -0.23 -4.37 117.16 121.30 1okd n TYR 80 Ca -0.01 0.00 0.24 0.00 3.32 0.00 0.00 57.90 61.45 1okd n TYR 80 Cb 0.04 -0.03 0.66 0.00 -0.63 0.00 0.00 39.34 39.39 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 2.44 0.00 0.00 2.98 3.57 0.31 0.25 116.94 126.49 1okd h PHE 81 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1okd h PHE 81 Cb 0.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1okd h PHE 81 CO 0.00 0.00 0.12 0.00 -2.23 0.00 0.00 178.31 176.20 1okd h ALA 82 N 1.21 1.10 -2.15 2.41 0.00 -1.78 -3.44 119.26 116.62 1okd h ALA 82 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 1okd h ALA 82 Cb 1.70 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.59 1okd h ALA 82 CO -0.00 -0.10 -0.09 0.36 0.00 0.00 0.00 179.25 179.42 1okd n LYS 83 N -2.67 -1.55 -1.78 0.00 2.85 0.89 -4.85 118.16 111.06 1okd n LYS 83 Ca -0.02 -0.70 -0.41 0.00 -1.05 0.00 0.00 58.31 56.13 1okd n LYS 83 Cb 0.16 -1.33 -0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1okd n LYS 83 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1okd n MET 84 N -1.67 2.71 0.01 -1.58 2.81 -1.26 -4.93 117.12 113.20 1okd n MET 84 Ca 0.07 0.95 0.12 0.00 -1.81 0.00 0.00 57.70 57.02 1okd n MET 84 Cb 0.29 -2.69 0.15 0.00 -0.71 0.00 0.00 33.22 30.26 1okd n MET 84 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1okd n PRO 85 N 0.47 0.06 0.00 0.03 -0.04 -1.26 -4.74 135.00 129.52 1okd n PRO 85 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1okd n PRO 85 Cb 0.39 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.60 0.00 -3.78 0.54 2.14 -1.26 -0.75 117.44 112.73 1okd n TRP 86 Ca 0.05 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.47 1okd n TRP 86 Cb 0.35 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.70 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 -1.17 1.14 -0.11 5.67 1.43 -1.18 -3.98 118.68 120.48 1okd s LEU 87 Ca 0.00 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1okd s LEU 87 Cb 0.00 0.01 0.04 0.00 0.03 0.00 0.00 46.19 46.27 1okd s LEU 87 CO 0.00 -0.12 0.28 0.00 0.23 0.00 0.00 176.35 176.75 1okd s ALA 88 N 0.94 -0.69 -0.10 4.21 0.00 -0.72 -0.21 121.76 125.19 1okd s ALA 88 Ca -0.08 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1okd s ALA 88 Cb -0.11 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1okd s ALA 88 CO -0.03 -0.17 1.39 0.08 0.00 0.00 0.00 175.76 177.02 1okd s VAL 89 N 0.73 3.99 0.67 0.00 1.01 -1.25 -1.01 120.40 124.54 1okd s VAL 89 Ca -0.05 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.01 1okd s VAL 89 Cb -0.06 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1okd s VAL 89 CO -0.05 -0.08 1.20 -2.16 0.00 0.00 0.00 175.10 174.01 1okd s PRO 90 N 3.35 2.53 0.55 2.72 0.04 -1.26 -4.84 135.00 138.08 1okd s PRO 90 Ca 0.61 1.73 0.37 0.00 0.04 0.00 0.00 61.00 63.76 1okd s PRO 90 Cb -0.27 -1.88 1.55 0.00 0.04 0.00 0.00 34.50 33.94 1okd s PRO 90 CO 0.21 -1.53 1.79 0.35 0.04 0.00 0.00 177.00 177.86 1okd h PHE 91 N 0.17 0.00 -0.87 0.56 3.57 -2.00 0.21 116.94 118.57 1okd h PHE 91 Ca -0.49 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.15 1okd h PHE 