#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 0.20 0.49 0.23 0.00 -1.72 -3.24 103.07 99.03 1okd h GLY 3 Ca 0.00 -0.47 0.16 0.00 0.00 0.00 0.00 47.33 47.03 1okd h GLY 3 CO 0.00 0.41 0.60 0.17 0.00 0.00 0.00 176.54 177.71 1okd h LEU 4 N 0.06 0.00 -2.05 3.11 -0.00 -1.81 0.40 115.31 115.02 1okd h LEU 4 Ca -0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1okd h LEU 4 Cb 1.79 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.45 1okd h LEU 4 CO 0.16 0.00 0.05 0.44 -0.00 0.00 0.00 178.44 179.10 1okd h ASP 5 N 0.00 0.00 -0.41 0.17 5.19 -1.90 -1.17 116.42 118.29 1okd h ASP 5 Ca 0.27 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.75 1okd h ASP 5 Cb 1.46 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.95 1okd h ASP 5 CO -0.00 0.00 0.28 0.07 -3.12 0.00 0.00 179.24 176.47 1okd h LYS 6 N 0.00 0.25 0.00 3.56 2.10 -0.43 0.76 116.57 122.82 1okd h LYS 6 Ca 0.03 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.63 1okd h LYS 6 Cb 0.14 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1okd h LYS 6 CO -0.00 0.17 -0.18 1.88 -2.00 0.00 0.00 179.45 179.31 1okd h TYR 7 N 0.26 0.00 -1.74 0.07 -1.99 -1.37 -3.44 116.97 108.76 1okd h TYR 7 Ca 0.19 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.35 1okd h TYR 7 Cb 0.40 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.04 1okd h TYR 7 CO -0.00 0.18 -0.54 -0.51 -0.00 0.00 0.00 178.16 177.29 1okd s LEU 8 N -7.81 3.11 0.00 3.88 1.43 0.26 -4.64 118.68 114.91 1okd s LEU 8 Ca -0.03 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1okd s LEU 8 Cb 0.14 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1okd s LEU 8 CO 0.64 -0.41 0.00 -2.65 0.23 0.00 0.00 176.35 174.17 1okd n PRO 9 N -1.14 -0.14 -0.70 1.29 -0.02 -1.26 -4.71 135.00 128.33 1okd n PRO 9 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.40 1okd n PRO 9 Cb 0.63 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.04 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 0.00 2.65 3.55 -1.23 0.00 -1.26 -4.84 105.19 104.06 1okd n GLY 10 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1okd n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1okd n ILE 11 N 1.96 -0.03 -0.10 -0.61 5.41 -1.26 -4.78 119.36 119.94 1okd n ILE 11 Ca 0.18 -0.57 -0.08 0.00 1.00 0.00 0.00 62.75 63.28 1okd n ILE 11 Cb 0.66 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 1okd n ILE 11 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1okd h GLU 12 N 15.07 0.39 -4.93 0.38 4.39 -2.01 -3.45 114.58 124.43 1okd h GLU 12 Ca -0.09 -0.02 -0.34 0.00 0.34 0.00 0.00 59.36 59.25 1okd h GLU 12 Cb 1.14 -0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.55 1okd h GLU 12 CO 1.15 0.26 -0.65 0.15 -1.16 0.00 0.00 179.01 178.76 1okd s LYS 13 N -6.16 1.26 0.34 2.33 1.02 -1.26 -4.21 119.74 113.06 1okd s LYS 13 Ca -0.13 -1.63 0.08 0.00 0.02 0.00 0.00 55.97 54.30 1okd s LYS 13 Cb 0.11 -0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 1okd s LYS 13 CO 0.71 -0.15 0.26 -0.51 -0.92 0.00 0.00 175.35 174.74 1okd s LEU 14 N -3.25 3.51 -0.38 3.17 1.43 -1.21 -4.74 118.68 117.21 1okd s LEU 14 Ca 0.28 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1okd s LEU 14 Cb 0.06 -2.09 0.09 0.00 0.03 0.00 0.00 46.19 44.28 1okd s LEU 14 CO 0.08 -0.35 0.16 -0.13 0.23 0.00 0.00 176.35 176.33 1okd s ARG 15 N -3.96 2.17 0.38 1.70 0.52 0.40 -3.18 118.95 116.99 1okd s ARG 15 Ca 0.40 -1.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.03 1okd s ARG 15 Cb -0.05 -3.50 0.05 0.00 0.52 0.00 0.00 34.95 31.97 1okd s ARG 15 CO 0.26 -0.94 0.40 2.89 0.02 0.00 0.00 175.30 177.92 1okd n ARG 16 N 4.64 0.85 0.00 3.54 1.85 0.29 0.10 116.66 127.92 1okd n ARG 16 Ca -0.06 -2.25 0.00 0.00 -1.00 0.00 0.00 57.85 54.55 1okd n ARG 16 Cb 0.42 0.07 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1okd n GLY 17 N 0.36 -1.85 0.54 2.89 0.00 -1.04 -2.85 105.19 103.23 1okd n GLY 17 Ca 0.04 0.07 0.41 0.00 0.00 0.00 0.00 46.02 46.54 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 0.16 0.00 1.61 3.58 -1.89 -3.46 116.42 116.42 1okd h ASP 18 Ca 0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1okd h ASP 18 Cb 0.00 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1okd h ASP 18 CO 0.00 -0.12 0.00 0.61 -2.88 0.00 0.00 179.24 176.85 1okd n GLY 19 N -1.65 -0.70 3.79 -0.78 0.00 -1.13 -5.15 105.19 99.57 1okd n GLY 19 Ca 0.38 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.23 2.93 0.22 1.61 -1.05 -1.26 0.10 118.70 120.02 1okd s GLU 20 Ca 0.00 -0.71 0.05 0.00 -0.15 0.00 0.00 54.97 54.17 1okd s GLU 20 Cb 0.00 -2.73 -0.05 0.00 -0.44 0.00 0.00 34.13 30.91 1okd s GLU 20 CO 0.00 0.55 -0.07 0.14 0.95 0.00 0.00 175.26 176.84 1okd s VAL 21 N -1.47 1.37 0.26 1.83 -7.23 -1.19 -4.94 120.40 109.02 1okd s VAL 21 Ca 0.30 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1okd s VAL 21 Cb -0.12 -2.21 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 1okd s VAL 21 CO 0.23 -0.46 1.10 -1.61 -0.31 0.00 0.00 175.10 174.05 1okd s GLU 22 N -3.76 4.63 0.56 4.82 0.41 -1.26 -3.31 118.70 120.80 1okd s GLU 22 Ca 0.25 1.79 0.26 0.00 -0.41 0.00 0.00 54.97 56.86 1okd s GLU 22 Cb 0.03 -3.21 1.50 0.00 -1.78 0.00 0.00 34.13 30.68 1okd s GLU 22 CO 0.07 0.19 2.05 0.28 -0.49 0.00 0.00 175.26 177.36 1okd h VAL 23 N 3.23 0.62 -0.64 2.63 2.07 -1.95 -1.14 116.25 121.07 1okd h VAL 23 Ca -0.46 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.24 1okd h VAL 23 Cb 1.21 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1okd h VAL 23 CO 0.68 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.94 1okd h LYS 24 N 0.00 0.00 0.00 1.57 1.79 -1.93 0.28 116.57 118.28 1okd h LYS 24 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1okd h LYS 24 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1okd h LYS 24 CO -0.00 0.00 0.00 0.77 -1.08 0.00 0.00 179.45 179.14 1okd h SER 25 N 0.00 0.00 -1.55 0.86 0.02 -1.59 -2.23 113.55 109.06 1okd h SER 25 Ca 0.30 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.61 1okd h SER 25 Cb 1.42 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.59 1okd h SER 25 CO -0.00 0.00 -0.12 0.18 -1.14 0.00 0.00 176.83 175.75 1okd n LEU 26 N -2.61 5.74 -4.14 5.07 4.77 0.98 -4.92 117.00 121.89 1okd n LEU 26 Ca -0.02 -5.00 -0.38 0.00 -0.03 0.00 0.00 56.01 50.57 1okd n LEU 26 Cb 0.06 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 1okd n LEU 26 CO 0.15 2.04 0.17 0.00 -1.33 0.00 0.00 177.39 178.42 1okd s ALA 27 N -3.72 3.81 0.00 -1.18 0.00 -0.84 -1.70 121.76 118.13 1okd s ALA 27 Ca 0.50 -3.39 0.00 0.00 0.00 0.00 0.00 51.96 49.07 1okd s ALA 27 Cb 0.42 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1okd s ALA 27 CO -0.22 -2.15 0.00 0.41 0.00 0.00 0.00 175.76 173.79 1okd n GLY 28 N 3.35 0.59 3.62 0.00 0.00 -1.26 -4.98 105.19 106.51 1okd n GLY 28 Ca 0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.19 1.83 -0.29 1.61 -2.85 -1.26 -4.90 119.74 113.69 1okd s LYS 29 Ca 0.00 -1.45 -0.14 0.00 -1.00 0.00 0.00 55.97 53.38 1okd s LYS 29 Cb 0.00 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1okd s LYS 29 CO 0.00 -0.79 0.31 -1.17 0.10 0.00 0.00 175.35 173.80 1okd s LEU 30 N -3.10 4.12 -0.16 2.77 2.96 -1.26 -0.70 118.68 123.31 1okd s LEU 30 Ca 0.23 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1okd s LEU 30 Cb -0.02 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 1okd s LEU 30 CO 0.13 -0.17 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.20 1okd s VAL 31 N 1.95 3.11 0.39 1.68 1.01 0.11 -3.02 120.40 125.63 1okd s VAL 31 Ca 0.11 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1okd s VAL 31 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1okd s VAL 31 CO 0.11 0.49 0.59 -0.36 0.00 0.00 0.00 175.10 175.93 1okd s PHE 32 N 0.79 3.34 -0.24 5.22 0.40 -1.18 -0.64 117.98 125.67 1okd s PHE 32 Ca -0.04 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1okd s PHE 32 Cb -0.15 -2.08 0.07 0.00 0.51 0.00 0.00 43.02 41.38 1okd s PHE 32 CO 0.01 -0.09 0.04 -0.06 0.70 0.00 0.00 175.22 175.82 1okd s PHE 33 N -2.40 1.56 -0.44 0.36 0.08 0.45 -1.52 117.98 116.06 1okd s PHE 33 Ca 0.44 -1.36 -0.18 0.00 0.12 0.00 0.00 56.93 55.95 1okd s PHE 33 Cb -0.10 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 1okd s PHE 33 CO 0.36 -0.74 0.47 -0.47 -0.10 0.00 0.00 175.22 174.74 1okd s TYR 34 N 1.68 3.15 -0.23 0.36 5.04 1.71 -1.61 117.35 127.44 1okd s TYR 34 Ca 0.02 -0.43 -0.11 0.00 -2.44 0.00 0.00 57.07 54.11 1okd s TYR 34 Cb -0.17 -3.03 -0.05 0.00 0.35 0.00 0.00 41.96 39.05 1okd s TYR 34 CO -0.14 -0.77 0.19 -0.06 -1.34 0.00 0.00 175.55 173.43 1okd s PHE 35 N 2.20 3.34 0.02 4.97 0.40 -0.72 0.12 117.98 128.31 1okd s PHE 35 Ca 0.12 0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 56.47 1okd s PHE 35 Cb -0.18 -2.29 0.10 0.00 0.51 0.00 0.00 43.02 41.16 1okd s PHE 35 CO 0.13 0.09 1.24 0.45 0.70 0.00 0.00 175.22 177.83 1okd s SER 36 N 0.95 -0.03 -0.02 1.36 0.15 0.71 -1.37 113.70 115.45 1okd s SER 36 Ca 0.09 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.53 1okd s SER 36 Cb -0.13 0.21 -0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1okd s SER 36 CO 0.04 -0.41 -0.11 0.00 1.20 0.00 0.00 173.24 173.95 1okd s ALA 37 N -2.26 1.02 0.62 5.45 0.00 -1.26 0.12 121.76 125.44 1okd s ALA 37 Ca 0.21 -0.45 0.29 0.00 0.00 0.00 0.00 51.96 52.02 1okd s ALA 37 Cb 0.01 -0.34 1.55 0.00 0.00 0.00 0.00 23.12 24.34 1okd s ALA 37 CO -0.01 0.19 1.92 1.03 0.00 0.00 0.00 175.76 178.90 1okd h SER 38 N 6.22 0.00 -0.01 0.00 0.87 -1.91 0.40 113.55 119.11 1okd h SER 38 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1okd h SER 38 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1okd h SER 38 CO 0.49 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.12 