#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki s LEU 2 N 0.00 3.07 -0.01 -0.89 2.34 -1.26 -5.02 118.68 116.90 1wki s LEU 2 Ca 0.00 2.32 -0.01 0.00 0.06 0.00 0.00 54.13 56.49 1wki s LEU 2 Cb 0.00 -4.58 -0.04 0.00 -0.56 0.00 0.00 46.19 41.01 1wki s LEU 2 CO 0.00 -2.77 0.10 -0.04 -1.06 0.00 0.00 176.35 172.58 1wki s MET 3 N -4.28 3.16 0.42 1.48 -1.94 -1.26 -5.01 119.30 111.87 1wki s MET 3 Ca 0.71 -0.43 0.23 0.00 -1.71 0.00 0.00 55.69 54.49 1wki s MET 3 Cb -0.27 -2.92 0.76 0.00 2.01 0.00 0.00 34.83 34.41 1wki s MET 3 CO 0.52 0.66 1.76 -1.00 -0.01 0.00 0.00 175.02 176.95 1wki h PRO 4 N 4.11 0.00 -2.80 2.03 0.13 -2.03 -3.49 132.00 129.95 1wki h PRO 4 Ca -0.49 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.93 1wki h PRO 4 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1wki h PRO 4 CO 0.63 0.26 -0.90 -2.13 -0.23 0.00 0.00 178.00 175.63 1wki n ARG 5 N -3.35 -2.64 -3.63 0.86 0.63 -1.26 -4.95 116.66 102.32 1wki n ARG 5 Ca 0.01 2.08 -0.19 0.00 -0.92 0.00 0.00 57.85 58.82 1wki n ARG 5 Cb 0.48 -3.11 -0.16 0.00 0.45 0.00 0.00 32.46 30.12 1wki n ARG 5 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1wki s ARG 6 N -3.58 0.05 0.63 -0.14 6.06 -1.26 -5.15 118.95 115.56 1wki s ARG 6 Ca 0.00 0.36 -0.06 0.00 -2.50 0.00 0.00 55.73 53.53 1wki s ARG 6 Cb 0.00 -0.74 0.03 0.00 0.06 0.00 0.00 34.95 34.30 1wki s ARG 6 CO 0.00 -0.43 0.94 -1.64 -2.50 0.00 0.00 175.30 171.67 1wki s MET 7 N 2.25 2.61 0.68 5.12 -1.94 -1.26 -5.10 119.30 121.65 1wki s MET 7 Ca 0.04 -0.14 0.02 0.00 -1.71 0.00 0.00 55.69 53.90 1wki s MET 7 Cb -0.13 -2.24 0.11 0.00 2.01 0.00 0.00 34.83 34.58 1wki s MET 7 CO -0.07 -0.92 0.93 0.21 -0.01 0.00 0.00 175.02 175.16 1wki s LYS 8 N -5.08 1.87 -0.44 2.03 2.20 -1.26 -4.81 119.74 114.25 1wki s LYS 8 Ca 0.57 -1.24 -0.10 0.00 -0.36 0.00 0.00 55.97 54.84 1wki s LYS 8 Cb -0.11 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1wki s LYS 8 CO 0.45 -1.27 0.53 0.66 -0.36 0.00 0.00 175.35 175.36 1wki n TYR 9 N -2.66 -2.86 -3.89 4.03 4.02 -1.26 -5.01 117.16 109.52 1wki n TYR 9 Ca 0.15 1.14 -0.35 0.00 -0.01 0.00 0.00 57.90 58.82 1wki n TYR 9 Cb 0.61 -3.72 -0.14 0.00 -0.02 0.00 0.00 39.34 36.07 1wki n TYR 9 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1wki s ARG 10 N -2.55 3.22 -1.08 -0.72 1.81 -1.26 -5.02 118.95 113.35 1wki s ARG 10 Ca 0.15 -0.73 -0.26 0.00 -1.72 0.00 0.00 55.73 53.17 1wki s ARG 10 Cb -0.04 -3.07 -0.18 0.00 -0.45 0.00 0.00 34.95 31.21 1wki s ARG 10 CO 0.65 -0.28 2.09 0.15 -0.68 0.00 0.00 175.30 177.23 1wki s LYS 11 N 1.45 1.59 -0.29 3.54 -0.14 -1.26 -4.88 119.74 119.76 1wki s LYS 11 Ca 0.04 -0.54 -0.08 0.00 -1.36 0.00 0.00 55.97 54.03 1wki s LYS 11 Cb -0.15 -5.03 -0.01 0.00 -1.68 0.00 0.00 37.83 30.95 1wki s LYS 11 CO -0.03 -4.96 0.10 -0.65 -0.76 0.00 0.00 175.35 169.06 1wki s GLN 12 N 7.93 3.38 -0.34 1.68 -0.21 -1.26 -5.00 119.66 125.84 1wki s GLN 12 Ca 0.79 -0.68 -0.25 0.00 0.02 0.00 0.00 55.36 55.24 1wki s GLN 12 Cb -0.05 -3.43 0.01 0.00 1.00 0.00 0.00 33.01 30.54 1wki s GLN 12 CO 0.15 -0.35 0.88 -1.14 -2.12 0.00 0.00 175.29 172.71 1wki s GLN 13 N 1.58 3.90 0.00 2.91 0.74 -1.26 -4.86 119.66 122.67 1wki s GLN 13 Ca 0.05 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.06 1wki s GLN 13 Cb -0.16 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.18 1wki s GLN 13 CO 0.04 -0.84 0.00 -2.13 -0.55 0.00 0.00 175.29 171.82 1wki n ARG 14 N 6.53 0.00 0.00 1.67 0.00 -1.26 -5.02 116.66 118.58 1wki n ARG 14 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1wki n ARG 14 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wki n GLY 15 N 2.77 0.87 1.89 5.14 0.00 -1.26 -4.74 105.19 109.86 1wki n GLY 15 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 1wki n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wki n ARG 16 N 0.00 -0.97 0.00 1.61 5.12 -1.26 -5.06 116.66 116.11 1wki n ARG 16 Ca 0.00 -1.00 0.00 0.00 -1.93 0.00 0.00 57.85 54.92 1wki n ARG 16 Cb 0.00 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 1wki n ARG 16 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wki n LEU 17 N 0.00 0.00 0.00 0.55 7.99 -1.26 -4.85 117.00 119.42 1wki n LEU 17 Ca 0.08 0.00 0.14 0.00 -0.01 0.00 0.00 56.01 56.22 1wki n LEU 17 Cb 0.29 0.00 0.65 0.00 -0.11 0.00 0.00 43.42 44.25 1wki n LEU 17 CO 0.21 -1.26 0.96 2.29 -1.51 0.00 0.00 177.39 178.08 1wki n LYS 18 N -1.48 0.20 -1.74 3.23 2.85 -1.26 -4.58 118.16 115.38 1wki n LYS 18 Ca 0.00 0.02 -0.33 0.00 -1.05 0.00 0.00 58.31 56.95 1wki n LYS 18 Cb 0.00 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wki n GLY 19 N 1.23 1.50 3.74 2.58 0.00 -1.26 -4.92 105.19 108.07 1wki n GLY 19 Ca 0.10 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1wki