91 Cb 1.29 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 1okd h PHE 91 CO 0.48 0.00 0.56 0.00 -2.23 0.00 0.00 178.31 177.12 1okd h ALA 92 N 1.38 1.81 -0.65 2.41 0.00 -2.02 -2.13 119.26 120.06 1okd h ALA 92 Ca 0.57 0.01 -0.44 0.00 0.00 0.00 0.00 54.91 55.05 1okd h ALA 92 Cb 2.31 -0.14 -0.28 0.00 0.00 0.00 0.00 17.79 19.68 1okd h ALA 92 CO -0.01 -0.03 -0.23 1.04 0.00 0.00 0.00 179.25 180.02 1okd n GLN 93 N -4.55 2.79 0.28 0.00 1.13 0.72 -4.70 117.38 113.06 1okd n GLN 93 Ca 0.16 -3.66 0.14 0.00 -1.94 0.00 0.00 57.00 51.71 1okd n GLN 93 Cb 0.43 -2.11 0.83 0.00 0.11 0.00 0.00 30.24 29.50 1okd n GLN 93 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1okd h SER 94 N 1.73 0.00 -0.70 1.08 0.02 -1.35 -1.77 113.55 112.56 1okd h SER 94 Ca 0.36 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.48 1okd h SER 94 Cb 1.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 1okd h SER 94 CO 0.79 0.05 0.49 -0.08 -1.14 0.00 0.00 176.83 176.94 1okd h GLU 95 N 0.00 0.21 -0.88 3.45 4.81 -1.84 0.87 114.58 121.20 1okd h GLU 95 Ca -0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1okd h GLU 95 Cb 0.14 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1okd h GLU 95 CO 0.01 0.14 0.57 0.00 -0.73 0.00 0.00 179.01 178.99 1okd h ALA 96 N 1.66 1.16 -0.34 2.92 0.00 -1.65 -1.40 119.26 121.61 1okd h ALA 96 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1okd h ALA 96 Cb 1.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1okd h ALA 96 CO -0.07 0.42 0.23 0.28 0.00 0.00 0.00 179.25 180.11 1okd h VAL 97 N 1.11 1.07 -0.13 0.00 2.07 -0.98 1.86 116.25 121.25 1okd h VAL 97 Ca 0.35 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.61 1okd h VAL 97 Cb -0.00 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1okd h VAL 97 CO -0.12 0.08 -0.34 1.56 0.02 0.00 0.00 177.57 178.78 1okd h GLN 98 N 0.44 0.46 0.22 1.57 1.08 -1.23 -1.16 115.11 116.49 1okd h GLN 98 Ca 0.13 -0.32 -0.33 0.00 -1.45 0.00 0.00 58.65 56.68 1okd h GLN 98 Cb -0.02 0.05 0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1okd h GLN 98 CO -0.03 0.93 -1.49 0.87 -0.95 0.00 0.00 178.83 178.16 1okd h LYS 99 N 0.05 0.46 0.00 1.46 1.79 -0.91 -3.06 116.57 116.36 1okd h LYS 99 Ca -0.01 -0.78 -0.07 0.00 -2.18 0.00 0.00 60.65 57.61 1okd h LYS 99 Cb 0.95 0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1okd h LYS 99 CO 0.07 1.37 -0.36 1.25 -1.08 0.00 0.00 179.45 180.71 1okd h LEU 100 N 0.13 0.00 -0.06 2.94 5.85 0.28 -2.73 115.31 121.71 1okd h LEU 100 Ca -0.25 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.22 1okd h LEU 100 Cb 2.12 0.00 0.02 0.00 0.37 0.00 0.00 40.66 43.17 1okd h LEU 100 CO 0.24 0.36 -0.93 0.28 -0.34 0.00 0.00 178.44 178.05 1okd h SER 101 N 0.00 0.93 0.22 1.25 0.02 -1.28 -3.18 113.55 111.51 1okd h SER 101 Ca -0.00 -0.69 -0.05 0.00 -0.84 0.00 0.00 61.79 60.20 1okd h SER 101 Cb 0.72 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1okd h SER 101 CO 0.05 1.49 -0.23 0.50 -1.14 0.00 0.00 176.83 177.49 1okd h LYS 102 N 0.45 0.02 -0.89 3.45 1.63 -1.41 -2.53 116.57 117.29 1okd h LYS 102 Ca -0.10 