1okd n TRP 39 N -3.43 0.01 -3.29 2.24 4.27 -1.26 -4.84 117.44 111.15 1okd n TRP 39 Ca 0.04 -0.01 -0.33 0.00 -3.89 0.00 0.00 57.50 53.31 1okd n TRP 39 Cb 0.53 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.42 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 2.79 -0.32 0.25 0.00 0.11 -1.88 -3.30 132.00 129.64 1okd h PRO 41 Ca -0.48 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1okd h PRO 41 Cb 1.18 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1okd h PRO 41 CO 0.67 0.01 -0.23 -1.35 -0.21 0.00 0.00 178.00 176.89 1okd h PRO 42 N -0.72 -0.46 -1.36 1.05 0.11 -1.95 -2.67 132.00 125.99 1okd h PRO 42 Ca -0.03 0.03 0.43 0.00 0.11 0.00 0.00 66.00 66.54 1okd h PRO 42 Cb 0.49 0.10 -0.09 0.00 0.11 0.00 0.00 31.00 31.61 1okd h PRO 42 CO 0.06 -0.30 0.94 0.00 -0.21 0.00 0.00 178.00 178.48 1okd h ARG 44 N 0.00 0.00 0.00 0.00 1.12 -1.55 -0.59 114.38 113.36 1okd h ARG 44 Ca 0.74 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.61 1okd h ARG 44 Cb 2.69 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.65 1okd h ARG 44 CO -0.20 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.07 1okd n GLY 45 N -1.70 -0.43 0.13 2.80 0.00 0.19 -4.76 105.19 101.42 1okd n GLY 45 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 1okd n GLY 45 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1okd h PHE 46 N 0.00 0.52 -0.82 1.61 3.04 -0.89 -3.39 116.94 117.02 1okd h PHE 46 Ca 0.00 -0.38 0.15 0.00 3.98 0.00 0.00 57.97 61.72 1okd h PHE 46 Cb 0.24 -0.02 -0.15 0.00 2.56 0.00 0.00 35.95 38.58 1okd h PHE 46 CO 0.00 1.63 -0.26 0.00 -2.02 0.00 0.00 178.31 177.66 1okd h THR 47 N 0.08 0.14 0.00 4.41 1.03 -1.75 0.66 112.91 117.47 1okd h THR 47 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1okd h THR 47 Cb 2.05 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 1okd h THR 47 CO 0.13 0.00 0.00 -0.81 -0.01 0.00 0.00 175.52 174.83 1okd n PRO 48 N -5.51 0.45 0.08 0.00 -0.04 -1.26 -2.86 135.00 125.86 1okd n PRO 48 Ca 0.11 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1okd n PRO 48 Cb 0.41 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.35 -0.08 0.54 1.08 0.15 -3.14 115.11 114.01 1okd h GLN 49 Ca 0.00 -0.45 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1okd h GLN 49 Cb 0.05 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1okd h GLN 49 CO 0.00 1.15 0.03 1.25 -0.95 0.00 0.00 178.83 180.31 1okd h LEU 50 N 0.17 0.11 -1.62 1.46 7.12 -1.58 -2.59 115.31 118.39 1okd h LEU 50 Ca -0.10 -0.17 0.09 0.00 0.13 0.00 0.00 57.88 57.83 1okd h LEU 50 Cb 1.73 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.80 1okd h LEU 50 CO 0.18 0.25 0.39 0.40 -0.13 0.00 0.00 178.44 179.53 1okd h ILE 51 N -0.03 0.93 0.08 4.05 5.03 -1.71 0.61 117.51 126.47 1okd h ILE 51 Ca 0.03 -0.15 -0.00 0.00 -0.12 0.00 0.00 64.86 64.61 1okd h ILE 51 Cb 0.17 0.44 0.00 0.00 -3.03 0.00 0.00 36.82 34.40 1okd h ILE 51 CO -0.00 0.08 -0.04 -0.08 -0.68 0.00 0.00 178.15 177.43 1okd h GLU 52 N 0.45 -0.11 0.00 2.37 4.57 -1.43 0.85 114.58 121.28 1okd h GLU 52 Ca 0.27 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.32 1okd h GLU 52 Cb 0.46 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1okd h GLU 52 CO -0.07 0.30 -0.61 0.35 -1.18 0.00 0.00 179.01 177.79 1okd h PHE 53 N -0.54 0.00 0.03 0.92 3.57 -1.09 -2.46 116.94 117.36 1okd h PHE 53 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1okd h PHE 53 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1okd h PHE 53 CO 0.06 0.61 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.83 1okd h TYR 54 N 0.00 -0.03 0.00 0.41 5.03 0.24 -2.61 116.97 120.00 1okd h TYR 54 Ca -0.01 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1okd h TYR 54 Cb 1.09 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 1okd h TYR 54 CO 0.00 0.63 -0.03 0.22 -1.32 0.00 0.00 178.16 177.66 1okd h ASP 55 N -0.94 0.00 0.34 -2.11 3.58 0.67 1.48 116.42 119.45 1okd h ASP 55 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1okd h ASP 55 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1okd h ASP 55 CO 0.01 0.03 -0.75 0.29 -2.88 0.00 0.00 179.24 175.94 1okd n LYS 56 N -4.00 0.06 0.00 0.28 5.02 -0.93 -4.45 118.16 114.13 1okd n LYS 56 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1okd n LYS 56 Cb 0.11 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1okd n LYS 56 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1okd n PHE 57 N -1.59 0.00 0.23 2.13 3.72 -0.78 -4.84 117.46 116.34 1okd n PHE 57 Ca 0.04 -0.01 0.10 0.00 -0.05 0.00 0.00 57.45 57.53 1okd n PHE 57 Cb 0.35 -0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.57 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 0.00 1.38 2.07 0.19 0.75 115.15 119.54 1okd h HIS 58 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1okd h HIS 58 Cb 0.60 