n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wki s ALA 20 N 9.02 3.73 0.91 4.61 0.00 -1.26 -5.01 121.76 133.76 1wki s ALA 20 Ca 0.65 1.46 -0.10 0.00 0.00 0.00 0.00 51.96 53.97 1wki s ALA 20 Cb 0.05 -3.62 0.17 0.00 0.00 0.00 0.00 23.12 19.72 1wki s ALA 20 CO 0.14 -0.87 1.07 0.25 0.00 0.00 0.00 175.76 176.35 1wki n THR 21 N 2.70 0.00 -0.73 0.00 -2.24 -1.26 -5.07 114.28 107.68 1wki n THR 21 Ca 0.09 -1.00 -0.30 0.00 -2.27 0.00 0.00 64.05 60.58 1wki n THR 21 Cb 0.38 -1.39 0.25 0.00 -2.10 0.00 0.00 70.33 67.47 1wki n THR 21 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wki s LYS 22 N -5.29 -1.64 0.00 -0.78 1.02 -1.26 -4.94 119.74 106.85 1wki s LYS 22 Ca 0.63 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.85 1wki s LYS 22 Cb -0.02 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 1wki s LYS 22 CO 0.43 -4.05 0.00 0.41 -0.92 0.00 0.00 175.35 171.22 1wki n GLY 23 N 0.21 0.01 0.00 -3.33 0.00 -1.26 -5.15 105.19 95.67 1wki n GLY 23 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wki n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 24 N -0.39 -0.53 3.10 -0.02 0.00 -1.26 -5.04 105.19 101.04 1wki n GLY 24 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1wki n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 25 N 0.00 1.02 -3.72 1.61 9.92 -1.02 -5.08 116.55 119.28 1wki n ASP 25 Ca 0.00 -1.88 -0.24 0.00 -0.53 0.00 0.00 54.79 52.14 1wki n ASP 25 Cb 0.00 -0.53 -0.17 0.00 -0.64 0.00 0.00 41.12 39.77 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1wki s TYR 26 N -2.47 0.58 0.09 1.24 6.14 -1.26 -5.02 117.35 116.65 1wki s TYR 26 Ca 0.53 -0.28 -0.01 0.00 0.64 0.00 0.00 57.07 57.96 1wki s TYR 26 Cb -0.03 -0.79 0.19 0.00 0.42 0.00 0.00 41.96 41.75 1wki s TYR 26 CO 0.35 -0.40 0.45 0.28 0.64 0.00 0.00 175.55 176.88 1wki n VAL 27 N 5.17 -0.12 0.00 3.14 0.31 -1.26 -4.69 118.33 120.87 1wki n VAL 27 Ca -0.07 0.64 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 1wki n VAL 27 Cb 0.49 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki n ALA 28 N -3.66 0.00 -2.55 3.52 0.00 -1.26 -4.76 120.51 111.81 1wki n ALA 28 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 1wki n ALA 28 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 1wki n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wki s PHE 29 N 0.00 2.54 0.29 0.00 0.08 -1.26 -5.04 117.98 114.59 1wki s PHE 29 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1wki s PHE 29 Cb 0.00 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 1wki s PHE 29 CO 0.00 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 1wki n GLY 30 N -0.90 -4.09 0.31 4.36 0.00 -1.26 -4.64 105.19 98.98 1wki n GLY 30 Ca -0.05 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.31 1wki n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wki h ASP 31 N 1.23 0.00 -1.47 1.61 5.19 -1.58 -3.40 116.42 118.00 1wki h ASP 31 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 1wki h ASP 31 Cb 0.00 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.39 1wki h ASP 31 CO 0.00 0.00 -0.56 -0.31 -3.12 0.00 0.00 179.24 175.25 1wki s TYR 32 N -4.77 2.45 -0.28 4.55 2.02 -0.49 0.12 117.35 120.94 1wki s TYR 32 Ca -0.05 -0.69 -0.18 0.00 -0.37 0.00 0.00 57.07 55.78 1wki s TYR 32 Cb 0.16 -1.81 0.09 0.00 -0.40 0.00 0.00 41.96 40.01 1wki s TYR 32 CO 0.59 0.34 0.78 0.20 -1.57 0.00 0.00 175.55 175.89 1wki s GLY 33 N -3.79 -0.46 -0.34 0.71 0.00 0.33 -2.98 107.32 100.78 1wki s GLY 33 Ca 0.33 2.52 -0.20 0.00 0.00 0.00 0.00 44.72 47.37 1wki s GLY 33 CO 0.17 2.29 0.61 -2.27 0.00 0.00 0.00 173.10 173.90 1wki s LEU 34 N 1.26 4.25 -0.00 0.66 1.98 0.30 -1.44 118.68 125.69 1wki s LEU 34 Ca -0.07 0.17 -0.01 0.00 -2.89 0.00 0.00 54.13 51.33 1wki s LEU 34 Cb -0.05 -2.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.01 1wki s LEU 34 CO -0.14 -0.55 0.10 0.54 -1.89 0.00 0.00 176.35 174.41 1wki s VAL 35 N 2.62 4.86 -0.33 1.68 0.11 -0.79 -0.04 120.40 128.51 1wki s VAL 35 Ca 0.23 -0.38 -0.16 0.00 -2.93 0.00 0.00 61.98 58.75 1wki s VAL 35 Cb -0.15 -3.23 -0.01 0.00 -1.53 0.00 0.00 36.38 31.45 1wki s VAL 35 CO 0.14 0.34 0.41 0.00 -3.33 0.00 0.00 175.10 172.66 1wki s ALA 36 N -1.23 3.51 -0.58 1.54 0.00 0.08 -1.87 121.76 123.21 1wki s ALA 36 Ca 0.24 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1wki s ALA 36 Cb -0.12 -2.86 0.44 0.00 0.00 0.00 0.00 23.12 20.58 1wki s ALA 36 CO 0.15 -1.03 1.18 1.28 0.00 0.00 0.00 175.76 177.35 1wki n LEU 37 N 5.48 3.61 -3.62 0.00 4.77 0.28 0.12 117.00 127.64 1wki n LEU 37 Ca -0.08 -1.84 -0.12 0.00 -0.03 0.00 0.00 56.01 53.95 1wki n LEU 37 Cb 0.49 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1wki n LEU 37 CO 0.41 0.47 0.58 -0.70 -1.33 0.00 0.00 177.39 176.82 1wki s GLU 38 N -1.94 0.69 0.04 3.23 2.12 -1.25 -4.71 118.70 116.89 1wki s GLU 38 Ca 0.29 0.