#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki n LEU 2 N 0.00 6.87 -4.13 4.03 7.94 -1.26 -4.91 117.00 125.54 1wki n LEU 2 Ca 0.00 -5.01 -0.37 0.00 -1.11 0.00 0.00 56.01 49.51 1wki n LEU 2 Cb 0.00 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 1wki n LEU 2 CO 0.00 1.91 -0.03 -0.04 -1.11 0.00 0.00 177.39 178.12 1wki s MET 3 N -3.99 2.39 0.36 1.96 -1.94 -1.26 -5.09 119.30 111.73 1wki s MET 3 Ca 0.49 -2.17 -0.05 0.00 -1.71 0.00 0.00 55.69 52.25 1wki s MET 3 Cb 0.39 -3.73 0.08 0.00 2.01 0.00 0.00 34.83 33.59 1wki s MET 3 CO -0.33 -1.14 0.18 -2.30 -0.01 0.00 0.00 175.02 171.42 1wki n PRO 4 N 4.09 -1.28 -2.76 2.03 -0.02 -1.26 -4.82 135.00 130.98 1wki n PRO 4 Ca 0.02 -0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 60.77 1wki n PRO 4 Cb 0.40 -0.50 -0.03 0.00 -0.02 0.00 0.00 33.50 33.35 1wki n PRO 4 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wki s ARG 5 N -2.64 3.51 -0.41 -0.52 3.00 -1.26 -4.84 118.95 115.78 1wki s ARG 5 Ca 0.14 -1.32 0.07 0.00 0.00 0.00 0.00 55.73 54.62 1wki s ARG 5 Cb -0.02 -4.95 0.23 0.00 0.00 0.00 0.00 34.95 30.21 1wki s ARG 5 CO 0.12 -1.96 0.55 0.54 0.00 0.00 0.00 175.30 174.55 1wki n ARG 6 N 7.72 0.63 -2.97 3.54 5.12 -1.26 -5.09 116.66 124.35 1wki n ARG 6 Ca 0.23 -2.94 -0.43 0.00 -1.93 0.00 0.00 57.85 52.77 1wki n ARG 6 Cb 0.49 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 30.41 1wki n ARG 6 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wki s MET 7 N -0.61 3.17 -0.08 5.56 0.23 -1.26 -4.80 119.30 121.51 1wki s MET 7 Ca 0.34 -0.74 0.04 0.00 -1.03 0.00 0.00 55.69 54.30 1wki s MET 7 Cb 0.15 -4.14 -0.08 0.00 -1.53 0.00 0.00 34.83 29.23 1wki s MET 7 CO -0.14 -1.50 -0.02 0.36 -2.03 0.00 0.00 175.02 171.68 1wki n LYS 8 N 7.00 1.67 -3.68 3.16 0.00 -1.26 -5.01 118.16 120.04 1wki n LYS 8 Ca -0.04 0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 58.15 1wki n LYS 8 Cb 0.46 -1.19 -0.14 0.00 -0.00 0.00 0.00 35.03 34.16 1wki n LYS 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1wki s TYR 9 N -2.18 -0.32 -0.34 5.58 6.14 -1.26 -5.13 117.35 119.84 1wki s TYR 9 Ca -0.08 0.80 -0.23 0.00 0.64 0.00 0.00 57.07 58.21 1wki s TYR 9 Cb 0.03 -0.09 0.01 0.00 0.42 0.00 0.00 41.96 42.32 1wki s TYR 9 CO 0.26 -0.30 0.77 1.03 0.64 0.00 0.00 175.55 177.96 1wki s ARG 10 N 2.08 3.82 -0.30 4.97 0.52 -1.26 -4.99 118.95 123.79 1wki s ARG 10 Ca -0.01 0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 1wki s ARG 10 Cb -0.12 -3.78 0.18 0.00 0.52 0.00 0.00 34.95 31.76 1wki s ARG 10 CO -0.08 -0.78 0.69 0.21 0.02 0.00 0.00 175.30 175.36 1wki s LYS 11 N 3.01 0.50 0.15 3.54 2.36 -1.26 -5.16 119.74 122.88 1wki s LYS 11 Ca 0.31 0.90 -0.09 0.00 -2.55 0.00 0.00 55.97 54.54 1wki s LYS 11 Cb -0.14 0.50 -0.06 0.00 -1.05 0.00 0.00 37.83 37.09 1wki s LYS 11 CO 0.15 -0.52 0.46 -1.14 1.55 0.00 0.00 175.35 175.86 1wki s GLN 12 N 2.87 3.78 -0.08 4.03 -0.44 -1.26 -5.09 119.66 123.47 1wki s GLN 12 Ca 0.15 0.20 -0.02 0.00 -2.50 0.00 0.00 55.36 53.20 1wki s GLN 12 Cb -0.14 -2.85 -0.03 0.00 -1.64 0.00 0.00 33.01 28.35 1wki s GLN 12 CO -0.19 0.46 0.01 -1.14 0.50 0.00 0.00 175.29 174.93 1wki s GLN 13 N -2.34 2.99 0.04 1.67 0.74 -1.26 -4.84 119.66 116.66 1wki s GLN 13 Ca 0.40 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.39 1wki s GLN 13 Cb -0.13 -2.80 0.00 0.00 1.10 0.00 0.00 33.01 31.18 1wki s GLN 13 CO 0.21 0.70 0.00 0.54 -0.55 0.00 0.00 175.29 176.18 1wki n ARG 14 N 2.02 0.00 0.00 1.67 1.74 -1.26 -4.83 116.66 116.01 1wki n ARG 14 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1wki n ARG 14 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 15 N 0.00 0.96 2.90 -0.13 0.00 -1.26 -5.11 105.19 102.55 1wki n GLY 15 Ca 0.00 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 1wki n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wki s ARG 16 N -1.02 0.24 -0.14 1.61 1.70 -1.26 -5.15 118.95 114.93 1wki s ARG 16 Ca 0.00 -0.07 -0.17 0.00 -0.47 0.00 0.00 55.73 55.03 1wki s ARG 16 Cb 0.00 -0.27 0.04 0.00 -0.57 0.00 0.00 34.95 34.16 1wki s ARG 16 CO 0.00 0.02 0.45 -1.17 -1.08 0.00 0.00 175.30 173.52 1wki s LEU 17 N 0.13 0.30 0.23 -1.89 1.98 -1.26 -5.04 118.68 113.13 1wki s LEU 17 Ca -0.01 0.76 0.12 0.00 -2.89 0.00 0.00 54.13 52.11 1wki s LEU 17 Cb -0.03 1.58 0.04 0.00 0.66 0.00 0.00 46.19 48.44 1wki s LEU 17 CO -0.00 -0.24 1.42 0.11 -1.89 0.00 0.00 176.35 175.75 1wki h LYS 18 N 4.99 0.00 -1.47 1.98 1.57 -2.09 -3.50 116.57 118.05 1wki h LYS 18 Ca -0.28 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1wki h LYS 18 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 1wki h LYS 18 CO 0.26 0.70 -0.45 0.41 -0.57 0.00 0.00 179.45 179.80 1wki