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.58 1okd h HIS 58 CO 0.00 0.00 -0.00 0.93 -3.07 0.00 0.00 177.93 175.79 1okd h GLU 59 N 0.00 -0.01 0.15 5.12 5.08 -1.88 0.45 114.58 123.49 1okd h GLU 59 Ca 0.03 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.10 1okd h GLU 59 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1okd h GLU 59 CO -0.00 0.52 -1.38 0.66 -1.00 0.00 0.00 179.01 177.80 1okd h SER 60 N -0.53 0.50 0.50 1.42 4.64 -1.84 -3.34 113.55 114.89 1okd h SER 60 Ca -0.00 -0.58 -0.30 0.00 -0.47 0.00 0.00 61.79 60.45 1okd h SER 60 Cb 0.53 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1okd h SER 60 CO 0.00 1.46 -1.37 0.11 -0.87 0.00 0.00 176.83 176.16 1okd h LYS 61 N 0.09 0.33 -6.15 4.77 1.79 0.40 -3.49 116.57 114.30 1okd h LYS 61 Ca -0.19 -0.56 -0.27 0.00 -2.18 0.00 0.00 60.65 57.44 1okd h LYS 61 Cb 2.03 0.21 0.01 0.00 -1.58 0.00 0.00 32.23 32.89 1okd h LYS 61 CO 0.20 1.25 -0.90 -1.71 -1.08 0.00 0.00 179.45 177.21 1okd n ASN 62 N -3.56 -6.24 -4.13 0.86 2.85 0.16 -4.96 115.26 100.24 1okd n ASN 62 Ca -0.12 -0.10 -0.13 0.00 -0.11 0.00 0.00 54.58 54.11 1okd n ASN 62 Cb 1.05 -2.95 -0.10 0.00 1.24 0.00 0.00 39.78 39.02 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1okd s PHE 63 N -2.15 1.22 -0.06 1.20 -0.12 -1.26 -4.63 117.98 112.18 1okd s PHE 63 Ca 0.25 -1.40 0.01 0.00 -0.05 0.00 0.00 56.93 55.74 1okd s PHE 63 Cb -0.04 -0.58 0.02 0.00 -0.63 0.00 0.00 43.02 41.79 1okd s PHE 63 CO 0.84 -0.65 -0.05 -2.00 -0.05 0.00 0.00 175.22 173.31 1okd s GLU 64 N -4.10 1.00 -0.13 1.99 2.56 -1.17 -5.01 118.70 113.85 1okd s GLU 64 Ca 0.39 -0.13 -0.05 0.00 0.00 0.00 0.00 54.97 55.18 1okd s GLU 64 Cb 0.07 -1.03 -0.04 0.00 2.00 0.00 0.00 34.13 35.13 1okd s GLU 64 CO 0.13 -0.13 0.07 0.08 -0.56 0.00 0.00 175.26 174.86 1okd s VAL 65 N 1.16 4.89 -0.03 3.70 1.01 -1.26 -3.08 120.40 126.80 1okd s VAL 65 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1okd s VAL 65 Cb -0.14 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1okd s VAL 65 CO -0.01 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 1okd s VAL 66 N -0.57 3.63 -0.13 2.92 1.01 -0.58 -1.66 120.40 125.02 1okd s VAL 66 Ca 0.11 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1okd s VAL 66 Cb -0.12 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1okd s VAL 66 CO 0.02 0.49 0.21 0.12 0.00 0.00 0.00 175.10 175.95 1okd s PHE 67 N -0.90 3.55 -0.22 5.22 5.36 0.20 -2.21 117.98 128.97 1okd s PHE 67 Ca 0.15 0.57 -0.00 0.00 -0.96 0.00 0.00 56.93 56.69 1okd s PHE 67 Cb -0.11 -2.13 0.03 0.00 -0.34 0.00 0.00 43.02 40.46 1okd s PHE 67 CO 0.05 0.51 -0.12 0.00 -1.46 0.00 0.00 175.22 174.20 1okd s THR 69 N 1.29 4.75 -0.17 0.00 -1.32 -1.25 -0.21 115.64 118.73 1okd s THR 69 Ca 0.01 0.68 0.23 0.00 -1.21 0.00 0.00 61.69 61.40 1okd s THR 69 Cb -0.16 -3.78 0.47 0.00 -1.51 0.00 0.00 72.50 67.52 1okd s THR 69 CO -0.08 -0.72 1.15 0.79 -2.21 0.00 0.00 174.62 173.55 1okd n TRP 70 N -1.79 0.67 -4.01 9.09 7.02 0.32 -4.61 117.44 124.14 1okd n TRP 70 Ca 0.03 -1.54 -0.22 0.00 -1.02 0.00 0.00 57.50 54.76 1okd n TRP 70 Cb 0.54 -0.11 -0.05 0.00 -2.42 0.00 0.00 31.31 29.27 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 -3.03 5.21 -0.02 -0.99 2.15 -1.26 -4.51 116.67 114.22 1okd s ASP 71 Ca 0.28 -0.46 0.18 0.00 0.43 0.00 0.00 52.55 52.98 1okd s ASP 71 Cb 0.34 -1.08 -0.26 0.00 -0.30 0.00 0.00 42.92 41.62 1okd s ASP 71 CO -0.09 -0.20 0.47 -0.62 -0.17 0.00 0.00 175.17 174.57 1okd n GLU 72 N -1.23 0.69 -3.67 4.34 -0.58 -1.26 -4.89 120.64 114.05 1okd n GLU 72 Ca -0.05 -0.13 -0.38 0.00 -0.42 0.00 0.00 57.16 56.18 1okd n GLU 72 Cb 0.59 -1.41 -0.12 0.00 -0.57 0.00 0.00 31.44 29.94 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1okd s GLU 73 N -3.13 3.25 0.15 3.49 2.12 -1.26 -4.99 118.70 118.33 1okd s GLU 73 Ca -0.04 -0.77 -0.21 0.00 0.36 0.00 0.00 54.97 54.31 1okd s GLU 73 Cb 0.12 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 31.00 1okd s GLU 73 CO 0.75 -0.44 1.66 1.05 -0.54 0.00 0.00 175.26 177.73 1okd h GLU 74 N 8.33 -0.15 -0.17 4.30 4.11 -2.00 0.77 114.58 129.78 1okd h GLU 74 Ca -0.32 0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.17 1okd h GLU 74 Cb 1.