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.05 1wki s GLU 38 Cb 0.22 0.33 -0.07 0.00 0.26 0.00 0.00 34.13 34.88 1wki s GLU 38 CO 0.08 -0.10 1.51 -1.25 -0.54 0.00 0.00 175.26 174.97 1wki s PRO 39 N 0.15 4.25 0.28 4.30 0.04 -1.26 -4.46 135.00 138.30 1wki s PRO 39 Ca 0.01 2.14 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 1wki s PRO 39 Cb -0.04 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1wki s PRO 39 CO -0.02 -0.64 0.57 0.00 0.04 0.00 0.00 177.00 176.95 1wki s ALA 40 N 2.40 -0.38 -0.38 8.56 0.00 -1.18 -4.97 121.76 125.80 1wki s ALA 40 Ca 0.68 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1wki s ALA 40 Cb -0.36 0.99 0.06 0.00 0.00 0.00 0.00 23.12 23.81 1wki s ALA 40 CO 0.29 -0.90 0.19 -1.58 0.00 0.00 0.00 175.76 173.76 1wki s TRP 41 N -3.68 3.31 -0.30 0.00 0.51 -1.26 -1.65 118.94 115.87 1wki s TRP 41 Ca 0.20 -1.48 -0.26 0.00 -2.12 0.00 0.00 56.10 52.44 1wki s TRP 41 Cb -0.02 -2.66 0.01 0.00 -0.81 0.00 0.00 33.47 29.99 1wki s TRP 41 CO 0.10 -0.79 0.92 0.42 -0.51 0.00 0.00 176.95 177.09 1wki s ILE 42 N 1.41 4.68 0.79 2.03 -1.09 -1.01 -4.71 121.20 123.31 1wki s ILE 42 Ca 0.01 1.50 -0.12 0.00 -2.23 0.00 0.00 60.65 59.81 1wki s ILE 42 Cb -0.21 -4.26 0.06 0.00 -1.58 0.00 0.00 42.46 36.47 1wki s ILE 42 CO 0.02 -0.31 1.14 0.42 -1.23 0.00 0.00 174.94 174.98 1wki s THR 43 N 3.22 2.61 0.22 2.92 -4.23 -1.26 0.29 115.64 119.41 1wki s THR 43 Ca 0.38 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1wki s THR 43 Cb -0.14 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 70.73 1wki s THR 43 CO 0.12 -0.26 1.82 0.00 -0.54 0.00 0.00 174.62 175.76 1wki h ALA 44 N -0.99 0.97 -0.97 3.99 0.00 -1.91 -1.88 119.26 118.48 1wki h ALA 44 Ca -0.46 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1wki h ALA 44 Cb 1.30 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1wki h ALA 44 CO 0.64 0.10 0.63 1.96 0.00 0.00 0.00 179.25 182.57 1wki h GLN 45 N 0.75 1.08 -0.53 0.00 1.08 -1.93 -1.34 115.11 114.21 1wki h GLN 45 Ca 0.32 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.49 1wki h GLN 45 Cb 0.19 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1wki h GLN 45 CO -0.18 0.71 0.35 1.96 -0.95 0.00 0.00 178.83 180.72 1wki h GLN 46 N 1.11 0.59 0.02 1.46 1.08 -1.70 2.37 115.11 120.03 1wki h GLN 46 Ca 0.42 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1wki h GLN 46 Cb 0.20 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1wki h GLN 46 CO -0.17 0.39 -0.01 0.82 -0.95 0.00 0.00 178.83 178.92 1wki h ILE 47 N 0.61 1.38 0.08 2.54 2.04 -1.20 -2.78 117.51 120.19 1wki h ILE 47 Ca 0.22 -1.26 -0.17 0.00 1.00 0.00 0.00 64.86 64.64 1wki h ILE 47 Cb 0.10 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1wki h ILE 47 CO -0.06 0.32 -0.85 -0.08 0.00 0.00 0.00 178.15 177.48 1wki h GLU 48 N -0.57 0.17 -0.50 2.37 4.57 -1.17 -3.00 114.58 116.44 1wki h GLU 48 Ca -0.00 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 57.97 1wki h GLU 48 Cb 0.55 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.18 1wki h GLU 48 CO 0.00 1.14 0.12 0.00 -1.18 0.00 0.00 179.01 179.09 1wki h ALA 49 N -0.05 0.58 -0.40 2.92 0.00 0.39 0.99 119.26 123.69 1wki h ALA 49 Ca -0.18 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1wki h ALA 49 Cb 1.47 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1wki h ALA 49 CO 0.04 -0.29 -0.14 0.00 0.00 0.00 0.00 179.25 178.86 1wki h ALA 50 N 1.38 0.56 -0.56 0.00 0.00 -1.54 -2.95 119.26 116.15 1wki h ALA 50 Ca 0.25 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wki h ALA 50 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1wki h ALA 50 CO -0.31 0.47 0.36 0.00 0.00 0.00 0.00 179.25 179.76 1wki h ARG 51 N 0.61 0.70 -0.81 0.00 2.47 -1.23 -0.59 114.38 115.53 1wki h ARG 51 Ca 0.10 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.83 1wki h ARG 51 Cb 0.68 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.80 1wki h ARG 51 CO 0.05 0.46 0.53 0.28 0.56 0.00 0.00 179.97 181.85 1wki h VAL 52 N 0.72 1.07 -0.12 2.04 2.07 -0.77 0.30 116.25 121.57 1wki h VAL 52 Ca 0.21 -0.32 -0.22 0.00 0.82 0.00 0.00 66.70 67.20 1wki h VAL 52 Cb -0.04 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1wki h VAL 52 CO -0.07 0.17 -0.78 0.00 0.02 0.00 0.00 177.57 176.91 1wki h ALA 53 N 1.55 0.38 -0.09 1.67 0.00 -1.22 -2.82 119.26 118.74 1wki h ALA 53 Ca 0.34 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1wki h ALA 53 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wki h ALA 53 CO -0.11 0.71 -0.14 0.52 0.00 0.00 0.00 179.25 180.22 1wki h MET 54 N 0.45 0.25 -0.93 0.00 2.07 -0.44 -0.99 114.93 115.34 1wki h MET 54 Ca -0.05 -0.15 0.07 