n GLY 19 N 1.10 -2.51 3.69 3.86 0.00 -1.26 -4.79 105.19 105.28 1wki n GLY 19 Ca 0.01 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.92 3.66 0.00 4.61 0.00 -1.26 -4.84 121.76 121.02 1wki s ALA 20 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1wki s ALA 20 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1wki s ALA 20 CO 0.00 -0.98 0.00 0.25 0.00 0.00 0.00 175.76 175.03 1wki n THR 21 N 4.55 0.00 -3.68 0.00 -2.24 -1.26 -5.07 114.28 106.58 1wki n THR 21 Ca 0.15 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.74 1wki n THR 21 Cb 0.41 -0.58 -0.17 0.00 -2.10 0.00 0.00 70.33 67.89 1wki n THR 21 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1wki s LYS 22 N -1.72 -0.05 -0.06 -0.78 0.00 -1.26 -5.14 119.74 110.72 1wki s LYS 22 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 55.97 56.41 1wki s LYS 22 Cb 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 37.83 37.39 1wki s LYS 22 CO 0.00 -0.31 -0.20 0.20 0.00 0.00 0.00 175.35 175.04 1wki s GLY 23 N 2.06 1.10 0.00 0.59 0.00 -1.26 -5.10 107.32 104.72 1wki s GLY 23 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1wki s GLY 23 CO -0.04 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.32 1wki n GLY 24 N 3.28 0.60 3.62 0.20 0.00 -1.26 -5.04 105.19 106.59 1wki n GLY 24 Ca -0.19 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1wki n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wki s ASP 25 N 0.00 6.72 -0.73 1.61 2.15 -1.16 -5.00 116.67 120.26 1wki s ASP 25 Ca 0.00 0.72 -0.15 0.00 0.43 0.00 0.00 52.55 53.55 1wki s ASP 25 Cb 0.00 -2.45 0.19 0.00 -0.30 0.00 0.00 42.92 40.36 1wki s ASP 25 CO 0.00 -0.72 0.68 -0.47 -0.17 0.00 0.00 175.17 174.49 1wki s TYR 26 N 3.20 3.60 0.00 -5.34 6.14 -1.26 -4.01 117.35 119.68 1wki s TYR 26 Ca 0.36 -1.77 0.00 0.00 0.64 0.00 0.00 57.07 56.30 1wki s TYR 26 Cb -0.13 -3.81 0.00 0.00 0.42 0.00 0.00 41.96 38.44 1wki s TYR 26 CO 0.14 -1.00 0.00 0.28 0.64 0.00 0.00 175.55 175.61 1wki n VAL 27 N 4.38 0.00 0.00 3.14 0.31 -1.26 -4.75 118.33 120.14 1wki n VAL 27 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1wki n VAL 27 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 3.33 0.00 -2.73 3.52 0.00 -1.26 -4.87 120.51 118.50 1wki n ALA 28 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1wki n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 3.48 0.59 0.00 0.08 -1.26 -4.97 117.98 115.90 1wki s PHE 29 Ca 0.00 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.43 1wki s PHE 29 Cb 0.00 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.56 1wki s PHE 29 CO 0.00 0.34 0.00 0.41 -0.10 0.00 0.00 175.22 175.87 1wki n GLY 30 N -0.75 -3.69 0.27 4.36 0.00 -1.26 -4.51 105.19 99.61 1wki n GLY 30 Ca -0.04 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.36 0.30 -1.46 1.61 3.32 -0.99 -3.42 116.42 115.42 1wki h ASP 31 Ca -0.06 -0.03 -0.59 0.00 0.02 0.00 0.00 57.03 56.37 1wki h ASP 31 Cb 1.08 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 1wki h ASP 31 CO 0.02 0.32 -0.51 -0.31 -1.72 0.00 0.00 179.24 177.05 1wki s TYR 32 N -5.10 2.48 -0.23 4.55 2.02 -0.36 -0.10 117.35 120.62 1wki s TYR 32 Ca -0.07 -0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 55.87 1wki s TYR 32 Cb 0.16 -1.90 0.07 0.00 -0.40 0.00 0.00 41.96 39.89 1wki s TYR 32 CO 0.72 0.20 0.55 0.20 -1.57 0.00 0.00 175.55 175.65 1wki s GLY 33 N -3.89 -0.48 -0.59 0.71 0.00 0.12 -3.05 107.32 100.13 1wki s GLY 33 Ca 0.37 1.97 -0.21 0.00 0.00 0.00 0.00 44.72 46.85 1wki s GLY 33 CO 0.20 2.09 0.80 -2.27 0.00 0.00 0.00 173.10 173.93 1wki s LEU 34 N 1.61 4.81 0.06 0.66 1.98 0.28 -1.56 118.68 126.52 1wki s LEU 34 Ca -0.09 -1.04 -0.13 0.00 -2.89 0.00 0.00 54.13 49.97 1wki s LEU 34 Cb -0.07 -2.44 -0.06 0.00 0.66 0.00 0.00 46.19 44.28 1wki s LEU 34 CO -0.16 -1.19 0.44 0.54 -1.89 0.00 0.00 176.35 174.09 1wki s VAL 35 N 3.29 5.00 -0.45 1.68 0.11 -0.95 -0.04 120.40 129.04 1wki s VAL 35 Ca 0.18 0.73 -0.19 0.00 -2.93 0.00 0.00 61.98 59.76 1wki s VAL 35 Cb -0.19 -3.70 0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1wki s VAL 35 CO 0.10 0.42 0.59 0.00 -3.33 0.00 0.00 175.10 172.88 1wki s ALA 36 N -1.26 3.37 -1.91 1.54 0.00 0.12 -2.07 121.76 121.55 1wki s ALA 36 Ca 0.30 -1.43 0.25 0.00 0.00 0.00 0.00 51.96 51.08 1wki s ALA 36 Cb -0.16 -3.25 1.45 0.00 0.00 0.00 0.00 23.12 21.16 1wki s ALA 36 CO 0.16 -1.80 1.84 1.28 0.00 0.00 0.00 175.76 177.25 1wki n LEU 37 N 6.08 0.00 -3.95 0.00 4.77 0.77 0.11 117.00 124.79 1wki n LEU 37 Ca -0.04 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 1wki n LEU 37 Cb 0.47 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1wki n LEU 37 CO 0.52 -0.01 