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1okd h LYS 102 Cb 1.57 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.15 1okd h LYS 102 CO 0.19 0.25 0.58 1.25 -3.45 0.00 0.00 179.45 178.27 1okd h HIS 103 N 0.02 1.06 -0.48 1.91 2.76 -1.47 -0.28 115.15 118.68 1okd h HIS 103 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1okd h HIS 103 Cb 0.42 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1okd h HIS 103 CO 0.00 0.60 0.00 1.19 -1.30 0.00 0.00 177.93 178.42 1okd n PHE 104 N -4.46 1.28 -4.31 5.26 3.72 -0.98 -4.92 117.46 113.05 1okd n PHE 104 Ca 0.12 -0.48 -0.36 0.00 -0.05 0.00 0.00 57.45 56.68 1okd n PHE 104 Cb 0.14 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.35 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 0.70 -1.58 -4.54 4.37 6.94 -0.12 -4.72 115.26 116.30 1okd n ASN 105 Ca 0.20 -1.14 -0.30 0.00 -0.02 0.00 0.00 54.58 53.32 1okd n ASN 105 Cb 0.79 -2.19 -0.07 0.00 -2.36 0.00 0.00 39.78 35.96 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1okd n VAL 106 N -4.32 -0.05 -0.18 3.53 0.31 -1.05 -4.77 118.33 111.79 1okd n VAL 106 Ca -0.04 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1okd n VAL 106 Cb 0.54 -2.18 0.25 0.00 -0.91 0.00 0.00 33.84 31.54 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 16.48 0.92 -1.40 5.55 4.39 -1.92 -3.46 114.58 135.14 1okd h GLU 107 Ca -0.14 -0.08 0.16 0.00 0.34 0.00 0.00 59.36 59.64 1okd h GLU 107 Cb 1.19 -0.20 -0.24 0.00 -0.10 0.00 0.00 28.75 29.41 1okd h GLU 107 CO 1.17 0.65 0.71 -1.54 -1.16 0.00 0.00 179.01 178.84 1okd s SER 108 N -6.43 -0.23 0.50 1.42 1.04 -1.26 -5.17 113.70 103.57 1okd s SER 108 Ca -0.10 0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 1okd s SER 108 Cb 0.17 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1okd s SER 108 CO 0.78 -0.23 0.84 0.27 0.98 0.00 0.00 173.24 175.88 1okd s ILE 109 N -1.26 4.85 0.29 -1.02 -0.00 -1.26 -4.48 121.20 118.31 1okd s ILE 109 Ca 0.03 0.41 -0.08 0.00 -0.00 0.00 0.00 60.65 61.01 1okd s ILE 109 Cb -0.01 -3.85 -0.06 0.00 -0.00 0.00 0.00 42.46 38.54 1okd s ILE 109 CO -0.03 -0.88 0.59 -2.16 -0.00 0.00 0.00 174.94 172.46 1okd s PRO 110 N -4.74 3.72 0.14 0.37 0.04 -1.26 -4.93 135.00 128.34 1okd s PRO 110 Ca 0.50 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1okd s PRO 110 Cb -0.10 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1okd s PRO 110 CO 0.45 0.21 0.02 -0.08 0.04 0.00 0.00 177.00 177.64 1okd s THR 111 N -2.04 0.37 -0.12 1.26 -1.32 -0.47 -4.96 115.64 108.37 1okd s THR 111 Ca 0.46 -1.93 -0.05 0.00 -1.21 0.00 0.00 61.69 58.96 1okd s THR 111 Cb -0.11 -2.01 0.06 0.00 -1.51 0.00 0.00 72.50 68.93 1okd s THR 111 CO 0.27 -0.54 0.27 -0.22 -2.21 0.00 0.00 174.62 172.19 1okd s LEU 112 N -3.09 0.06 0.07 9.08 2.96 -1.26 0.41 118.68 126.91 1okd s LEU 112 Ca 0.22 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 1okd s LEU 112 Cb 0.07 0.80 -0.03 0.00 0.50 0.00 0.00 46.19 47.53 1okd s LEU 112 CO 0.01 -0.20 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.15 1okd s ILE 113 N 1.75 0.57 0.00 6.68 1.01 -0.80 0.13 121.20 130.55 1okd s ILE 113 Ca -0.05 -1.53 0.06 