0.00 -2.07 0.00 0.00 59.70 57.49 1wki h MET 54 Cb 1.40 0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 31.08 1wki h MET 54 CO 0.15 0.73 0.59 0.28 1.07 0.00 0.00 176.91 179.73 1wki h VAL 55 N -0.20 1.05 0.00 -2.22 2.07 -0.50 -1.19 116.25 115.24 1wki h VAL 55 Ca 0.01 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 1wki h VAL 55 Cb 0.71 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1wki h VAL 55 CO 0.03 0.19 -0.72 0.03 0.02 0.00 0.00 177.57 177.12 1wki h ARG 56 N 1.05 0.00 0.13 1.57 3.08 -1.50 -3.30 114.38 115.41 1wki h ARG 56 Ca 0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 1wki h ARG 56 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1wki h ARG 56 CO -0.18 0.72 -0.06 1.25 -1.07 0.00 0.00 179.97 180.63 1wki h HIS 57 N 0.00 -0.16 -1.63 3.04 2.76 0.01 -3.43 115.15 115.74 1wki h HIS 57 Ca -0.01 -0.00 -0.72 0.00 -2.20 0.00 0.00 60.37 57.44 1wki h HIS 57 Cb 1.32 0.05 0.02 0.00 1.55 0.00 0.00 27.41 30.35 1wki h HIS 57 CO 0.00 0.05 0.92 1.19 -1.30 0.00 0.00 177.93 178.79 1wki n PHE 58 N -5.08 2.08 0.28 5.26 3.72 -0.79 -4.87 117.46 118.05 1wki n PHE 58 Ca -0.09 0.46 -0.16 0.00 -0.05 0.00 0.00 57.45 57.61 1wki n PHE 58 Cb 0.16 -2.49 -0.08 0.00 -0.94 0.00 0.00 39.48 36.13 1wki n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wki h ARG 59 N 7.41 -0.77 -1.05 -1.08 3.08 -1.90 -2.70 114.38 117.37 1wki h ARG 59 Ca -0.47 0.05 -0.48 0.00 0.07 0.00 0.00 59.98 59.16 1wki h ARG 59 Cb 1.31 0.17 -0.25 0.00 0.08 0.00 0.00 29.97 31.28 1wki h ARG 59 CO 0.95 -0.51 0.61 0.54 -1.07 0.00 0.00 179.97 180.49 1wki n ARG 60 N -5.47 2.16 -0.99 0.04 1.74 -1.26 -5.02 116.66 107.86 1wki n ARG 60 Ca -0.11 -2.60 0.03 0.00 -0.77 0.00 0.00 57.85 54.40 1wki n ARG 60 Cb 0.37 -2.02 -0.02 0.00 -1.02 0.00 0.00 32.46 29.77 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 61 N -0.77 -3.49 3.42 -0.13 0.00 -1.02 -5.06 105.19 98.14 1wki n GLY 61 Ca 0.51 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 1wki n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wki s GLY 62 N -4.99 -0.46 -0.08 -0.02 0.00 -1.26 -4.74 107.32 95.77 1wki s GLY 62 Ca 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 44.72 45.55 1wki s GLY 62 CO 0.00 0.54 0.02 -1.59 0.00 0.00 0.00 173.10 172.07 1wki s LYS 63 N -1.81 3.03 -0.01 2.90 -2.85 -1.26 -4.75 119.74 114.99 1wki s LYS 63 Ca -0.09 -0.38 0.07 0.00 -1.00 0.00 0.00 55.97 54.57 1wki s LYS 63 Cb -0.01 -2.84 -0.02 0.00 -2.06 0.00 0.00 37.83 32.90 1wki s LYS 63 CO 0.04 0.71 -0.24 0.42 0.10 0.00 0.00 175.35 176.38 1wki s ILE 64 N -0.93 1.87 -0.35 3.79 1.01 -1.26 -2.94 121.20 122.40 1wki s ILE 64 Ca 0.14 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 1wki s ILE 64 Cb -0.11 -1.56 0.04 0.00 0.01 0.00 0.00 42.46 40.84 1wki s ILE 64 CO 0.03 0.50 0.12 -0.36 0.00 0.00 0.00 174.94 175.24 1wki s PHE 65 N -0.58 3.27 -0.12 3.97 0.08 0.29 -4.92 117.98 119.98 1wki s PHE 65 Ca 0.09 -1.45 -0.18 0.00 0.12 0.00 0.00 56.93 55.50 1wki s PHE 65 Cb -0.09 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1wki s PHE 65 CO -0.01 -0.75 0.49 0.42 -0.10 0.00 0.00 175.22 175.28 1wki s ILE 66 N 1.40 5.18 -0.17 0.64 -1.09 -1.26 -2.33 121.20 123.57 1wki s ILE 66 Ca -0.01 0.98 0.17 0.00 -2.23 0.00 0.00 60.65 59.56 1wki s ILE 66 Cb -0.20 -3.83 0.39 0.00 -1.58 0.00 0.00 42.46 37.24 1wki s ILE 66 CO 0.03 0.32 1.27 -1.14 -1.23 0.00 0.00 174.94 174.18 1wki n ARG 67 N 3.70 1.85 -4.89 2.79 3.00 -1.16 -4.99 116.66 116.96 1wki n ARG 67 Ca -0.07 -2.78 -0.27 0.00 -0.00 0.00 0.00 57.85 54.74 1wki n ARG 67 Cb 0.52 -1.64 -0.16 0.00 0.00 0.00 0.00 32.46 31.17 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wki s ILE 68 N -2.93 1.51 0.01 5.15 -4.36 -1.26 -4.97 121.20 114.35 1wki s ILE 68 Ca 0.37 -0.76 0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1wki s ILE 68 Cb 0.32 -1.30 -0.01 0.00 1.25 0.00 0.00 42.46 42.72 1wki s ILE 68 CO 0.04 0.43 -0.06 0.12 0.24 0.00 0.00 174.94 175.71 1wki s PHE 69 N 0.01 0.53 -0.49 1.37 5.36 -1.26 -5.02 117.98 118.47 1wki s PHE 69 Ca -0.04 -0.20 -0.28 0.00 -0.96 0.00 0.00 56.93 55.45 1wki s PHE 69 Cb -0.12 -0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.24 1wki s PHE 69 CO 0.02 -0.03 1.52 -1.25 -1.46 0.00 0.00 175.22 174.03 1wki s PRO 70 N -0.52 3.31 -0.08 10.12 0.04 -1.26 -4.27 135.00 142.34 1wki s PRO 70 Ca -0.01 0.77 0.11 0.00 0.04 0.00 0.00 61.00 61.91 1wki s PRO 70 Cb -0.04 -4.14 0.19 0.00 0.04 0.00 0.00 34.50 30.56 1wki s PRO 70 CO -0.00 -1.91 1.10 -0.25 0.04 0.00 0.00 177.00 175.98 1wki n ASP 71 N 9.83 1.30 -3.69 6.66 9.92 -0.24 -4.71 116.55 135.62 1wki n ASP 71 Ca 0.16 -2.65 -0.21 0.00 -0.53 0.00 0.00 54.79 51.56 1wki n ASP 71 Cb 0.49 -0.34 -0.18 0.00 -0.64 0.00 0.00 41.12 40.45 