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.68 1wki s GLU 38 N -2.09 0.43 -0.04 3.23 2.02 -1.24 -4.45 118.70 116.57 1wki s GLU 38 Ca 0.35 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.43 1wki s GLU 38 Cb 0.17 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.53 1wki s GLU 38 CO 0.30 -0.09 1.13 -1.25 0.02 0.00 0.00 175.26 175.37 1wki s PRO 39 N -1.77 4.41 0.30 0.39 0.04 -1.26 -4.18 135.00 132.92 1wki s PRO 39 Ca -0.12 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 1wki s PRO 39 Cb -0.07 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 31.00 1wki s PRO 39 CO -0.01 -0.33 0.70 0.00 0.04 0.00 0.00 177.00 177.40 1wki s ALA 40 N 1.78 -0.95 -0.21 8.56 0.00 -1.08 -4.96 121.76 124.90 1wki s ALA 40 Ca 0.54 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 1wki s ALA 40 Cb -0.24 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1wki s ALA 40 CO 0.23 -1.00 0.06 -1.58 0.00 0.00 0.00 175.76 173.47 1wki s TRP 41 N -3.59 3.16 -0.29 0.00 0.51 -1.26 -1.27 118.94 116.20 1wki s TRP 41 Ca 0.14 -0.15 -0.08 0.00 -2.12 0.00 0.00 56.10 53.89 1wki s TRP 41 Cb -0.05 -2.13 -0.01 0.00 -0.81 0.00 0.00 33.47 30.47 1wki s TRP 41 CO 0.08 -0.07 0.11 0.42 -0.51 0.00 0.00 176.95 176.99 1wki s ILE 42 N 0.86 4.34 0.83 2.03 -1.09 -0.99 -4.81 121.20 122.37 1wki s ILE 42 Ca 0.03 -0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 57.92 1wki s ILE 42 Cb -0.14 -3.16 0.09 0.00 -1.58 0.00 0.00 42.46 37.67 1wki s ILE 42 CO 0.02 0.15 1.17 0.42 -1.23 0.00 0.00 174.94 175.47 1wki s THR 43 N 1.58 2.09 0.23 2.92 -4.23 -1.26 0.81 115.64 117.79 1wki s THR 43 Ca 0.05 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.52 1wki s THR 43 Cb -0.16 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1wki s THR 43 CO 0.04 -0.04 1.83 0.00 -0.54 0.00 0.00 174.62 175.92 1wki h ALA 44 N -1.13 1.09 -0.65 3.99 0.00 -1.97 -2.28 119.26 118.31 1wki h ALA 44 Ca -0.47 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.54 1wki h ALA 44 Cb 1.33 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1wki h ALA 44 CO 0.65 0.19 0.27 1.96 0.00 0.00 0.00 179.25 182.33 1wki h GLN 45 N 0.87 0.46 -0.54 0.00 1.08 -1.94 -0.94 115.11 114.09 1wki h GLN 45 Ca 0.35 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.56 1wki h GLN 45 Cb 0.19 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1wki h GLN 45 CO -0.18 0.30 0.36 1.96 -0.95 0.00 0.00 178.83 180.32 1wki h GLN 46 N 0.47 0.61 0.05 1.46 1.08 -1.78 2.24 115.11 119.24 1wki h GLN 46 Ca 0.33 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1wki h GLN 46 Cb 0.39 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1wki h GLN 46 CO -0.30 0.40 -0.02 0.82 -0.95 0.00 0.00 178.83 178.78 1wki h ILE 47 N 0.63 1.27 0.09 2.54 2.04 -1.14 -2.51 117.51 120.42 1wki h ILE 47 Ca 0.22 -1.14 -0.18 0.00 1.00 0.00 0.00 64.86 64.75 1wki h ILE 47 Cb 0.09 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1wki h ILE 47 CO -0.06 0.28 -0.88 -0.08 0.00 0.00 0.00 178.15 177.42 1wki h GLU 48 N -0.58 0.18 -0.21 2.37 4.81 -1.11 -3.02 114.58 117.02 1wki h GLU 48 Ca -0.01 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1wki h GLU 48 Cb 0.52 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1wki h GLU 48 CO 0.01 1.15 -0.03 0.00 -0.73 0.00 0.00 179.01 179.41 1wki h ALA 49 N -0.04 0.16 -0.71 2.92 0.00 0.36 -0.29 119.26 121.65 1wki h ALA 49 Ca -0.19 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1wki h ALA 49 Cb 1.50 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1wki h ALA 49 CO 0.05 -0.46 0.22 0.00 0.00 0.00 0.00 179.25 179.06 1wki h ALA 50 N 1.20 0.93 -0.63 0.00 0.00 -1.47 -2.80 119.26 116.48 1wki h ALA 50 Ca 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wki h ALA 50 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1wki h ALA 50 CO -0.19 0.61 0.41 0.00 0.00 0.00 0.00 179.25 180.07 1wki h ARG 51 N 1.04 0.80 -0.72 0.00 3.08 -1.29 -0.75 114.38 116.54 1wki h ARG 51 Ca 0.23 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1wki h ARG 51 Cb 0.30 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1wki h ARG 51 CO -0.01 0.53 0.44 0.28 -1.07 0.00 0.00 179.97 180.14 1wki h VAL 52 N 0.82 1.06 -0.38 2.04 2.07 -0.83 0.34 116.25 121.38 1wki h VAL 52 Ca 0.24 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1wki h VAL 52 Cb -0.05 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1wki h VAL 52 CO -0.07 0.15 -0.25 0.00 0.02 0.00 0.00 177.57 177.42 1wki h ALA 53 N 1.32 0.86 -0.09 1.67 0.00 -1.19 -2.67 119.26 119.16 1wki h ALA 53 Ca 0.30 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1wki h ALA 53 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wki