0.00 0.00 0.00 0.00 60.65 59.13 1okd s ILE 113 Cb -0.11 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1okd s ILE 113 CO -0.09 -0.66 -0.18 -0.83 0.00 0.00 0.00 174.94 173.17 1okd s GLY 114 N -2.36 0.91 0.17 6.18 0.00 -1.26 0.92 107.32 111.88 1okd s GLY 114 Ca 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.93 1okd s GLY 114 CO -0.03 -0.72 -0.03 -1.34 0.00 0.00 0.00 173.10 170.98 1okd s VAL 115 N -0.52 0.88 -0.26 1.40 -7.23 0.87 -1.62 120.40 113.92 1okd s VAL 115 Ca 0.07 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 1okd s VAL 115 Cb -0.07 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1okd s VAL 115 CO -0.00 -0.55 0.33 -1.81 -0.31 0.00 0.00 175.10 172.75 1okd s ASP 116 N -3.19 6.23 0.17 4.85 1.11 -1.03 0.26 116.67 125.07 1okd s ASP 116 Ca 0.22 0.26 -0.06 0.00 0.18 0.00 0.00 52.55 53.15 1okd s ASP 116 Cb 0.05 -2.19 0.03 0.00 1.07 0.00 0.00 42.92 41.88 1okd s ASP 116 CO 0.03 -0.12 1.46 0.00 1.18 0.00 0.00 175.17 177.72 1okd h ALA 117 N 8.01 0.60 0.52 5.23 0.00 -1.39 0.41 119.26 132.65 1okd h ALA 117 Ca -0.33 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.03 1okd h ALA 117 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1okd h ALA 117 CO 0.64 0.69 -0.35 0.22 0.00 0.00 0.00 179.25 180.45 1okd h ASP 118 N 0.51 -0.91 0.64 0.00 3.58 -1.77 -3.12 116.42 115.35 1okd h ASP 118 Ca 0.01 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 1okd h ASP 118 Cb 1.14 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 1okd h ASP 118 CO 0.11 -0.52 -0.75 0.28 -2.88 0.00 0.00 179.24 175.48 1okd h SER 119 N -0.83 0.10 -0.52 2.28 0.02 -1.95 -3.45 113.55 109.20 1okd h SER 119 Ca -0.07 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 1okd h SER 119 Cb 0.68 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1okd h SER 119 CO 0.05 0.81 -0.10 0.61 -1.14 0.00 0.00 176.83 177.06 1okd n GLY 120 N 0.59 0.31 3.36 -3.77 0.00 0.14 -4.68 105.19 101.15 1okd n GLY 120 Ca -0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.84 2.77 0.09 1.61 -1.08 -1.17 -4.35 116.67 111.69 1okd s ASP 121 Ca 0.00 -0.97 -0.31 0.00 -0.52 0.00 0.00 52.55 50.75 1okd s ASP 121 Cb 0.00 -0.17 -0.08 0.00 -1.46 0.00 0.00 42.92 41.21 1okd s ASP 121 CO 0.00 -0.09 1.57 -0.69 0.52 0.00 0.00 175.17 176.48 1okd s VAL 122 N -2.61 3.06 -0.16 1.11 1.01 -1.26 -2.47 120.40 119.07 1okd s VAL 122 Ca 0.22 0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1okd s VAL 122 Cb -0.03 -3.39 -0.14 0.00 0.00 0.00 0.00 36.38 32.82 1okd s VAL 122 CO 0.08 0.01 -0.06 0.52 0.00 0.00 0.00 175.10 175.66 1okd n VAL 123 N 4.46 0.98 -4.25 2.92 0.31 -1.20 -4.92 118.33 116.62 1okd n VAL 123 Ca 0.15 -0.48 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 1okd n VAL 123 Cb 0.41 -0.89 -0.10 0.00 -0.91 0.00 0.00 33.84 32.35 1okd n VAL 123 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1okd s THR 124 N -2.34 0.40 -0.34 2.52 -4.23 -0.64 -3.97 115.64 107.03 1okd s THR 124 Ca -0.16 -1.99 0.14 0.00 -1.18 0.00 0.00 61.69 58.51 1okd s THR 124 Cb 0.05 -2.43 0.42 0.00 1.34 0.00 0.00 72.50 71.89 1okd s THR 124 CO 0.48 -0.15 1.46 0.35 -0.54 0.00 0.00 174.62 176.22 1okd n THR 125 N -0.33 0.18 -2.62 3.99 -2.24 -1.26 -4.11 114.28 107.89 1okd n THR 125 Ca -0.02 -1.34 -0.02 0.00 -2.27 0.00 0.00 64.05 60.40 1okd n THR 125 Cb 0.65 1.03 0.06 0.00 -2.10 0.00 0.00 70.33 69.98 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 -1.30 0.73 0.00 -0.78 -4.01 -1.25 -4.98 116.66 105.07 1okd n ARG 126 Ca -0.13 -0.85 0.12 0.00 -1.04 0.00 0.00 57.85 55.95 1okd n ARG 126 Cb 0.87 0.15 0.66 0.00 -3.04 0.00 0.00 32.46 31.10 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 -0.76 2.30 0.00 2.89 0.00 0.35 -3.19 120.51 122.10 1okd n ALA 127 Ca -0.12 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 1okd n ALA 127 Cb 0.72 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 0.65 0.02 0.00 1.12 -1.81 -2.71 114.38 111.65 1okd h ARG 128 Ca 0.00 -0.51 -0.13 0.00 -1.11 0.00 0.00 59.98 58.23 1okd h ARG 128 Cb 0.12 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1okd h ARG 128 CO 0.00 1.13 -0.68 0.00 -3.11 0.00 0.00 179.97 177.31 1okd h ALA 129 N 0.73 0.11 -0.44 2.80 0.00 -1.88 -3.37 119.26 117.22 1okd h ALA 129 Ca -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 54.91 54.05 1okd h ALA 129 Cb 1.33 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1okd h ALA 129 CO 0.14 0.38 0.25 1.79 0.00 0.00 0.00 179.25 181.81 1okd h THR 130 N -0.88 1.02 -0.88 0.00 1.35 -1.68 1.24 112.91 113.07 1okd h THR 130 Ca -0.17 -0.17 0.18 0.00 -0.55 0.00 0.00 66.41 65.70 1okd h THR 130 Cb 1.24 0.48 -0.07 0.00 -1.73 0.00 0.00 68.15 68.07 1okd h THR 130 CO -0.06 0.09 0.58 0.25 -0.25 0.00 0.00 175.52 176.12 1okd h LEU 131 N 0.50 0.47 0.11 3.87 6.46 -1.67 2.06 115.31 127.10 1okd h LEU 131 Ca 0.18 0.04 -0.35 0.00 -0.12 0.00 0.00 57.88 57.63 1okd h LEU 131 Cb 0.05 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1okd h LEU 131 CO -0.10 0.21 -1.94 0.52 -0.62 0.00 0.00 178.44 176.50 1okd n VAL 132 N -4.53 1.76 -1.04 1.05 0.31 -0.74 -4.32 118.33 110.82 1okd n VAL 132 Ca 0.18 -0.68 0.02 0.00 -0.01 0.00 0.00 64.34 63.85 1okd n VAL 132 Cb 0.62 -1.62 0.30 0.00 -0.91 0.00 0.00 33.84 32.23 1okd n VAL 132 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1okd n LYS 133 N -3.41 3.56 -3.02 5.55 4.76 0.42 -4.59 118.16 121.42 1okd n LYS 133 Ca -0.29 -3.05 -0.15 0.00 -2.87 0.00 0.00 58.31 51.95 1okd n LYS 133 Cb 1.05 -2.08 0.01 0.00 -1.84 0.00 0.00 35.03 32.17 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 -0.20 -0.36 -1.37 4.39 -0.08 0.69 -4.82 116.55 114.79 1okd n ASP 134 Ca 0.31 -3.25 -0.02 0.00 -1.51 0.00 0.00 54.79 50.32 1okd n ASP 134 Cb 1.16 0.32 0.16 0.00 2.34 0.00 0.00 41.12 45.10 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 0.36 2.48 -0.06 -0.67 -0.04 -1.26 -3.95 135.00 131.86 1okd n PRO 135 Ca 0.18 -1.58 -0.08 0.00 -0.04 0.00 0.00 63.50 61.98 1okd n PRO 135 Cb 0.67 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.96 -1.02 0.54 -0.58 -1.26 -5.04 120.64 114.31 1okd n GLU 136 Ca 0.20 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1okd n GLU 136 Cb 0.88 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 