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wki s LYS 72 N -1.60 0.06 0.38 -1.24 -0.14 -0.76 -4.95 119.74 111.50 1wki s LYS 72 Ca 0.20 0.31 -0.26 0.00 -1.36 0.00 0.00 55.97 54.87 1wki s LYS 72 Cb 0.18 -0.64 -0.12 0.00 -1.68 0.00 0.00 37.83 35.57 1wki s LYS 72 CO -0.00 -0.34 1.04 -2.30 -0.76 0.00 0.00 175.35 172.99 1wki n PRO 73 N 5.27 1.43 -3.81 -1.68 -0.02 -1.26 0.27 135.00 135.20 1wki n PRO 73 Ca -0.04 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 1wki n PRO 73 Cb 0.50 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 1wki n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wki s TYR 74 N -1.21 2.38 0.08 6.00 6.14 -0.74 -4.73 117.35 125.28 1wki s TYR 74 Ca 0.61 -2.36 0.10 0.00 0.64 0.00 0.00 57.07 56.06 1wki s TYR 74 Cb -0.59 -2.14 -0.03 0.00 0.42 0.00 0.00 41.96 39.62 1wki s TYR 74 CO 0.58 -0.85 -0.25 0.95 0.64 0.00 0.00 175.55 176.62 1wki s THR 75 N 0.90 2.32 -0.34 4.34 -4.23 -1.26 -1.58 115.64 115.79 1wki s THR 75 Ca 0.13 -1.52 0.16 0.00 -1.18 0.00 0.00 61.69 59.28 1wki s THR 75 Cb -0.21 -1.97 0.44 0.00 1.34 0.00 0.00 72.50 72.10 1wki s THR 75 CO -0.11 0.23 0.95 0.29 -0.54 0.00 0.00 174.62 175.44 1wki n LYS 76 N 1.33 1.42 -4.49 3.99 5.02 -1.26 -5.03 118.16 119.14 1wki n LYS 76 Ca -0.17 -3.43 -0.34 0.00 -2.02 0.00 0.00 58.31 52.35 1wki n LYS 76 Cb 0.52 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 34.02 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wki s LYS 77 N -3.12 2.98 1.09 1.97 -0.14 -1.26 -5.12 119.74 116.14 1wki s LYS 77 Ca 0.31 -0.48 -0.18 0.00 -1.36 0.00 0.00 55.97 54.26 1wki s LYS 77 Cb 0.44 -2.72 0.25 0.00 -1.68 0.00 0.00 37.83 34.12 1wki s LYS 77 CO 0.00 0.62 1.21 -1.25 -0.76 0.00 0.00 175.35 175.17 1wki s PRO 78 N -0.68 -0.39 -0.28 -1.68 0.04 -1.26 -5.04 135.00 125.71 1wki s PRO 78 Ca 0.11 -0.22 -0.07 0.00 0.04 0.00 0.00 61.00 60.85 1wki s PRO 78 Cb -0.12 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 1wki s PRO 78 CO 0.02 -3.13 0.09 -1.17 0.04 0.00 0.00 177.00 172.85 1wki s LEU 79 N -6.47 3.76 0.11 -3.56 2.96 -1.26 -4.79 118.68 109.43 1wki s LEU 79 Ca 0.72 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1wki s LEU 79 Cb -0.07 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1wki s LEU 79 CO 0.55 -0.14 0.00 1.21 -1.32 0.00 0.00 176.35 176.64 1wki n GLU 80 N 4.90 0.00 -3.38 1.98 2.13 -1.26 -5.13 120.64 119.88 1wki n GLU 80 Ca -0.15 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.34 1wki n GLU 80 Cb 0.49 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.15 1wki n GLU 80 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wki s VAL 81 N -2.00 4.89 -0.32 6.31 -7.23 -1.26 -5.01 120.40 115.78 1wki s VAL 81 Ca 0.00 0.64 0.07 0.00 -1.81 0.00 0.00 61.98 60.88 1wki s VAL 81 Cb 0.00 -3.66 0.46 0.00 0.56 0.00 0.00 36.38 33.73 1wki s VAL 81 CO 0.00 0.05 1.28 -2.11 -0.31 0.00 0.00 175.10 174.01 1wki n ARG 82 N 0.22 3.29 -4.21 4.82 1.85 -1.26 -5.02 116.66 116.36 1wki n ARG 82 Ca -0.02 -3.98 -0.20 0.00 -1.00 0.00 0.00 57.85 52.65 1wki n ARG 82 Cb 0.52 -2.21 -0.12 0.00 -1.05 0.00 0.00 32.46 29.60 1wki n ARG 82 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1wki s MET 83 N -3.58 0.91 0.14 2.89 1.75 -1.26 -5.16 119.30 115.00 1wki s MET 83 Ca 0.51 -1.02 0.05 0.00 -1.25 0.00 0.00 55.69 53.98 1wki s MET 83 Cb 0.42 -1.00 -0.04 0.00 2.84 0.00 0.00 34.83 37.05 1wki s MET 83 CO 0.02 0.23 -0.11 0.20 -0.65 0.00 0.00 175.02 174.71 1wki s GLY 84 N -1.79 1.07 0.10 2.11 0.00 -1.26 -5.04 107.32 102.51 1wki s GLY 84 Ca 0.01 -1.45 0.23 0.00 0.00 0.00 0.00 44.72 43.51 1wki s GLY 84 CO 0.03 -1.54 0.92 1.17 0.00 0.00 0.00 173.10 173.68 1wki n LYS 85 N -0.04 0.51 0.00 2.90 3.00 -1.26 -5.00 118.16 118.27 1wki n LYS 85 Ca -0.11 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 1wki n LYS 85 Cb 0.60 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 86 N 1.26 3.19 0.05 3.14 0.00 -1.26 -4.88 105.19 106.69 1wki n GLY 86 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 1wki n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wki n LYS 87 N 0.00 2.16 0.00 1.61 -0.00 -1.26 -5.13 118.16 115.55 1wki n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wki n LYS 87 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.76 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 88 N 2.40 -1.33 3.05 2.58 0.00 -1.26 -4.73 105.19 105.90 1wki n GLY 88 Ca -0.17 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1wki n GLY 88 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wki n ASN 89 N -0.37 2.67 -4.80 1.61 2.85 -1.26 -4.92 115.26 111.04 1wki n ASN 89 Ca 0.00 -2.70 -0.34 0.00 -0.11 0.00 0.00 54.58 51.44 1wki n ASN 89 Cb 0.00 -1.17 -0.03 0.00 1.24 0.00 0.00 39.78 39.82 1wki n ASN 89 