h ALA 53 CO -0.13 0.63 -0.16 0.52 0.00 0.00 0.00 179.25 180.11 1wki h MET 54 N 0.66 0.27 -0.73 0.00 2.07 -0.48 -2.46 114.93 114.26 1wki h MET 54 Ca 0.09 -0.17 0.08 0.00 -2.07 0.00 0.00 59.70 57.63 1wki h MET 54 Cb 0.76 0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 30.46 1wki h MET 54 CO 0.06 0.75 0.48 0.28 1.07 0.00 0.00 176.91 179.55 1wki h VAL 55 N -0.18 0.97 0.00 -2.22 2.07 -0.34 -0.65 116.25 115.90 1wki h VAL 55 Ca 0.01 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1wki h VAL 55 Cb 0.73 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1wki h VAL 55 CO 0.04 0.12 -0.72 0.03 0.02 0.00 0.00 177.57 177.06 1wki h ARG 56 N 0.68 0.00 0.22 1.57 3.08 -1.46 -3.30 114.38 115.18 1wki h ARG 56 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1wki h ARG 56 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1wki h ARG 56 CO -0.11 0.72 -0.11 1.25 -1.07 0.00 0.00 179.97 180.65 1wki h HIS 57 N 0.00 -0.28 -1.88 3.04 2.76 -0.62 -3.42 115.15 114.74 1wki h HIS 57 Ca -0.01 -0.01 -0.65 0.00 -2.20 0.00 0.00 60.37 57.50 1wki h HIS 57 Cb 1.31 0.09 0.02 0.00 1.55 0.00 0.00 27.41 30.38 1wki h HIS 57 CO 0.00 -0.09 1.03 1.19 -1.30 0.00 0.00 177.93 178.76 1wki n PHE 58 N -5.17 2.24 -0.01 5.26 3.72 -1.05 -4.87 117.46 117.58 1wki n PHE 58 Ca -0.09 0.17 -0.12 0.00 -0.05 0.00 0.00 57.45 57.36 1wki n PHE 58 Cb 0.18 -2.60 -0.06 0.00 -0.94 0.00 0.00 39.48 36.06 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 8.49 0.12 -1.04 -1.08 3.08 -1.89 -2.81 114.38 119.24 1wki h ARG 59 Ca -0.48 -0.02 -0.49 0.00 0.07 0.00 0.00 59.98 59.07 1wki h ARG 59 Cb 1.29 -0.02 -0.26 0.00 0.08 0.00 0.00 29.97 31.05 1wki h ARG 59 CO 0.95 0.20 0.62 0.54 -1.07 0.00 0.00 179.97 181.21 1wki n ARG 60 N -4.96 2.19 -1.30 0.04 1.74 -1.26 -5.03 116.66 108.07 1wki n ARG 60 Ca -0.06 -2.66 0.16 0.00 -0.77 0.00 0.00 57.85 54.53 1wki n ARG 60 Cb 0.09 -2.04 -0.08 0.00 -1.02 0.00 0.00 32.46 29.41 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 -0.82 -3.09 3.74 -0.13 0.00 -1.06 -5.05 105.19 98.78 1wki n GLY 61 Ca 0.52 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -6.98 -0.25 -0.06 -0.02 0.00 -1.26 -4.75 107.32 94.01 1wki s GLY 62 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 44.72 44.94 1wki s GLY 62 CO 0.00 0.02 -0.20 -1.59 0.00 0.00 0.00 173.10 171.33 1wki s LYS 63 N -3.25 2.20 -0.21 2.90 -2.85 -1.26 -4.89 119.74 112.39 1wki s LYS 63 Ca 0.12 -0.72 -0.01 0.00 -1.00 0.00 0.00 55.97 54.36 1wki s LYS 63 Cb -0.01 -1.84 0.02 0.00 -2.06 0.00 0.00 37.83 33.94 1wki s LYS 63 CO 0.02 0.25 -0.13 0.42 0.10 0.00 0.00 175.35 176.01 1wki s ILE 64 N 0.09 2.55 -0.46 3.79 1.01 -1.26 -3.12 121.20 123.80 1wki s ILE 64 Ca -0.07 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 1wki s ILE 64 Cb -0.14 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.19 1wki s ILE 64 CO 0.04 0.41 0.77 -0.36 0.00 0.00 0.00 174.94 175.79 1wki s PHE 65 N 1.33 2.99 -0.24 3.97 0.40 0.28 -4.88 117.98 121.83 1wki s PHE 65 Ca 0.03 0.07 -0.19 0.00 -0.60 0.00 0.00 56.93 56.24 1wki s PHE 65 Cb -0.14 -3.65 -0.03 0.00 0.51 0.00 0.00 43.02 39.71 1wki s PHE 65 CO -0.08 -1.01 0.57 0.42 0.70 0.00 0.00 175.22 175.82 1wki s ILE 66 N 3.25 5.04 -0.10 0.64 -1.09 -1.26 -2.54 121.20 125.13 1wki s ILE 66 Ca 0.28 1.02 0.15 0.00 -2.23 0.00 0.00 60.65 59.87 1wki s ILE 66 Cb -0.13 -3.88 -0.23 0.00 -1.58 0.00 0.00 42.46 36.64 1wki s ILE 66 CO 0.21 0.09 0.46 -1.14 -1.23 0.00 0.00 174.94 173.33 1wki n ARG 67 N 5.35 0.65 -2.20 2.79 3.00 -1.21 -4.94 116.66 120.11 1wki n ARG 67 Ca -0.03 0.18 -0.34 0.00 -0.00 0.00 0.00 57.85 57.66 1wki n ARG 67 Cb 0.50 -1.69 0.01 0.00 0.00 0.00 0.00 32.46 31.27 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 -2.59 3.31 -0.13 5.15 -4.36 -1.26 -5.06 121.20 116.27 1wki s ILE 68 Ca -0.07 0.76 -0.17 0.00 -0.26 0.00 0.00 60.65 60.92 1wki s ILE 68 Cb 0.07 -3.28 0.04 0.00 1.25 0.00 0.00 42.46 40.54 1wki s ILE 68 CO 0.83 -0.23 0.44 0.12 0.24 0.00 0.00 174.94 176.34 1wki s PHE 69 N -1.95 -0.44 -0.56 1.37 5.36 -1.26 -5.08 117.98 115.42 1wki s PHE 69 Ca 0.70 1.00 -0.28 0.00 -0.96 0.00 0.00 56.93 57.40 1wki s PHE 69 Cb -0.22 0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1wki s PHE 69 CO 0.29 -0.30 1.47 -1.25 -1.46 0.00 0.00 175.22 173.97 1wki s PRO 70 N -0.22 3.24 0.00 10.12 0.04 -1.26 -4.10 135.00 142.82 1wki s PRO 70 Ca -0.04 0.50 0.19 0.00 0.04 0.00 0.00 61.00 61.69 1wki s PRO 70 Cb -0.03 -4.15 0.32 0.00 0.04 0.00 0.00 34.50 30.68 1wki s PRO 70 CO 0.02 -2.01 1.12 -3.47 0.04 0.00 0.00 177.00 172.70 1wki n ASP 71 N 9.89 0.60 -3.91 6.66 2.03 -0.67 -4.75 116.55 126.39 1wki n ASP 71 Ca 0.13 -1.98 -0.16 0.00 0.52 0.00 0.00 