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 2.67 1.16 0.13 0.62 0.00 -1.25 -5.01 105.19 103.52 1okd n GLY 137 Ca -0.22 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 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 0.39 -0.35 1.61 4.39 -1.96 -3.39 114.58 115.26 1okd h GLU 138 Ca 0.00 -0.47 -0.25 0.00 0.34 0.00 0.00 59.36 58.98 1okd h GLU 138 Cb 0.49 0.15 -0.39 0.00 -0.10 0.00 0.00 28.75 28.90 1okd h GLU 138 CO 0.00 1.15 -1.06 1.04 -1.16 0.00 0.00 179.01 178.98 1okd n GLN 139 N -4.18 1.52 -0.32 2.33 6.02 -1.26 -4.96 117.38 116.54 1okd n GLN 139 Ca -0.11 -3.24 0.29 0.00 -0.01 0.00 0.00 57.00 53.93 1okd n GLN 139 Cb 0.73 -1.33 0.55 0.00 1.02 0.00 0.00 30.24 31.21 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 -0.39 1.09 0.79 1.08 -1.74 -1.26 0.29 117.46 117.31 1okd n PHE 140 Ca 0.10 1.16 0.03 0.00 -0.56 0.00 0.00 57.45 58.18 1okd n PHE 140 Cb 0.89 -1.52 0.17 0.00 1.52 0.00 0.00 39.48 40.53 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 -5.23 0.39 -0.82 3.97 -0.04 -1.26 -4.82 135.00 127.19 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 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.72 0.00 -0.76 0.54 8.01 0.83 -4.40 117.44 120.94 1okd n TRP 142 Ca 0.04 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.03 1okd n TRP 142 Cb 0.02 0.00 0.18 0.00 -2.01 0.00 0.00 31.31 29.50 1okd n TRP 142 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1okd n LYS 143 N -0.19 -2.73 -0.02 -0.99 5.02 -1.26 -4.41 118.16 113.58 1okd n LYS 143 Ca 0.00 -1.17 0.05 0.00 -2.02 0.00 0.00 58.31 55.18 1okd n LYS 143 Cb 0.00 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 1okd n LYS 143 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1okd n ASP 144 N -4.40 1.23 -4.14 4.39 2.03 -1.26 -4.98 116.55 109.42 1okd n ASP 144 Ca 0.10 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.28 1okd n ASP 144 Cb 0.41 1.60 -0.11 0.00 -0.72 0.00 0.00 41.12 42.29 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 -3.01 0.93 -1.58 -1.67 0.00 -1.26 -5.04 121.76 110.13 1okd s ALA 145 Ca -0.06 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 50.86 1okd s ALA 145 Cb 0.09 0.06 0.20 0.00 0.00 0.00 0.00 23.12 23.47 1okd s ALA 145 CO 0.67 -0.07 1.05 -0.35 0.00 0.00 0.00 175.76 177.06 1okd n PRO 146 N 0.72 1.68 -2.62 0.00 -0.04 -1.26 -4.88 135.00 128.60 1okd n PRO 146 Ca -0.17 -0.78 -0.16 0.00 -0.04 0.00 0.00 63.50 62.35 1okd n PRO 146 Cb 0.57 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.73 1okd n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1okd n LEU 147 N 0.13 0.00 -2.49 1.53 4.32 -1.26 -4.93 117.00 114.29 1okd n LEU 147 Ca 0.07 -2.01 -0.04 0.00 -0.02 0.00 0.00 56.01 54.01 1okd n LEU 147 Cb 0.29 -0.32 -0.03 0.00 -1.62 0.00 0.00 43.42 41.74 1okd n LEU 147 CO 0.06 -0.66 -0.61 1.21 -1.22 0.00 0.00 177.39 176.17 1okd n GLU 148 N -1.98 -4.70 0.00 3.23 2.13 -1.26 -5.09 120.64 112.98 1okd n GLU 148 Ca 0.12 3.50 0.00 0.00 0.66 0.00 0.00 57.16 61.44 1okd n GLU 148 Cb 0.48 -4.89 0.00 0.00 0.27 0.00 0.00 31.44 27.30 1okd n GLU 148 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44