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wki s VAL 90 N 4.79 3.78 -0.48 3.44 0.11 -1.26 -4.95 120.40 125.84 1wki s VAL 90 Ca 0.56 1.06 -0.04 0.00 -2.93 0.00 0.00 61.98 60.64 1wki s VAL 90 Cb 0.14 -3.44 0.08 0.00 -1.53 0.00 0.00 36.38 31.64 1wki s VAL 90 CO 0.09 -0.29 2.73 -0.62 -3.33 0.00 0.00 175.10 173.69 1wki n GLU 91 N -1.16 2.43 -1.38 1.54 -0.58 -0.61 -4.99 120.64 115.88 1wki n GLU 91 Ca 0.09 -2.42 0.19 0.00 -0.42 0.00 0.00 57.16 54.60 1wki n GLU 91 Cb 0.53 -2.15 -0.05 0.00 -0.57 0.00 0.00 31.44 29.19 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wki n GLY 92 N 0.79 -2.01 3.97 0.62 0.00 -1.26 -4.65 105.19 102.65 1wki n GLY 92 Ca 0.49 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 1wki n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wki s TYR 93 N -2.37 3.16 0.37 1.61 1.51 -1.26 -1.79 117.35 118.58 1wki s TYR 93 Ca 0.00 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1wki s TYR 93 Cb 0.00 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1wki s TYR 93 CO 0.00 0.11 0.09 0.14 -1.11 0.00 0.00 175.55 174.78 1wki s VAL 94 N -2.15 0.86 -0.28 0.71 -7.23 0.14 -3.06 120.40 109.40 1wki s VAL 94 Ca 0.42 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1wki s VAL 94 Cb -0.09 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.40 1wki s VAL 94 CO 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 175.10 1wki s ALA 95 N -3.26 2.06 0.19 1.32 0.00 0.15 -1.08 121.76 121.13 1wki s ALA 95 Ca 0.29 -1.71 -0.32 0.00 0.00 0.00 0.00 51.96 50.22 1wki s ALA 95 Cb 0.05 -1.60 -0.12 0.00 0.00 0.00 0.00 23.12 21.45 1wki s ALA 95 CO 0.14 -1.43 1.74 0.28 0.00 0.00 0.00 175.76 176.49 1wki n VAL 96 N 4.62 0.08 -4.37 0.00 0.31 -1.26 -2.39 118.33 115.31 1wki n VAL 96 Ca -0.05 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.07 1wki n VAL 96 Cb 0.43 -2.00 -0.10 0.00 -0.91 0.00 0.00 33.84 31.26 1wki n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wki s VAL 97 N 1.49 1.66 0.13 2.52 1.01 -0.66 -4.99 120.40 121.56 1wki s VAL 97 Ca 0.77 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.63 1wki s VAL 97 Cb -0.51 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1wki s VAL 97 CO 0.34 -0.48 -0.12 -1.59 0.00 0.00 0.00 175.10 173.25 1wki s LYS 98 N -3.69 1.00 -0.21 2.72 -2.85 -1.26 -3.11 119.74 112.34 1wki s LYS 98 Ca 0.25 -1.29 -0.38 0.00 -1.00 0.00 0.00 55.97 53.56 1wki s LYS 98 Cb 0.01 -0.74 -0.14 0.00 -2.06 0.00 0.00 37.83 34.90 1wki s LYS 98 CO 0.09 0.12 1.82 -2.30 0.10 0.00 0.00 175.35 175.18 1wki n PRO 99 N 0.30 1.54 -0.39 1.78 -0.02 -1.24 -2.20 135.00 134.78 1wki n PRO 99 Ca -0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1wki n PRO 99 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wki n GLY 100 N 4.39 1.38 3.28 -1.23 0.00 0.33 -4.92 105.19 108.41 1wki n GLY 100 Ca 0.26 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1wki n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 101 N -1.23 3.30 -0.55 1.61 1.81 -0.93 -2.42 118.95 120.54 1wki s ARG 101 Ca 0.00 -0.67 -0.28 0.00 -1.72 0.00 0.00 55.73 53.05 1wki s ARG 101 Cb 0.00 -2.86 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 1wki s ARG 101 CO 0.00 -0.13 1.36 0.08 -0.68 0.00 0.00 175.30 175.93 1wki s VAL 102 N 1.25 3.86 -0.11 3.52 1.01 -1.26 -0.74 120.40 127.93 1wki s VAL 102 Ca 0.03 0.76 0.10 0.00 0.00 0.00 0.00 61.98 62.87 1wki s VAL 102 Cb -0.14 -4.49 -0.24 0.00 0.00 0.00 0.00 36.38 31.51 1wki s VAL 102 CO -0.04 -1.17 0.42 0.23 0.00 0.00 0.00 175.10 174.54 1wki n MET 103 N 8.54 0.67 -4.21 2.72 0.00 0.94 -4.59 117.12 121.18 1wki n MET 103 Ca 0.12 0.21 -0.16 0.00 0.00 0.00 0.00 57.70 57.88 1wki n MET 103 Cb 0.49 -1.70 -0.11 0.00 0.00 0.00 0.00 33.22 31.90 1wki n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1wki s PHE 104 N -2.56 1.22 -0.22 2.03 0.40 -1.14 -2.96 117.98 114.75 1wki s PHE 104 Ca -0.11 -0.64 -0.08 0.00 -0.60 0.00 0.00 56.93 55.50 1wki s PHE 104 Cb 0.07 -0.64 0.10 0.00 0.51 0.00 0.00 43.02 43.06 1wki s PHE 104 CO 0.80 0.07 0.47 -1.21 0.70 0.00 0.00 175.22 176.05 1wki s GLU 105 N -2.94 0.39 0.27 0.44 8.01 -0.98 0.11 118.70 123.99 1wki s GLU 105 Ca 0.09 1.12 0.09 0.00 0.01 0.00 0.00 54.97 56.28 1wki s GLU 105 Cb -0.02 0.42 -0.04 0.00 -4.31 0.00 0.00 34.13 30.17 1wki s GLU 105 CO 0.01 -0.23 0.02 0.14 0.01 0.00 0.00 175.26 175.21 1wki s VAL 106 N 2.57 3.49 -0.13 2.63 -7.23 -1.16 0.11 120.40 120.68 1wki s VAL 106 Ca -0.03 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 1wki s VAL 106 Cb -0.12 -2.89 0.04 0.00 0.56 0.00 0.00 36.38 33.97 1wki s VAL 106 CO -0.14 -0.36 0.47 0.00 -0.31 0.00 0.00 175.10 174.75 1wki s ALA 107 N -2.32 -1.17 0.00 1.32 0.00 -1.15 -1.34 121.76 117.10 1wki s ALA 107 Ca 0.32 