54.79 53.30 1wki n ASP 71 Cb 0.49 -0.20 -0.15 0.00 -0.72 0.00 0.00 41.12 40.55 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1wki s LYS 72 N 0.00 0.42 0.27 -0.67 2.47 -0.83 -4.97 119.74 116.42 1wki s LYS 72 Ca 0.25 -0.10 -0.30 0.00 -1.56 0.00 0.00 55.97 54.27 1wki s LYS 72 Cb 0.29 -0.45 -0.10 0.00 -1.46 0.00 0.00 37.83 36.11 1wki s LYS 72 CO -0.13 0.02 1.32 -1.25 0.16 0.00 0.00 175.35 175.47 1wki s PRO 73 N 0.31 4.37 -0.68 4.03 0.04 -1.26 -1.46 135.00 140.34 1wki s PRO 73 Ca -0.03 2.16 -0.07 0.00 0.04 0.00 0.00 61.00 63.09 1wki s PRO 73 Cb -0.06 -3.13 0.18 0.00 0.04 0.00 0.00 34.50 31.53 1wki s PRO 73 CO -0.00 -0.23 0.55 -0.47 0.04 0.00 0.00 177.00 176.88 1wki s TYR 74 N -0.48 3.53 -0.13 0.56 6.14 -0.61 -4.87 117.35 121.50 1wki s TYR 74 Ca 0.53 -2.40 0.03 0.00 0.64 0.00 0.00 57.07 55.87 1wki s TYR 74 Cb -0.39 -3.44 0.00 0.00 0.42 0.00 0.00 41.96 38.56 1wki s TYR 74 CO 0.45 -0.90 -0.22 0.95 0.64 0.00 0.00 175.55 176.47 1wki s THR 75 N 0.12 2.18 -0.43 4.34 -4.23 -1.26 -0.12 115.64 116.25 1wki s THR 75 Ca 0.16 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1wki s THR 75 Cb -0.17 -1.86 0.60 0.00 1.34 0.00 0.00 72.50 72.41 1wki s THR 75 CO -0.05 0.55 1.79 0.29 -0.54 0.00 0.00 174.62 176.66 1wki n LYS 76 N 3.82 2.21 -3.97 3.99 4.76 -1.26 -4.98 118.16 122.73 1wki n LYS 76 Ca -0.19 -3.12 -0.25 0.00 -2.87 0.00 0.00 58.31 51.88 1wki n LYS 76 Cb 0.52 -2.09 -0.03 0.00 -1.84 0.00 0.00 35.03 31.59 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wki s LYS 77 N -3.35 3.38 0.92 1.97 3.01 -1.26 -5.10 119.74 119.30 1wki s LYS 77 Ca 0.54 -0.68 -0.11 0.00 -1.01 0.00 0.00 55.97 54.71 1wki s LYS 77 Cb 0.46 -2.90 0.14 0.00 -1.01 0.00 0.00 37.83 34.52 1wki s LYS 77 CO 0.07 0.49 1.09 -1.25 0.51 0.00 0.00 175.35 176.26 1wki s PRO 78 N -3.44 1.09 -0.47 -1.68 0.04 -1.26 -4.97 135.00 124.30 1wki s PRO 78 Ca 0.34 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.06 1wki s PRO 78 Cb -0.10 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1wki s PRO 78 CO 0.28 -2.39 0.89 -1.17 0.04 0.00 0.00 177.00 174.65 1wki s LEU 79 N -6.34 4.09 0.03 -3.56 0.20 -1.26 -5.03 118.68 106.81 1wki s LEU 79 Ca 0.64 -0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.48 1wki s LEU 79 Cb -0.19 -3.08 -0.04 0.00 -0.43 0.00 0.00 46.19 42.45 1wki s LEU 79 CO 0.58 -1.04 -0.05 -1.61 -0.29 0.00 0.00 176.35 173.94 1wki s GLU 80 N 3.66 2.53 -0.18 1.98 2.02 -1.26 -5.11 118.70 122.33 1wki s GLU 80 Ca 0.34 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 1wki s GLU 80 Cb -0.11 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 1wki s GLU 80 CO 0.24 0.58 0.05 0.08 0.02 0.00 0.00 175.26 176.23 1wki s VAL 81 N -1.10 4.69 0.35 2.63 1.01 -1.26 -5.00 120.40 121.72 1wki s VAL 81 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1wki s VAL 81 Cb -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1wki s VAL 81 CO 0.11 0.47 0.00 0.54 0.00 0.00 0.00 175.10 176.21 1wki n ARG 82 N 3.50 -2.90 -2.83 2.72 1.74 -1.26 -4.98 116.66 112.65 1wki n ARG 82 Ca -0.17 1.95 -0.08 0.00 -0.77 0.00 0.00 57.85 58.79 1wki n ARG 82 Cb 0.52 -3.53 0.01 0.00 -1.02 0.00 0.00 32.46 28.44 1wki n ARG 82 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1wki n MET 83 N -4.21 -2.41 -2.67 5.56 2.81 -1.26 -4.99 117.12 109.95 1wki n MET 83 Ca 0.00 2.14 -0.21 0.00 -1.81 0.00 0.00 57.70 57.82 1wki n MET 83 Cb 0.65 -5.62 -0.00 0.00 -0.71 0.00 0.00 33.22 27.54 1wki n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wki n GLY 84 N -0.26 4.43 1.56 3.03 0.00 -1.26 -4.82 105.19 107.88 1wki n GLY 84 Ca 0.11 -2.25 0.06 0.00 0.00 0.00 0.00 46.02 43.95 1wki n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 85 N -0.25 3.92 0.00 1.61 4.01 -1.26 -4.76 118.16 121.43 1wki n LYS 85 Ca 0.28 -2.54 0.00 0.00 -0.51 0.00 0.00 58.31 55.54 1wki n LYS 85 Cb 0.67 -2.02 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wki n GLY 86 N 0.69 1.47 1.72 0.72 0.00 -1.26 -5.09 105.19 103.44 1wki n GLY 86 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1wki n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 87 N 0.00 0.00 0.00 1.61 4.81 -1.26 -5.07 118.16 118.24 1wki n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wki n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wki n GLY 88 N -1.41 3.58 3.13 3.14 0.00 -1.26 -5.00 105.19 107.37 1wki n GLY 88 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -5.77 -4.90 1.61 2.85 -1.26 -4.94 115.26 102.85 1wki n ASN 89 Ca 0.00 0.19 -0.29 0.00 -0.11 0.00 0.00 54.58 54.37 1wki n ASN 89 Cb 0.00 -1.47 -0.03 0.00 1.24 0.00 0.00 39.78 39.52 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 -1.08 