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1okd h GLU 74 CO 0.62 -0.10 0.25 -0.44 0.07 0.00 0.00 179.01 179.40 1okd h ASP 75 N -0.16 0.00 0.12 3.06 3.32 -1.97 0.21 116.42 121.00 1okd h ASP 75 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1okd h ASP 75 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1okd h ASP 75 CO -0.33 0.00 -0.06 1.23 -1.72 0.00 0.00 179.24 178.36 1okd h GLY 76 N 0.00 -0.17 1.49 2.75 0.00 -1.28 -2.01 103.07 103.86 1okd h GLY 76 Ca 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 1okd h GLY 76 CO -0.00 -0.06 -0.24 0.27 0.00 0.00 0.00 176.54 176.51 1okd h PHE 77 N -0.97 0.66 0.22 5.60 -5.15 -1.00 -2.83 116.94 113.48 1okd h PHE 77 Ca -0.02 -0.14 -0.01 0.00 -0.20 0.00 0.00 57.97 57.60 1okd h PHE 77 Cb 0.44 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 36.46 1okd h PHE 77 CO 0.08 0.78 -0.11 0.00 -2.00 0.00 0.00 178.31 177.06 1okd h ALA 78 N 1.22 -0.30 0.00 12.09 0.00 -0.73 1.08 119.26 132.62 1okd h ALA 78 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1okd h ALA 78 Cb 0.69 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1okd h ALA 78 CO 0.05 -0.45 0.12 0.41 0.00 0.00 0.00 179.25 179.38 1okd n GLY 79 N -0.03 -0.73 0.09 0.00 0.00 -0.76 -0.84 105.19 102.91 1okd n GLY 79 Ca -0.09 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.10 0.00 0.78 1.61 9.36 -0.96 -4.43 117.16 121.42 1okd n TYR 80 Ca -0.01 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.34 1okd n TYR 80 Cb 0.15 -0.82 0.50 0.00 -0.63 0.00 0.00 39.34 38.53 1okd n TYR 80 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 1okd n PHE 81 N -2.68 0.50 -0.33 2.98 -1.74 0.37 -3.88 117.46 112.68 1okd n PHE 81 Ca -0.28 0.15 0.21 0.00 -0.56 0.00 0.00 57.45 56.97 1okd n PHE 81 Cb 1.03 -0.74 0.44 0.00 1.52 0.00 0.00 39.48 41.72 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 2.72 1.86 -3.00 1.98 0.00 -1.46 -3.37 119.26 117.99 1okd h ALA 82 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1okd h ALA 82 Cb 0.61 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1okd h ALA 82 CO 0.00 -0.48 0.00 0.36 0.00 0.00 0.00 179.25 179.13 1okd n LYS 83 N -5.02 0.00 -1.79 0.00 2.85 -1.25 -4.80 118.16 108.15 1okd n LYS 83 Ca 0.30 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1okd n LYS 83 Cb 0.90 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.28 1okd n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1okd n MET 84 N 0.00 -0.50 0.10 -1.58 0.00 -1.26 -4.18 117.12 109.70 1okd n MET 84 Ca 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 57.70 58.17 1okd n MET 84 Cb 0.00 -0.47 0.28 0.00 0.00 0.00 0.00 33.22 33.03 1okd n MET 84 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1okd h PRO 85 N 3.93 0.24 -6.95 3.17 0.13 -1.93 -2.76 132.00 127.83 1okd h PRO 85 Ca 0.00 -0.09 -0.51 0.00 -0.87 0.00 0.00 66.00 64.53 1okd h PRO 85 Cb 0.00 -0.01 0.21 0.00 0.13 0.00 0.00 31.00 31.33 1okd h PRO 85 CO 0.00 0.54 -0.35 -2.67 -0.23 0.00 0.00 178.00 175.29 1okd n TRP 86 N -4.10 -0.75 -2.49 1.56 2.14 -1.26 -2.72 117.44 109.82 1okd n TRP 86 Ca -0.01 0.23 -0.30 0.00 2.07 0.00 0.00 57.50 59.49 1okd n TRP 86 Cb 0.41 -1.81 -0.02 0.00 -0.81 0.00 0.00 31.31 29.09 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 -3.38 3.61 0.07 5.67 1.43 -0.66 -3.81 118.68 121.59 1okd s LEU 87 Ca 0.61 1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.90 1okd s LEU 87 Cb -0.21 -4.18 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 1okd s LEU 87 CO 0.64 -0.58 0.05 0.00 0.23 0.00 0.00 176.35 176.69 1okd s ALA 88 N -2.69 0.26 -0.16 4.21 0.00 0.29 0.60 121.76 124.26 1okd s ALA 88 Ca 0.53 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 1okd s ALA 88 Cb -0.10 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1okd s ALA 88 CO 0.40 -0.42 0.80 0.08 0.00 0.00 0.00 175.76 176.61 1okd s VAL 89 N -3.90 4.91 0.56 0.00 1.01 -1.19 0.15 120.40 121.94 1okd s VAL 89 Ca 0.07 1.56 -0.21 0.00 0.00 0.00 0.00 61.98 63.40 1okd s VAL 89 Cb 0.07 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1okd s VAL 89 CO -0.10 0.06 1.22 -0.81 0.00 0.00 0.00 175.10 175.47 1okd n PRO 90 N 5.04 1.40 -0.33 2.72 -0.04 -1.26 -4.72 135.00 137.81 1okd n PRO 90 Ca 0.03 0.52 0.36 0.00 -0.04 0.00 0.00 63.50 64.37 1okd n PRO 90 Cb 0.49 -2.41 0.75 0.00 -0.04 0.00 0.00 33.50 32.29 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 1.12 0.00 -0.90 0.54 3.57 -1.99 0.24 116.94 119.52 1okd h PHE 91 Ca -0.50 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.15 1okd h PHE 91 Cb 1.33 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 1okd h PHE 91 CO 0.43 0.00 0.58 0.00 -2.23 0.00 0.00 178.31 177.08 1okd h ALA 92 N 1.40 1.84 -0.18 2.41 0.00 -2.03 -1.74 119.26 120.95 1okd h ALA 92 Ca 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1okd h ALA 92 Cb 2.