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1wki s ALA 107 Cb -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1wki s ALA 107 CO 0.20 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wki n GLY 108 N 2.23 2.83 3.83 0.00 0.00 -1.26 -4.08 105.19 108.74 1wki n GLY 108 Ca -0.16 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1wki n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wki s VAL 109 N -1.73 4.36 0.96 1.61 -7.23 -1.26 -5.04 120.40 112.08 1wki s VAL 109 Ca 0.00 1.21 -0.12 0.00 -1.81 0.00 0.00 61.98 61.26 1wki s VAL 109 Cb 0.00 -3.64 0.17 0.00 0.56 0.00 0.00 36.38 33.47 1wki s VAL 109 CO 0.00 -0.58 1.09 0.42 -0.31 0.00 0.00 175.10 175.72 1wki s THR 110 N -2.49 2.40 0.27 5.32 -4.23 -1.26 -4.61 115.64 111.04 1wki s THR 110 Ca 0.61 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 61.21 1wki s THR 110 Cb -0.11 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.51 1wki s THR 110 CO 0.28 -0.17 1.94 -0.08 -0.54 0.00 0.00 174.62 176.06 1wki h GLU 111 N -1.84 1.21 -0.27 3.99 4.81 -1.96 0.82 114.58 121.34 1wki h GLU 111 Ca -0.52 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.61 1wki h GLU 111 Cb 1.30 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1wki h GLU 111 CO 0.53 0.80 0.04 1.49 -0.73 0.00 0.00 179.01 181.14 1wki h GLU 112 N 1.24 0.44 -0.04 1.92 4.81 -1.98 0.44 114.58 121.41 1wki h GLU 112 Ca 0.35 -0.12 -0.24 0.00 -0.13 0.00 0.00 59.36 59.22 1wki h GLU 112 Cb -0.11 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.23 1wki h GLU 112 CO -0.08 0.56 -0.92 1.96 -0.73 0.00 0.00 179.01 179.79 1wki h GLN 113 N 0.25 0.60 -0.06 1.92 1.08 -1.83 -2.41 115.11 114.66 1wki h GLN 113 Ca 0.08 -0.59 -0.03 0.00 -1.45 0.00 0.00 58.65 56.66 1wki h GLN 113 Cb 0.34 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1wki h GLN 113 CO 0.01 1.21 -0.09 0.00 -0.95 0.00 0.00 178.83 179.00 1wki h ALA 114 N 0.60 0.09 -0.44 3.87 0.00 0.70 -0.95 119.26 123.13 1wki h ALA 114 Ca -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1wki h ALA 114 Cb 1.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wki h ALA 114 CO 0.17 -0.07 0.23 0.52 0.00 0.00 0.00 179.25 180.11 1wki h MET 115 N -0.30 0.62 -0.11 0.00 2.86 -0.22 0.49 114.93 118.28 1wki h MET 115 Ca 0.01 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1wki h MET 115 Cb 0.63 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1wki h MET 115 CO 0.02 0.50 0.03 1.49 1.06 0.00 0.00 176.91 180.02 1wki h GLU 116 N 0.57 0.16 -0.19 1.72 4.81 -1.48 -1.06 114.58 119.11 1wki h GLU 116 Ca 0.15 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1wki h GLU 116 Cb 0.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1wki h GLU 116 CO -0.02 0.32 0.06 0.00 -0.73 0.00 0.00 179.01 178.63 1wki h ALA 117 N 0.84 0.21 -0.29 2.92 0.00 -1.02 0.30 119.26 122.22 1wki h ALA 117 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wki h ALA 117 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wki h ALA 117 CO -0.00 -0.37 0.18 -0.07 0.00 0.00 0.00 179.25 178.99 1wki h LEU 118 N 0.15 0.33 -0.12 0.00 4.07 -0.83 -1.90 115.31 117.02 1wki h LEU 118 Ca 0.08 -0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.79 1wki h LEU 118 Cb 0.06 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 41.73 1wki h LEU 118 CO -0.09 0.25 -0.90 -0.09 -1.08 0.00 0.00 178.44 176.53 1wki h ARG 119 N 0.39 0.69 -0.53 1.13 9.65 -0.22 -3.12 114.38 122.38 1wki h ARG 119 Ca 0.11 -0.65 0.12 0.00 -1.10 0.00 0.00 59.98 58.45 1wki h ARG 119 Cb -0.03 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1wki h ARG 119 CO -0.02 1.25 0.37 0.82 2.80 0.00 0.00 179.97 185.19 1wki h ILE 120 N 0.43 0.83 -0.11 1.20 2.04 0.37 0.22 117.51 122.50 1wki h ILE 120 Ca -0.09 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 1wki h ILE 120 Cb 1.54 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1wki h ILE 120 CO 0.18 0.04 -0.27 0.00 0.00 0.00 0.00 178.15 178.09 1wki h ALA 121 N 1.73 0.18 0.00 1.87 0.00 -1.44 -3.18 119.26 118.42 1wki h ALA 121 Ca 0.25 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1wki h ALA 121 Cb 0.70 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wki h ALA 121 CO -0.05 0.19 -0.26 0.78 0.00 0.00 0.00 179.25 179.91 1wki h GLY 122 N -0.06 0.00 0.80 0.00 0.00 -1.20 -3.10 103.07 99.52 1wki h GLY 122 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1wki h GLY 122 CO 0.06 0.00 0.54 0.84 0.00 0.00 0.00 176.54 177.98 1wki h HIS 123 N 0.00 1.01 -0.01 5.60 6.17 -0.59 -0.22 115.15 127.12 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.76 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1wki h HIS 123 CO 0.00 0.55 -0.05 0.36 0.71 0.00 0.00 177.93 179.50 1wki n LYS 124 N -4.58 1.13 -2.67 5.26 2.85 -1.17 -4.88 118.16 114.09 1wki n LYS 124 Ca 0.11 -0.44 -0.30 0.00 -1.05 0.00 0.00 58.31 56.63 1wki n LYS 124 Cb 0.13 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.99 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wki s LEU 125 N -2.17 3.73 -0.10 -5.58 1.43 -0.10 -4.97 118.68 110.92 1wki s LEU 125 Ca 0.37 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 1wki s LEU 125 Cb 0.21 -4.14 0.28 0.00 0.03 0.00 0.00 46.19 42.57 1wki s LEU 125 CO 0.40 -0.48 1.05 -0.81 0.23 0.00 0.00 176.35 176.73 1wki n PRO 126 N -1.53 2.15 -3.90 1.29 -0.04 -1.26 -4.87 135.00 126.84 1wki n PRO 126 Ca 0.03 -1.11 -0.09 0.00 -0.04 0.00 0.00 63.50 62.29 1wki n PRO 126 Cb 0.54 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1wki n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1wki s ILE 127 N -1.51 0.03 0.07 0.52 -5.25 -1.26 -4.96 121.20 108.83 1wki s ILE 127 Ca 0.20 -1.19 -0.29 0.00 -0.99 0.00 0.00 60.65 58.37 1wki s ILE 127 Cb 0.15 -1.90 -0.05 0.00 2.95 0.00 0.00 42.46 43.61 1wki s ILE 127 CO 0.05 -0.12 0.92 -0.54 -1.79 0.00 0.00 174.94 173.47 1wki s LYS 128 N -3.96 4.63 0.03 0.37 -0.14 -1.26 -4.88 119.74 114.52 1wki s LYS 128 Ca 0.17 1.36 0.02 0.00 -1.36 0.00 0.00 55.97 56.15 1wki s LYS 128 Cb 0.00 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 1wki s LYS 128 CO 0.03 0.16 -0.06 0.95 -0.76 0.00 0.00 175.35 175.67 1wki s THR 129 N 0.23 0.45 0.17 2.17 -4.23 -1.26 0.10 115.64 113.28 1wki s THR 129 Ca 0.46 -0.77 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 1wki s THR 129 Cb -0.22 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1wki s THR 129 CO 0.28 -0.23 -0.12 -1.59 -0.54 0.00 0.00 174.62 172.42 1wki s LYS 130 N -1.07 1.17 0.10 3.99 -2.85 -0.78 -4.95 119.74 115.36 1wki s LYS 130 Ca -0.06 -1.50 -0.20 0.00 -1.00 0.00 0.00 55.97 53.21 1wki s LYS 130 Cb -0.07 -0.86 -0.07 0.00 -2.06 0.00 0.00 37.83 34.77 1wki s LYS 130 CO 0.00 0.13 0.60 0.42 0.10 0.00 0.00 175.35 176.61 1wki s ILE 131 N -3.10 4.69 -0.11 3.79 -1.09 -1.26 -1.88 121.20 122.24 1wki s ILE 131 Ca 0.19 1.24 -0.12 0.00 -2.23 0.00 0.00 60.65 59.73 1wki s ILE 131 Cb 0.01 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1wki s ILE 131 CO 0.03 0.49 0.33 0.68 -1.23 0.00 0.00 174.94 175.24 1wki s VAL 132 N -1.19 0.01 0.70 2.92 -7.23 -0.52 -4.97 120.40 110.12 1wki s VAL 132 Ca 0.32 -0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 1wki s VAL 132 Cb -0.19 -0.48 0.03 0.00 0.56 0.00 0.00 36.38 36.29 1wki s VAL 132 CO 0.20 -0.03 1.08 -0.60 -0.31 0.00 0.00 175.10 175.44 1wki s ARG 133 N 0.01 2.69 -0.85 4.82 3.52 -1.24 0.12 118.95 128.02 1wki s ARG 133 Ca -0.02 0.30 -0.12 0.00 -0.13 0.00 0.00 55.73 55.76 1wki s ARG 133 Cb -0.03 -2.06 -0.26 0.00 -1.56 0.00 0.00 34.95 31.05 1wki s ARG 133 CO 0.01 -1.08 2.09 0.54 -0.81 0.00 0.00 175.30 176.04 1wki n ARG 134 N -2.99 0.13 -3.02 5.12 1.74 0.33 0.98 116.66 118.94 1wki n ARG 134 Ca 0.07 -0.25 -0.12 0.00 -0.77 0.00 0.00 57.85 56.78 1wki n ARG 134 Cb 0.58 -1.70 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wki n ASP 135 N 8.82 -4.07 -4.07 0.55 2.03 -1.26 -5.01 116.55 113.54 1wki n ASP 135 Ca 0.55 -0.26 -0.35 0.00 0.52 0.00 0.00 54.79 55.25 1wki n ASP 135 Cb 0.25 -2.70 -0.12 0.00 -0.72 0.00 0.00 41.12 37.84 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wki s ALA 136 N -3.16 3.31 -0.43 -1.67 0.00 0.27 -5.03 121.76 115.07 1wki s ALA 136 Ca 0.28 -2.93 0.02 0.00 0.00 0.00 0.00 51.96 49.33 1wki s ALA 136 Cb -0.12 -2.42 0.12 0.00 0.00 0.00 0.00 23.12 20.70 1wki s ALA 136 CO 0.35 -1.94 0.20 0.71 0.00 0.00 0.00 175.76 175.08 1wki s TYR 137 N 0.43 2.46 -0.11 0.00 1.51 -1.26 -3.67 117.35 116.71 1wki s TYR 137 Ca 0.13 -2.58 0.01 0.00 -1.01 0.00 0.00 57.07 53.63 1wki s TYR 137 Cb -0.22 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1wki s TYR 137 CO -0.04 -0.81 -0.17 0.34 -1.11 0.00 0.00 175.55 173.77 1wki s ASP 138 N 0.47 3.73 -0.51 2.29 -1.08 -1.26 -5.04 116.67 115.26 1wki s ASP 138 Ca 0.15 -0.39 -0.27 0.00 -0.52 0.00 0.00 52.55 51.52 1wki s ASP 138 Cb -0.23 -1.47 -0.01 0.00 -1.46 0.00 0.00 42.92 39.75 1wki s ASP 138 CO -0.05 0.18 1.71 -1.61 0.52 0.00 0.00 175.17 175.93 1wki s GLU 139 N 0.25 3.03 -0.47 4.34 2.02 -1.26 -4.94 118.70 121.67 1wki s GLU 139 Ca -0.11 0.81 0.01 0.00 0.02 0.00 0.00 54.97 55.70 1wki s GLU 139 Cb -0.16 -4.25 0.12 0.00 0.10 0.00 0.00 34.13 29.94 1wki s GLU 139 CO 0.06 -2.24 0.22 0.00 0.02 0.00 0.00 175.26 173.32 1wki s ALA 140 N 7.57 3.22 0.00 5.21 0.00 -1.26 -5.26 121.76 131.23 1wki s ALA 140 Ca 0.67 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.71 1wki s ALA 140 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1wki s ALA 140 CO 0.26 -1.90 0.00 0.94 0.00 0.00 0.00 175.76 175.06