5.02 -0.56 3.44 0.11 -1.26 -4.96 120.40 121.11 1wki s VAL 90 Ca 0.13 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.23 1wki s VAL 90 Cb -0.01 -3.73 0.31 0.00 -1.53 0.00 0.00 36.38 31.41 1wki s VAL 90 CO 0.28 -0.32 2.14 -0.62 -3.33 0.00 0.00 175.10 173.25 1wki n GLU 91 N -0.93 2.40 0.00 1.54 -0.58 0.83 -5.00 120.64 118.90 1wki n GLU 91 Ca -0.02 -2.68 0.00 0.00 -0.42 0.00 0.00 57.16 54.04 1wki n GLU 91 Cb 0.54 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 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 -0.22 -2.88 3.82 0.62 0.00 -1.26 -4.77 105.19 100.50 1wki n GLY 92 Ca 0.50 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.95 2.89 0.30 1.61 1.51 -1.26 -1.58 117.35 119.88 1wki s TYR 93 Ca 0.00 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.68 1wki s TYR 93 Cb 0.00 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1wki s TYR 93 CO 0.00 0.28 0.52 0.14 -1.11 0.00 0.00 175.55 175.38 1wki s VAL 94 N -2.30 0.00 -0.33 0.71 -7.23 -0.53 -4.18 120.40 106.54 1wki s VAL 94 Ca 0.39 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1wki s VAL 94 Cb -0.06 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.50 1wki s VAL 94 CO 0.25 0.00 0.04 0.00 -0.31 0.00 0.00 175.10 175.08 1wki s ALA 95 N -3.40 2.86 0.19 1.32 0.00 0.24 -1.67 121.76 121.30 1wki s ALA 95 Ca 0.25 -2.36 -0.32 0.00 0.00 0.00 0.00 51.96 49.53 1wki s ALA 95 Cb -0.01 -1.95 -0.12 0.00 0.00 0.00 0.00 23.12 21.04 1wki s ALA 95 CO 0.14 -1.59 1.74 0.28 0.00 0.00 0.00 175.76 176.32 1wki n VAL 96 N 4.34 0.06 -4.34 0.00 0.31 -1.26 -2.33 118.33 115.10 1wki n VAL 96 Ca -0.01 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.12 1wki n VAL 96 Cb 0.42 -1.99 -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 1.39 1.73 0.16 2.52 1.01 -0.40 -4.99 120.40 121.83 1wki s VAL 97 Ca 0.76 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.61 1wki s VAL 97 Cb -0.51 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1wki s VAL 97 CO 0.33 -0.58 -0.11 -0.54 0.00 0.00 0.00 175.10 174.21 1wki s LYS 98 N -3.58 1.11 -0.27 2.72 1.02 -1.26 -2.64 119.74 116.84 1wki s LYS 98 Ca 0.22 -1.48 -0.33 0.00 0.02 0.00 0.00 55.97 54.40 1wki s LYS 98 Cb -0.01 -0.72 -0.09 0.00 -0.52 0.00 0.00 37.83 36.49 1wki s LYS 98 CO 0.07 0.09 2.17 -0.35 -0.92 0.00 0.00 175.35 176.41 1wki n PRO 99 N -0.23 1.52 0.00 -1.68 -0.04 -1.22 -2.00 135.00 131.35 1wki n PRO 99 Ca -0.10 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1wki n PRO 99 Cb 0.61 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wki n GLY 100 N 6.02 1.97 3.23 0.55 0.00 0.30 -4.91 105.19 112.35 1wki n GLY 100 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1wki n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 101 N -0.75 3.18 -0.60 1.61 3.00 -0.84 -2.97 118.95 121.58 1wki s ARG 101 Ca 0.00 -0.75 -0.28 0.00 -1.00 0.00 0.00 55.73 53.71 1wki s ARG 101 Cb 0.00 -2.69 0.02 0.00 0.00 0.00 0.00 34.95 32.27 1wki s ARG 101 CO 0.00 -0.10 1.36 0.08 0.00 0.00 0.00 175.30 176.64 1wki s VAL 102 N 1.10 3.81 -0.05 7.11 1.01 -1.26 0.13 120.40 132.26 1wki s VAL 102 Ca 0.00 0.66 0.13 0.00 0.00 0.00 0.00 61.98 62.78 1wki s VAL 102 Cb -0.14 -4.57 -0.18 0.00 0.00 0.00 0.00 36.38 31.49 1wki s VAL 102 CO -0.05 -1.32 0.87 0.24 0.00 0.00 0.00 175.10 174.84 1wki h MET 103 N 10.67 0.00 -5.07 2.72 0.00 -0.81 -3.43 114.93 119.00 1wki h MET 103 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 59.70 59.09 1wki h MET 103 Cb 1.08 0.00 -0.18 0.00 0.00 0.00 0.00 31.60 32.50 1wki h MET 103 CO 1.20 0.51 -0.74 -0.06 0.00 0.00 0.00 176.91 177.82 1wki s PHE 104 N -2.74 1.15 -0.21 -0.22 0.40 -1.15 -3.28 117.98 111.94 1wki s PHE 104 Ca -0.03 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.56 1wki s PHE 104 Cb 0.08 -0.62 0.07 0.00 0.51 0.00 0.00 43.02 43.07 1wki s PHE 104 CO 0.81 0.04 0.48 -1.21 0.70 0.00 0.00 175.22 176.05 1wki s GLU 105 N -2.84 0.46 0.24 0.44 8.01 -1.05 0.99 118.70 124.94 1wki s GLU 105 Ca 0.07 0.96 0.11 0.00 0.01 0.00 0.00 54.97 56.13 1wki s GLU 105 Cb -0.03 0.12 -0.05 0.00 -4.31 0.00 0.00 34.13 29.86 1wki s GLU 105 CO 0.01 -0.17 -0.20 0.14 0.01 0.00 0.00 175.26 175.05 1wki s VAL 106 N 1.74 2.53 -0.13 2.63 -7.23 -1.17 0.98 120.40 119.75 1wki s VAL 106 Ca -0.08 -2.19 -0.17 0.00 -1.81 0.00 0.00 61.98 57.72 1wki s VAL 106 Cb -0.08 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.61 1wki s VAL 106 CO -0.15 -0.27 0.45 0.00 -0.31 0.00 0.00 175.10 174.82 1wki s ALA 107 N -2.14 -1.13 0.00 1.32 0.00 -1.18 -0.26 121.76 118.36 1wki s ALA 107 Ca 0.26 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1wki s ALA 107 Cb -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1wki