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.94 1okd h ALA 92 CO -0.01 -0.08 -0.10 1.04 0.00 0.00 0.00 179.25 180.10 1okd n GLN 93 N -4.57 1.96 0.19 0.00 1.13 0.80 -4.68 117.38 112.23 1okd n GLN 93 Ca 0.18 -2.95 0.18 0.00 -1.94 0.00 0.00 57.00 52.47 1okd n GLN 93 Cb 0.48 -1.71 0.82 0.00 0.11 0.00 0.00 30.24 29.94 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 0.00 -0.49 1.08 4.64 -0.97 0.11 113.55 118.88 1okd h SER 94 Ca 0.07 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.53 1okd h SER 94 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1okd h SER 94 CO 0.18 0.00 0.35 -0.08 -0.87 0.00 0.00 176.83 176.42 1okd h GLU 95 N 0.00 0.00 -0.80 4.77 4.81 -1.83 0.01 114.58 121.54 1okd h GLU 95 Ca 0.10 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1okd h GLU 95 Cb 0.66 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.98 1okd h GLU 95 CO -0.00 0.00 0.47 0.00 -0.73 0.00 0.00 179.01 178.75 1okd h ALA 96 N 1.75 1.12 -0.37 2.92 0.00 -1.16 -0.61 119.26 122.91 1okd h ALA 96 Ca 0.23 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1okd h ALA 96 Cb 0.94 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1okd h ALA 96 CO -0.00 0.14 0.25 0.28 0.00 0.00 0.00 179.25 179.92 1okd h VAL 97 N 0.82 1.04 -0.13 0.00 2.07 -1.16 1.96 116.25 120.85 1okd h VAL 97 Ca 0.37 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.65 1okd h VAL 97 Cb 0.26 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1okd h VAL 97 CO -0.21 0.07 -0.30 1.56 0.02 0.00 0.00 177.57 178.71 1okd h GLN 98 N 0.41 0.43 0.21 1.57 1.08 -1.16 -0.88 115.11 116.78 1okd h GLN 98 Ca 0.15 -0.29 -0.33 0.00 -1.45 0.00 0.00 58.65 56.73 1okd h GLN 98 Cb 0.09 0.04 0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1okd h GLN 98 CO -0.03 0.90 -1.51 0.87 -0.95 0.00 0.00 178.83 178.10 1okd h LYS 99 N 0.03 0.45 0.00 1.46 1.57 -0.86 -3.24 116.57 115.98 1okd h LYS 99 Ca -0.00 -0.78 -0.07 0.00 -1.87 0.00 0.00 60.65 57.93 1okd h LYS 99 Cb 0.91 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1okd h LYS 99 CO 0.07 1.36 -0.35 1.25 -0.57 0.00 0.00 179.45 181.21 1okd h LEU 100 N 0.12 0.00 -0.02 2.94 5.85 0.30 -3.05 115.31 121.46 1okd h LEU 100 Ca -0.26 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1okd h LEU 100 Cb 2.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 1okd h LEU 100 CO 0.24 0.35 -0.01 0.77 -0.34 0.00 0.00 178.44 179.45 1okd h SER 101 N 0.00 0.04 -0.51 1.25 4.64 -1.23 -3.02 113.55 114.72 1okd h SER 101 Ca -0.00 -0.39 0.09 0.00 -0.47 0.00 0.00 61.79 61.02 1okd h SER 101 Cb 0.71 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1okd h SER 101 CO 0.05 0.42 0.35 0.11 -0.87 0.00 0.00 176.83 176.88 1okd h LYS 102 N -0.34 0.29 -0.19 4.77 6.56 -1.56 -0.12 116.57 125.97 1okd h LYS 102 Ca 0.00 -0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.62 1okd h LYS 102 Cb 0.40 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 1okd h LYS 102 CO 0.00 0.19 0.13 1.25 -2.06 0.00 0.00 179.45 178.97 1okd h HIS 103 N 0.29 0.06 -0.43 -1.35 2.76 -1.42 0.23 115.15 115.29 1okd h HIS 103 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1okd h HIS 103 Cb 0.54 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1okd h HIS 103 CO -0.00 0.03 0.00 1.19 -1.30 0.00 0.00 177.93 177.85 1okd n PHE 104 N -4.49 0.56 -3.60 5.26 3.72 -0.08 -4.95 117.46 113.87 1okd n PHE 104 Ca 0.01 -0.28 -0.27 0.00 -0.05 0.00 0.00 57.45 56.86 1okd n PHE 104 Cb 0.23 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.51 -4.71 -4.54 4.37 5.15 0.07 -4.79 115.26 112.31 1okd n ASN 105 Ca 0.20 -0.58 -0.37 0.00 -0.60 0.00 0.00 54.58 53.23 1okd n ASN 105 Cb 0.61 -3.80 -0.05 0.00 -0.53 0.00 0.00 39.78 36.01 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1okd n VAL 106 N -4.43 -0.06 -0.13 3.44 0.31 -1.18 -4.81 118.33 111.48 1okd n VAL 106 Ca 0.00 -0.68 -0.05 0.00 -0.01 0.00 0.00 64.34 63.60 1okd n VAL 106 Cb 0.54 -2.49 0.04 0.00 -0.91 0.00 0.00 33.84 31.03 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 18.38 0.27 -1.75 5.55 4.81 -1.94 -3.45 114.58 136.44 1okd h GLU 107 Ca -0.22 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1okd h GLU 107 Cb 1.27 -0.06 -0.21 0.00 0.63 0.00 0.00 28.75 30.38 1okd h GLU 107 CO 1.18 0.18 0.41 -1.12 -0.73 0.00 0.00 179.01 178.93 1okd s SER 108 N -5.35 -0.48 0.56 1.04 0.01 -1.26 -5.17 113.70 103.04 1okd s SER 108 Ca -0.13 0.51 -0.11 0.00 1.31 0.00 0.00 55.95 57.53 1okd s SER 108 Cb 0.13 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.71 1okd s SER 108 CO 0.72 -0.45 0.95 0.27 0.41 0.00 0.00 173.24 175.14 1okd s ILE 109 N -1.21 4.72 0.33 1.44 -5.25 -1.26 -4.41 121.20 115.56 1okd s ILE 109 Ca -0.05 0.79 -0.15 0.00 -0.99 0.00 0.00 60.65 60.25 1okd s ILE 109 Cb -0.00 -3.83 -0.09 0.00 2.95 0.00 0.00 42.46 41.49 1okd s ILE 109 CO 0.04 -0.95 0.75 -2.16 -1.79 0.00 0.00 174.94 170.83 1okd s PRO 110 N -4.77 4.01 0.20 0.37 0.05 -1.26 -5.03 135.00 128.57 1okd s PRO 110 Ca 0.54 0.69 0.02 0.00 0.05 0.00 0.00 61.00 62.29 1okd s PRO 110 Cb -0.11 -2.41 -0.05 0.00 0.05 0.00 0.00 34.50 31.99 1okd s PRO 110 CO 0.46 0.13 0.04 -0.08 0.05 0.00 0.00 177.00 177.60 1okd s THR 111 N -2.02 0.62 -0.12 1.26 -1.32 -0.47 -5.01 115.64 108.59 1okd s THR 111 Ca 0.55 -1.99 -0.06 0.00 -1.21 0.00 0.00 61.69 58.98 1okd s THR 111 Cb -0.10 -2.31 0.05 0.00 -1.51 0.00 0.00 72.50 68.63 1okd s THR 111 CO 0.18 -0.29 0.27 -0.22 -2.21 0.00 0.00 174.62 172.34 1okd s LEU 112 N -3.22 0.15 0.15 9.08 2.96 -1.26 -1.76 118.68 124.78 1okd s LEU 112 Ca 0.29 