s ALA 107 CO 0.13 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1wki n GLY 108 N 2.38 3.08 3.88 0.00 0.00 -1.26 -4.18 105.19 109.08 1wki n GLY 108 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.55 4.77 0.90 1.61 -7.23 -1.26 -5.06 120.40 111.57 1wki s VAL 109 Ca 0.00 0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 60.70 1wki s VAL 109 Cb 0.00 -3.77 0.13 0.00 0.56 0.00 0.00 36.38 33.30 1wki s VAL 109 CO 0.00 -0.65 1.10 0.42 -0.31 0.00 0.00 175.10 175.65 1wki s THR 110 N -2.54 2.65 0.26 5.32 -4.23 -1.26 -4.65 115.64 111.18 1wki s THR 110 Ca 0.52 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1wki s THR 110 Cb -0.10 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1wki s THR 110 CO 0.36 -0.27 1.93 -0.08 -0.54 0.00 0.00 174.62 176.01 1wki h GLU 111 N -1.62 1.28 -0.33 3.99 4.22 -1.97 0.85 114.58 121.00 1wki h GLU 111 Ca -0.48 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 58.83 1wki h GLU 111 Cb 1.27 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1wki h GLU 111 CO 0.51 0.85 0.02 0.93 -2.18 0.00 0.00 179.01 179.13 1wki h GLU 112 N 1.32 0.58 -0.04 1.92 4.39 -1.98 0.35 114.58 121.12 1wki h GLU 112 Ca 0.37 -0.18 -0.22 0.00 0.34 0.00 0.00 59.36 59.67 1wki h GLU 112 Cb -0.13 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1wki h GLU 112 CO -0.08 0.69 -0.88 1.96 -1.16 0.00 0.00 179.01 179.54 1wki h GLN 113 N 0.39 0.47 -0.05 2.33 1.08 -1.83 -2.20 115.11 115.30 1wki h GLN 113 Ca 0.10 -0.46 -0.03 0.00 -1.45 0.00 0.00 58.65 56.81 1wki h GLN 113 Cb 0.42 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1wki h GLN 113 CO 0.01 1.10 -0.10 0.00 -0.95 0.00 0.00 178.83 178.90 1wki h ALA 114 N 0.75 0.08 0.06 3.87 0.00 0.78 -0.63 119.26 124.17 1wki h ALA 114 Ca -0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wki h ALA 114 Cb 1.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1wki h ALA 114 CO 0.16 -0.06 -0.03 0.52 0.00 0.00 0.00 179.25 179.84 1wki h MET 115 N -0.35 -0.08 -0.16 0.00 2.86 -0.39 0.73 114.93 117.55 1wki h MET 115 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1wki h MET 115 Cb 0.68 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1wki h MET 115 CO 0.02 0.05 0.10 1.49 1.06 0.00 0.00 176.91 179.63 1wki h GLU 116 N -0.19 0.21 -0.22 1.72 4.81 -1.48 -0.51 114.58 118.91 1wki h GLU 116 Ca -0.01 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1wki h GLU 116 Cb 0.16 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1wki h GLU 116 CO 0.01 0.16 0.05 0.00 -0.73 0.00 0.00 179.01 178.50 1wki h ALA 117 N 1.04 0.23 -0.02 2.92 0.00 -1.01 0.17 119.26 122.57 1wki h ALA 117 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1wki h ALA 117 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wki h ALA 117 CO -0.01 -0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 178.78 1wki h LEU 118 N 0.14 0.03 -0.10 0.00 4.07 -0.65 -1.85 115.31 116.95 1wki h LEU 118 Ca 0.10 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.82 1wki h LEU 118 Cb 0.09 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.84 1wki h LEU 118 CO -0.13 0.05 -0.91 0.03 -1.08 0.00 0.00 178.44 176.41 1wki h ARG 119 N 0.03 0.73 -0.99 1.13 3.08 0.26 -3.16 114.38 115.46 1wki h ARG 119 Ca 0.01 -0.69 0.11 0.00 0.07 0.00 0.00 59.98 59.48 1wki h ARG 119 Cb 0.05 0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 1wki h ARG 119 CO 0.00 1.28 0.63 0.82 -1.07 0.00 0.00 179.97 181.63 1wki h ILE 120 N 0.46 0.95 -0.17 2.04 2.04 0.12 0.38 117.51 123.33 1wki h ILE 120 Ca -0.09 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1wki h ILE 120 Cb 1.54 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1wki h ILE 120 CO 0.18 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.57 1wki h ALA 121 N 1.53 0.22 0.00 1.87 0.00 -1.52 -2.74 119.26 118.62 1wki h ALA 121 Ca 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1wki h ALA 121 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wki h ALA 121 CO -0.24 -0.17 -0.06 0.78 0.00 0.00 0.00 179.25 179.57 1wki h GLY 122 N 0.11 0.00 1.17 0.00 0.00 -1.31 -3.10 103.07 99.93 1wki h GLY 122 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1wki h GLY 122 CO -0.00 0.00 0.43 0.84 0.00 0.00 0.00 176.54 177.81 1wki h HIS 123 N 0.00 0.69 -0.32 5.60 6.17 0.04 -0.14 115.15 127.19 1wki h HIS 123 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.69 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.39 1wki h HIS 123 CO 0.00 0.38 0.00 0.36 0.71 0.00 0.00 177.93 179.38 1wki n LYS 124 N -4.47 2.28 -2.58 5.26 0.00 -1.17 -4.95 118.16 112.53 1wki n LYS 124 Ca 0.09 -1.92 -0.30 0.00 -0.00 0.00 0.00 58.31 56.17 1wki n LYS 124 Cb 0.20 -1.48 -0.02 0.00 -0.00 0.00 0.00 35.03 33.73 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wki s LEU 125 N -1.51 3.65 -0.05 -5.58 1.43 -0.07 -4.97 118.68 111.58 1wki s LEU 125 Ca 0.36 1.