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1okd s LEU 112 Cb 0.07 0.80 -0.04 0.00 0.50 0.00 0.00 46.19 47.52 1okd s LEU 112 CO 0.08 -0.19 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.14 1okd s ILE 113 N 1.60 1.50 -0.08 6.68 -1.09 -0.64 -0.85 121.20 128.32 1okd s ILE 113 Ca -0.07 -1.89 0.04 0.00 -2.23 0.00 0.00 60.65 56.50 1okd s ILE 113 Cb -0.11 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1okd s ILE 113 CO -0.09 -0.46 -0.19 -0.83 -1.23 0.00 0.00 174.94 172.14 1okd s GLY 114 N -2.74 1.08 0.10 6.18 0.00 -0.80 0.11 107.32 111.25 1okd s GLY 114 Ca 0.14 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.16 1okd s GLY 114 CO 0.04 -0.19 -0.10 -1.34 0.00 0.00 0.00 173.10 171.52 1okd s VAL 115 N 0.39 0.92 -0.26 1.40 -7.23 0.18 -1.66 120.40 114.14 1okd s VAL 115 Ca -0.15 -1.70 -0.14 0.00 -1.81 0.00 0.00 61.98 58.19 1okd s VAL 115 Cb -0.16 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1okd s VAL 115 CO 0.06 -0.61 0.33 -1.81 -0.31 0.00 0.00 175.10 172.76 1okd s ASP 116 N -2.55 6.23 0.08 4.85 1.01 -1.07 0.06 116.67 125.28 1okd s ASP 116 Ca 0.07 0.26 -0.26 0.00 0.71 0.00 0.00 52.55 53.32 1okd s ASP 116 Cb -0.02 -2.19 -0.16 0.00 1.01 0.00 0.00 42.92 41.56 1okd s ASP 116 CO -0.00 -0.12 1.68 0.00 0.21 0.00 0.00 175.17 176.93 1okd h ALA 117 N 8.03 -0.27 0.57 5.23 0.00 -1.23 0.60 119.26 132.19 1okd h ALA 117 Ca -0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1okd h ALA 117 Cb 1.17 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1okd h ALA 117 CO 0.64 -0.64 -0.29 0.22 0.00 0.00 0.00 179.25 179.18 1okd h ASP 118 N -0.30 -0.70 0.11 0.00 1.82 -1.85 -2.39 116.42 113.11 1okd h ASP 118 Ca -0.03 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1okd h ASP 118 Cb 0.23 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 1okd h ASP 118 CO 0.05 -0.49 -0.09 0.28 -1.61 0.00 0.00 179.24 177.38 1okd h SER 119 N -0.79 0.00 -2.22 2.28 0.02 -1.91 -3.43 113.55 107.49 1okd h SER 119 Ca -0.08 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.49 1okd h SER 119 Cb 0.62 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 1okd h SER 119 CO 0.12 0.09 -0.46 0.61 -1.14 0.00 0.00 176.83 176.05 1okd n GLY 120 N -1.21 0.23 3.10 -3.77 0.00 0.21 -4.98 105.19 98.78 1okd n GLY 120 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1okd n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1okd s ASP 121 N -2.32 0.52 0.07 1.61 1.01 -1.21 -4.57 116.67 111.78 1okd s ASP 121 Ca 0.00 -1.02 -0.31 0.00 0.71 0.00 0.00 52.55 51.93 1okd s ASP 121 Cb 0.00 0.20 -0.08 0.00 1.01 0.00 0.00 42.92 44.06 1okd s ASP 121 CO 0.00 -0.60 1.54 -0.69 0.21 0.00 0.00 175.17 175.63 1okd s VAL 122 N -3.91 3.19 -0.16 -1.27 1.01 -1.26 -2.59 120.40 115.40 1okd s VAL 122 Ca 0.09 0.69 0.11 0.00 0.00 0.00 0.00 61.98 62.87 1okd s VAL 122 Cb 0.08 -3.44 -0.18 0.00 0.00 0.00 0.00 36.38 32.84 1okd s VAL 122 CO -0.08 0.01 -0.00 0.52 0.00 0.00 0.00 175.10 175.54 1okd n VAL 123 N 4.51 1.08 -3.69 2.92 0.31 -1.11 -4.93 118.33 117.42 1okd n VAL 123 Ca 0.14 -0.60 -0.15 0.00 -0.01 0.00 0.00 64.34 63.73 1okd n VAL 123 Cb 0.41 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.38 0.03 -0.12 2.52 -1.32 -0.67 -4.29 115.64 109.43 1okd s THR 124 Ca -0.12 -0.29 0.15 0.00 -1.21 0.00 0.00 61.69 60.22 1okd s THR 124 Cb 0.05 -0.72 0.34 0.00 -1.51 0.00 0.00 72.50 70.66 1okd s THR 124 CO 0.59 -0.16 1.17 0.35 -2.21 0.00 0.00 174.62 174.36 1okd n THR 125 N 1.38 1.37 -2.62 5.08 -2.24 -1.26 -1.91 114.28 114.07 1okd n THR 125 Ca -0.20 -2.12 -0.11 0.00 -2.27 0.00 0.00 64.05 59.36 1okd n THR 125 Cb 0.56 0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1okd n THR 125 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1okd n ARG 126 N -0.69 1.90 0.00 -0.78 3.00 -1.26 -4.85 116.66 113.98 1okd n ARG 126 Ca 0.13 -3.61 0.14 0.00 -0.01 0.00 0.00 57.85 54.51 1okd n ARG 126 Cb 0.78 -1.60 0.78 0.00 0.00 0.00 0.00 32.46 32.42 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 -0.34 2.48 0.07 7.54 0.00 -0.03 -2.01 120.51 128.21 1okd n ALA 127 Ca 0.16 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1okd n ALA 127 Cb 0.80 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 1okd n ALA 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1okd h ARG 128 N 0.00 0.35 0.19 0.00 -0.00 -1.81 -3.15 114.38 109.97 1okd h ARG 128 Ca 0.00 -0.60 -0.35 0.00 -0.00 0.00 0.00 59.98 59.03 1okd h ARG 128 Cb 0.17 0.22 0.01 0.00 -0.00 0.00 0.00 29.97 30.38 1okd h ARG 128 CO 0.00 1.26 -1.74 0.00 -0.00 0.00 0.00 179.97 179.49 1okd h ALA 129 N 0.21 0.13 -0.15 0.08 0.00 -1.88 -3.36 119.26 114.28 1okd h ALA 129 Ca -0.33 -1.12 -0.03 0.00 0.00 0.00 0.00 54.91 53.43 1okd h ALA 129 Cb 2.08 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1okd h ALA 129 CO 0.17 1.00 -0.01 1.79 0.00 0.00 0.00 179.25 182.19 1okd h THR 130 N 0.11 1.27 -0.89 0.00 1.35 -1.59 0.98 112.91 114.15 1okd h THR 130 Ca -0.34 -0.90 0.18 0.00 -0.55 0.00 0.00 66.41 64.80 1okd h THR 130 Cb 2.11 1.56 -0.07 0.00 -1.73 0.00 0.00 68.15 70.02 1okd h THR 130 CO 0.19 0.27 0.58 0.25 -0.25 0.00 0.00 175.52 176.55 1okd h LEU 131 N 0.01 0.48 0.12 3.87 6.46 -1.73 1.23 115.31 125.74 1okd h LEU 131 Ca 0.04 0.04 -0.36 0.00 -0.12 0.00 0.00 57.88 57.48 1okd h LEU 131 Cb 0.41 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1okd h LEU 131 CO 0.01 0.21 -1.98 0.52 -0.62 0.00 0.00 178.44 176.58 1okd n VAL 132 N -4.53 1.78 -0.98 1.05 0.31 -1.12 -4.27 118.33 110.57 1okd n VAL 132 Ca 0.18 -0.66 -0.04 0.00 -0.01 0.00 0.00 64.34 63.81 1okd n VAL 132 Cb 0.62 -1.71 0.32 0.00 -0.91 0.00 0.00 33.84 32.16 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 -3.47 3.91 -3.15 5.55 4.76 0.34 -4.59 118.16 121.51 1okd n LYS 133 Ca -0.31 -3.04 -0.20 0.00 -2.87 0.00 0.00 58.31 51.88 1okd n LYS 133 Cb 1.05 -2.22 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 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 -0.00 -0.94 -0.67 4.39 2.03 0.42 -4.84 116.55 116.93 1okd n ASP 134 Ca 0.39 -2.68 0.02 0.00 0.52 0.00 0.00 54.79 53.03 1okd n ASP 134 Cb 1.35 0.02 0.08 0.00 -0.72 0.00 0.00 41.12 41.86 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1okd n PRO 135 N 2.16 1.72 -0.02 -0.67 -0.04 -1.26 -3.50 135.00 133.38 1okd n PRO 135 Ca 0.22 -0.64 -0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1okd n PRO 135 Cb 0.53 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.09 1.68 -1.79 0.54 1.02 -1.26 -4.99 120.64 115.93 1okd n GLU 136 Ca 0.06 -0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1okd n GLU 136 Cb 0.37 -1.19 -0.04 0.00 -0.02 0.00 0.00 31.44 30.56 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 2.33 0.66 0.10 0.62 0.00 -1.23 -4.79 105.19 102.88 1okd n GLY 137 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.24 -1.30 1.61 0.28 -1.26 -3.62 120.64 114.30 1okd n GLU 138 Ca -0.15 0.23 0.04 0.00 -0.16 0.00 0.00 57.16 57.11 1okd n GLU 138 Cb 0.53 -1.79 0.05 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 0.24 -0.23 3.44 6.02 -1.26 -4.96 117.38 118.41 1okd n GLN 139 Ca 0.05 -2.14 0.14 0.00 -0.01 0.00 0.00 57.00 55.04 1okd n GLN 139 Cb 0.40 -0.27 0.26 0.00 1.02 0.00 0.00 30.24 31.65 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 0.22 0.54 0.62 1.08 -1.74 -1.24 0.37 117.46 117.33 1okd n PHE 140 Ca 0.08 0.82 0.03 0.00 -0.56 0.00 0.00 57.45 57.82 1okd n PHE 140 Cb 1.06 -1.08 0.15 0.00 1.52 0.00 0.00 39.48 41.13 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 -4.82 0.31 -1.07 3.97 -0.04 -1.26 -4.82 135.00 127.28 1okd n PRO 141 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1okd n PRO 141 Cb 0.63 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.75 0.00 -2.73 0.54 8.01 1.19 -4.36 117.44 119.34 1okd n TRP 142 Ca 0.04 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.81 1okd n TRP 142 Cb 0.02 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.29 1okd n TRP 142 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1okd s LYS 143 N -1.18 4.55 -0.17 -0.99 1.02 -1.26 -4.61 119.74 117.10 1okd s LYS 143 Ca 0.00 1.39 -0.08 0.00 0.02 0.00 0.00 55.97 57.30 1okd s LYS 143 Cb 0.00 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1okd s LYS 143 CO 0.00 -0.04 0.11 0.16 -0.92 0.00 0.00 175.35 174.66 1okd s ASP 144 N 0.99 6.06 0.14 2.83 -4.77 -1.26 -5.00 116.67 115.65 1okd s ASP 144 Ca 0.51 0.25 0.00 0.00 -3.30 0.00 0.00 52.55 50.01 1okd s ASP 144 Cb -0.21 -2.02 0.00 0.00 -1.09 0.00 0.00 42.92 39.60 1okd s ASP 144 CO 0.27 0.25 0.00 0.00 0.70 0.00 0.00 175.17 176.39 1okd n ALA 145 N 3.05 -2.73 -2.43 2.11 0.00 -1.26 -4.47 120.51 114.78 1okd n ALA 145 Ca -0.17 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 1okd n ALA 145 Cb 0.53 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1okd n ALA 145 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1okd s PRO 146 N -1.60 3.77 0.61 0.00 0.04 -1.26 -4.65 135.00 131.91 1okd s PRO 146 Ca 0.00 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1okd s PRO 146 Cb 0.00 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1okd s PRO 146 CO 0.00 -1.31 0.00 -0.11 0.04 0.00 0.00 177.00 175.62 1okd n LEU 147 N 8.05 0.00 -3.61 -3.56 7.94 -1.26 -4.63 117.00 119.92 1okd n LEU 147 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1okd n LEU 147 Cb 0.47 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.42 1okd n LEU 147 CO 0.67 0.00 1.05 -1.83 -1.11 0.00 0.00 177.39 176.17 1okd s GLU 148 N 0.00 0.36 0.00 1.96 -1.05 -1.26 -4.88 118.70 113.83 1okd s GLU 148 Ca 0.00 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 1okd s GLU 148 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1okd s GLU 148 CO 0.00 -0.16 0.00 1.58 0.95 0.00 0.00 175.26 177.63