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.72 1wki s LEU 125 Cb 0.21 -4.13 0.27 0.00 0.03 0.00 0.00 46.19 42.57 1wki s LEU 125 CO 0.30 -0.55 1.05 -0.81 0.23 0.00 0.00 176.35 176.57 1wki n PRO 126 N -1.81 2.10 -3.98 1.29 -0.04 -1.26 -4.88 135.00 126.42 1wki n PRO 126 Ca 0.03 -1.07 -0.10 0.00 -0.04 0.00 0.00 63.50 62.33 1wki n PRO 126 Cb 0.54 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.64 0.04 0.31 0.52 -5.25 -1.26 -4.97 121.20 108.95 1wki s ILE 127 Ca 0.19 -1.41 -0.28 0.00 -0.99 0.00 0.00 60.65 58.16 1wki s ILE 127 Cb 0.13 -2.00 -0.09 0.00 2.95 0.00 0.00 42.46 43.45 1wki s ILE 127 CO 0.08 -0.17 1.04 -0.54 -1.79 0.00 0.00 174.94 173.57 1wki s LYS 128 N -4.00 4.53 -0.01 0.37 -0.14 -1.26 -4.93 119.74 114.31 1wki s LYS 128 Ca 0.20 1.61 -0.04 0.00 -1.36 0.00 0.00 55.97 56.39 1wki s LYS 128 Cb 0.02 -2.97 -0.00 0.00 -1.68 0.00 0.00 37.83 33.20 1wki s LYS 128 CO 0.04 0.17 0.07 0.95 -0.76 0.00 0.00 175.35 175.82 1wki s THR 129 N -1.36 0.05 0.08 2.17 -4.23 -1.26 -0.16 115.64 110.94 1wki s THR 129 Ca 0.48 -0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1wki s THR 129 Cb -0.27 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1wki s THR 129 CO 0.34 -0.25 -0.11 -1.59 -0.54 0.00 0.00 174.62 172.47 1wki s LYS 130 N -0.78 0.79 0.12 3.99 -2.85 -0.88 -4.96 119.74 115.18 1wki s LYS 130 Ca -0.09 -1.04 -0.24 0.00 -1.00 0.00 0.00 55.97 53.60 1wki s LYS 130 Cb -0.05 -0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 35.06 1wki s LYS 130 CO 0.00 0.11 0.75 0.42 0.10 0.00 0.00 175.35 176.73 1wki s ILE 131 N -1.95 4.51 -0.14 3.79 -1.09 -1.26 -2.25 121.20 122.81 1wki s ILE 131 Ca 0.01 1.63 -0.07 0.00 -2.23 0.00 0.00 60.65 59.99 1wki s ILE 131 Cb -0.06 -4.10 0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1wki s ILE 131 CO 0.01 0.48 0.33 0.68 -1.23 0.00 0.00 174.94 175.21 1wki s VAL 132 N -0.85 -0.13 0.94 2.92 -7.23 -0.60 -4.96 120.40 110.49 1wki s VAL 132 Ca 0.36 0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.56 1wki s VAL 132 Cb -0.22 -0.50 0.15 0.00 0.56 0.00 0.00 36.38 36.37 1wki s VAL 132 CO 0.24 0.06 1.09 -0.60 -0.31 0.00 0.00 175.10 175.58 1wki s ARG 133 N 1.58 0.91 0.00 4.82 3.52 -1.25 0.14 118.95 128.67 1wki s ARG 133 Ca -0.07 0.83 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1wki s ARG 133 Cb -0.10 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 1wki s ARG 133 CO -0.11 -2.48 0.33 0.54 -0.81 0.00 0.00 175.30 172.77 1wki n ARG 134 N -4.05 0.00 -0.73 5.12 1.74 0.86 -1.60 116.66 118.00 1wki n ARG 134 Ca 0.07 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1wki n ARG 134 Cb 0.55 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 1wki n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wki n ASP 135 N -0.81 -0.50 -4.05 0.55 8.00 -1.26 -4.82 116.55 113.66 1wki n ASP 135 Ca 0.00 -1.40 -0.34 0.00 0.71 0.00 0.00 54.79 53.77 1wki n ASP 135 Cb 0.00 0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wki s ALA 136 N 0.00 3.30 -0.19 2.24 0.00 -0.63 -5.06 121.76 121.43 1wki s ALA 136 Ca 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 51.96 48.98 1wki s ALA 136 Cb 0.00 -2.37 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1wki s ALA 136 CO 0.00 -1.94 -0.05 0.71 0.00 0.00 0.00 175.76 174.48 1wki s TYR 137 N 0.32 1.91 -0.17 0.00 1.51 -1.26 -3.92 117.35 115.74 1wki s TYR 137 Ca 0.14 -1.31 -0.29 0.00 -1.01 0.00 0.00 57.07 54.59 1wki s TYR 137 Cb -0.22 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1wki s TYR 137 CO -0.03 -0.68 1.60 -0.51 -1.11 0.00 0.00 175.55 174.81 1wki s ASP 138 N 1.56 6.51 0.34 2.29 1.11 -1.26 -4.98 116.67 122.24 1wki s ASP 138 Ca -0.02 1.80 -0.26 0.00 0.18 0.00 0.00 52.55 54.25 1wki s ASP 138 Cb -0.17 -2.53 -0.10 0.00 1.07 0.00 0.00 42.92 41.19 1wki s ASP 138 CO -0.07 -1.12 0.97 -1.61 1.18 0.00 0.00 175.17 174.51 1wki s GLU 139 N 4.40 4.49 -0.71 8.23 0.41 -1.26 -4.96 118.70 129.30 1wki s GLU 139 Ca 0.70 1.37 -0.26 0.00 -0.41 0.00 0.00 54.97 56.38 1wki s GLU 139 Cb -0.27 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.32 1wki s GLU 139 CO 0.28 0.18 1.81 0.00 -0.49 0.00 0.00 175.26 177.04 1wki s ALA 140 N -1.63 2.12 0.00 5.21 0.00 -1.26 -5.35 121.76 120.84 1wki s ALA 140 Ca 0.52 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1wki s ALA 140 Cb -0.19 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1wki s ALA 140 CO 0.25 -4.06 0.00 0.94 0.00 0.00 0.00 175.76 172.89