#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 7.25 -4.65 4.03 7.99 -1.26 -4.96 117.00 125.40 1wki n LEU 2 Ca 0.00 -4.78 -0.35 0.00 -0.01 0.00 0.00 56.01 50.88 1wki n LEU 2 Cb 0.00 -1.42 -0.10 0.00 -0.11 0.00 0.00 43.42 41.79 1wki n LEU 2 CO 0.00 1.69 -0.32 -0.04 -1.51 0.00 0.00 177.39 177.21 1wki s MET 3 N -0.42 3.01 -1.24 3.23 -1.94 -1.26 -5.03 119.30 115.65 1wki s MET 3 Ca 0.45 -0.44 -0.20 0.00 -1.71 0.00 0.00 55.69 53.79 1wki s MET 3 Cb 0.13 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 34.19 1wki s MET 3 CO -0.03 0.65 1.85 -0.35 -0.01 0.00 0.00 175.02 177.13 1wki n PRO 4 N 2.29 2.42 -4.00 2.03 -0.04 -1.26 -4.89 135.00 131.55 1wki n PRO 4 Ca -0.18 -2.85 -0.08 0.00 -0.04 0.00 0.00 63.50 60.34 1wki n PRO 4 Cb 0.53 -3.58 -0.10 0.00 -0.04 0.00 0.00 33.50 30.32 1wki n PRO 4 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wki s ARG 5 N 5.22 0.52 -0.11 0.54 1.81 -1.26 -5.06 118.95 120.61 1wki s ARG 5 Ca 0.60 -0.88 0.05 0.00 -1.72 0.00 0.00 55.73 53.79 1wki s ARG 5 Cb 0.03 0.19 -0.10 0.00 -0.45 0.00 0.00 34.95 34.62 1wki s ARG 5 CO 0.10 -0.11 -0.03 0.54 -0.68 0.00 0.00 175.30 175.12 1wki n ARG 6 N 0.77 1.45 -3.68 3.54 3.00 -1.26 -4.91 116.66 115.56 1wki n ARG 6 Ca -0.19 0.03 -0.39 0.00 -0.01 0.00 0.00 57.85 57.30 1wki n ARG 6 Cb 0.58 -1.24 -0.11 0.00 0.00 0.00 0.00 32.46 31.69 1wki n ARG 6 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1wki s MET 7 N -2.23 2.54 0.18 5.56 -1.94 -1.26 -5.07 119.30 117.08 1wki s MET 7 Ca -0.10 -1.40 -0.32 0.00 -1.71 0.00 0.00 55.69 52.16 1wki s MET 7 Cb 0.03 -3.64 -0.11 0.00 2.01 0.00 0.00 34.83 33.13 1wki s MET 7 CO 0.34 -0.86 1.63 0.15 -0.01 0.00 0.00 175.02 176.27 1wki s LYS 8 N 1.38 4.18 -0.01 2.03 3.01 -1.26 -5.00 119.74 124.07 1wki s LYS 8 Ca 0.02 2.46 -0.04 0.00 -1.01 0.00 0.00 55.97 57.40 1wki s LYS 8 Cb -0.22 -3.15 0.00 0.00 -1.01 0.00 0.00 37.83 33.46 1wki s LYS 8 CO 0.02 -0.67 0.08 0.71 0.51 0.00 0.00 175.35 176.00 1wki s TYR 9 N 1.23 0.01 -0.12 3.18 2.02 -1.26 -5.15 117.35 117.26 1wki s TYR 9 Ca 0.72 -0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 57.34 1wki s TYR 9 Cb -0.46 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 1wki s TYR 9 CO 0.32 -0.14 0.12 1.03 -1.57 0.00 0.00 175.55 175.30 1wki s ARG 10 N -0.66 3.42 -0.28 -0.62 0.52 -1.26 -5.08 118.95 114.99 1wki s ARG 10 Ca -0.07 -0.17 -0.04 0.00 -0.52 0.00 0.00 55.73 54.92 1wki s ARG 10 Cb -0.05 -3.15 0.10 0.00 0.52 0.00 0.00 34.95 32.37 1wki s ARG 10 CO 0.00 0.74 0.12 0.15 0.02 0.00 0.00 175.30 176.34 1wki s LYS 11 N -0.93 0.20 0.39 3.54 -0.14 -1.26 -5.13 119.74 116.41 1wki s LYS 11 Ca 0.14 -0.51 -0.27 0.00 -1.36 0.00 0.00 55.97 53.98 1wki s LYS 11 Cb -0.12 -1.27 -0.09 0.00 -1.68 0.00 0.00 37.83 34.67 1wki s LYS 11 CO 0.03 -0.98 1.35 -0.65 -0.76 0.00 0.00 175.35 174.35 1wki s GLN 12 N 2.08 4.05 -0.21 1.68 -0.21 -1.26 -4.92 119.66 120.87 1wki s GLN 12 Ca 0.08 2.28 -0.29 0.00 0.02 0.00 0.00 55.36 57.45 1wki s GLN 12 Cb -0.16 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 1wki s GLN 12 CO -0.34 -0.47 1.64 -0.65 -2.12 0.00 0.00 175.29 173.35 1wki s GLN 13 N -2.14 3.80 -0.06 2.91 -1.52 -1.26 -4.88 119.66 116.52 1wki s GLN 13 Ca 0.55 1.71 -0.06 0.00 -1.95 0.00 0.00 55.36 55.60 1wki s GLN 13 Cb -0.41 -4.04 -0.02 0.00 -0.22 0.00 0.00 33.01 28.32 1wki s GLN 13 CO 0.53 -1.29 -0.12 -2.13 -0.25 0.00 0.00 175.29 172.03 1wki n ARG 14 N 7.66 0.18 -3.74 2.91 3.00 -1.26 -5.10 116.66 120.31 1wki n ARG 14 Ca 0.19 0.07 -0.10 0.00 -0.00 0.00 0.00 57.85 58.01 1wki n ARG 14 Cb 0.45 -0.78 -0.05 0.00 0.00 0.00 0.00 32.46 32.08 1wki n ARG 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1wki s GLY 15 N -3.70 -0.05 0.25 5.14 0.00 -1.26 -5.18 107.32 102.52 1wki s GLY 15 Ca -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1wki s GLY 15 CO 0.15 -0.40 0.26 1.09 0.00 0.00 0.00 173.10 174.20 1wki s ARG 16 N -3.87 1.45 0.30 2.90 1.04 -1.26 -5.18 118.95 114.33 1wki s ARG 16 Ca 0.08 -1.66 -0.03 0.00 -1.04 0.00 0.00 55.73 53.09 1wki s ARG 16 Cb 0.01 0.34 -0.01 0.00 -2.04 0.00 0.00 34.95 33.24 1wki s ARG 16 CO -0.06 -0.53 0.38 -0.51 -0.04 0.00 0.00 175.30 174.55 1wki s LEU 17 N -3.19 1.02 0.10 -1.89 2.01 -1.26 -5.06 118.68 110.41 1wki s LEU 17 Ca 0.36 -1.41 0.13 0.00 0.01 0.00 0.00 54.13 53.22 1wki s LEU 17 Cb 0.04 1.19 -0.13 0.00 0.01 0.00 0.00 46.19 47.30 1wki s LEU 17 CO 0.16 -1.15 1.03 0.11 1.01 0.00 0.00 176.35 177.50 1wki h LYS 18 N 2.23 0.00 -0.25 1.70 1.79 -2.08 -3.45 116.57 116.52 1wki h LYS 18 Ca -0.29 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.30 1wki h LYS 18 Cb 1.24 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.72 1wki h LYS 18 CO 0.40 0.54 -0.13 0.20 -1.08 0.00 0.00 179.45 179.39 1wki s GLY 19 N -4.77 -1.54 -0.50 3.86 0.00 -1.26 -5.12 107.32 97.99 1wki s GLY 19 Ca -0.01 1.21 -0.16 0.00 0.00 0.00 0.00 44.72 45.77 1wki s GLY 19 CO 0.80 4.28 0.44 0.00 0.00 0.00 0.00 173.10 178.62 1wki s ALA 20 N 1.93 3.58 0.30 3.20 0.00 -1.26 -5.04 121.76 124.47 1wki s ALA 20 Ca 0.15 -2.24 0.03 0.00 0.00 0.00 0.00 51.96 49.90 1wki s ALA 20 Cb 0.03 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1wki s ALA 20 CO -0.14 -1.84 0.10 0.25 0.00 0.00 0.00 175.76 174.12 1wki n THR 21 N 5.24 0.00 -3.50 0.00 -2.24 -1.26 -5.14 114.28 107.37 1wki n THR 21 Ca -0.13 -1.70 -0.37 0.00 -2.27 0.00 0.00 64.05 59.58 1wki n THR 21 Cb 0.43 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 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 -3.12 4.08 0.00 -0.78 3.01 -1.26 -5.00 119.74 116.67 1wki s LYS 22 Ca 0.14 0.27 0.00 0.00 -1.01 0.00 0.00 55.97 55.37 1wki s LYS 22 Cb 0.01 -3.33 0.00 0.00 -1.01 0.00 0.00 37.83 33.49 1wki s LYS 22 CO 0.10 0.43 0.00 0.41 0.51 0.00 0.00 175.35 176.80 1wki n GLY 23 N 2.67 0.30 2.02 -3.33 0.00 -1.26 -5.02 105.19 100.56 1wki n GLY 23 Ca -0.12 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.42 -1.32 3.78 -0.02 0.00 -1.25 -5.04 105.19 99.92 1wki n GLY 24 Ca 0.00 0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 1wki n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wki s ASP 25 N -2.10 6.28 -0.19 1.61 1.01 0.15 -4.99 116.67 118.44 1wki s ASP 25 Ca 0.00 0.32 -0.07 0.00 0.71 0.00 0.00 52.55 53.52 1wki s ASP 25 Cb 0.00 -2.09 -0.09 0.00 1.01 0.00 0.00 42.92 41.75 1wki s ASP 25 CO 0.00 0.26 -0.22 0.00 0.21 0.00 0.00 175.17 175.41 1wki n TYR 26 N 2.98 0.00 0.00 4.23 0.18 -1.26 -4.15 117.16 119.14 1wki n TYR 26 Ca -0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.61 1wki n TYR 26 Cb 0.53 -0.68 0.00 0.00 -0.38 0.00 0.00 39.34 38.81 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1wki n VAL 27 N -3.65 0.00 -2.55 -3.48 0.31 -1.26 -4.73 118.33 102.97 1wki n VAL 27 Ca -0.36 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 63.78 1wki n VAL 27 Cb 0.78 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.71 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 -1.22 -0.74 0.00 3.52 0.00 -1.26 -4.90 120.51 115.92 1wki n ALA 28 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1wki n ALA 28 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1wki n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wki n PHE 29 N -3.89 0.00 -1.39 0.00 7.35 -1.26 -5.17 117.46 113.11 1wki n PHE 29 Ca -0.19 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.66 1wki n PHE 29 Cb 0.65 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.39 1wki n PHE 29 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wki n GLY 30 N -0.22 -3.43 0.27 7.13 0.00 -1.26 -4.51 105.19 103.17 1wki n GLY 30 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.24 0.52 -1.89 1.61 3.32 -1.73 -3.38 116.42 113.63 1wki h ASP 31 Ca -0.18 -0.11 -0.58 0.00 0.02 0.00 0.00 57.03 56.18 1wki h ASP 31 Cb 1.29 -0.14 -0.10 0.00 0.22 0.00 0.00 39.33 40.60 1wki h ASP 31 CO 0.07 0.62 -0.60 -0.31 -1.72 0.00 0.00 179.24 177.30 1wki s TYR 32 N -4.88 2.57 -0.21 4.55 2.02 -0.26 0.13 117.35 121.27 1wki s TYR 32 Ca -0.08 -0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 56.07 1wki s TYR 32 Cb 0.15 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 40.24 1wki s TYR 32 CO 0.77 0.44 0.49 0.20 -1.57 0.00 0.00 175.55 175.88 1wki s GLY 33 N -3.74 -0.42 -0.47 0.71 0.00 0.39 -2.95 107.32 100.83 1wki s GLY 33 Ca 0.35 1.76 -0.21 0.00 0.00 0.00 0.00 44.72 46.63 1wki s GLY 33 CO 0.20 2.08 0.70 -2.27 0.00 0.00 0.00 173.10 173.81 1wki s LEU 34 N 1.81 4.54 0.00 0.66 1.98 0.30 -1.88 118.68 126.09 1wki s LEU 34 Ca -0.08 -0.47 -0.06 0.00 -2.89 0.00 0.00 54.13 50.64 1wki s LEU 34 Cb -0.09 -2.69 -0.05 0.00 0.66 0.00 0.00 46.19 44.02 1wki s LEU 34 CO -0.15 -0.89 0.25 0.54 -1.89 0.00 0.00 176.35 174.21 1wki s VAL 35 N 2.98 5.34 -0.43 1.68 0.11 -0.99 -0.45 120.40 128.63 1wki s VAL 35 Ca 0.22 0.10 -0.19 0.00 -2.93 0.00 0.00 61.98 59.18 1wki s VAL 35 Cb -0.15 -3.56 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1wki s VAL 35 CO 0.18 0.36 0.53 0.00 -3.33 0.00 0.00 175.10 172.84 1wki s ALA 36 N -1.30 3.39 -2.00 1.54 0.00 0.56 -2.34 121.76 121.61 1wki s ALA 36 Ca 0.27 -1.40 0.23 0.00 0.00 0.00 0.00 51.96 51.05 1wki s ALA 36 Cb -0.13 -3.17 1.34 0.00 0.00 0.00 0.00 23.12 21.16 1wki s ALA 36 CO 0.16 -1.70 1.83 1.28 0.00 0.00 0.00 175.76 177.34 1wki n LEU 37 N 5.90 0.00 -3.85 0.00 4.77 0.74 0.12 117.00 124.69 1wki n LEU 37 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 1wki n LEU 37 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1wki n LEU 37 CO 0.50 0.00 -0.12 -0.70 -1.33 0.00 0.00 177.39 175.73 1wki s GLU 38 N -2.00 0.54 -0.02 3.23 2.12 -1.25 -4.53 118.70 116.80 1wki s GLU 38 Ca 0.34 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 1wki s GLU 38 Cb 0.15 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 1wki s GLU 38 CO 0.26 -0.13 1.24 -1.25 -0.54 0.00 0.00 175.26 174.84 1wki s PRO 39 N -1.43 4.36 0.30 4.30 0.04 -1.26 -4.26 135.00 137.04 1wki s PRO 39 Ca -0.14 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 1wki s PRO 39 Cb -0.07 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 30.98 1wki s PRO 39 CO 0.02 -0.43 0.68 0.00 0.04 0.00 0.00 177.00 177.31 1wki s ALA 40 N 1.97 -0.84 -0.34 8.56 0.00 -1.13 -4.97 121.76 125.00 1wki s ALA 40 Ca 0.58 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1wki s ALA 40 Cb -0.27 0.87 0.04 0.00 0.00 0.00 0.00 23.12 23.76 1wki s ALA 40 CO 0.25 -0.98 0.10 -1.58 0.00 0.00 0.00 175.76 173.55 1wki s TRP 41 N -3.58 3.26 -0.23 0.00 0.51 -1.26 -1.28 118.94 116.36 1wki s TRP 41 Ca 0.15 -1.46 -0.25 0.00 -2.12 0.00 0.00 56.10 52.42 1wki s TRP 41 Cb -0.05 -2.30 -0.01 0.00 -0.81 0.00 0.00 33.47 30.31 1wki s TRP 41 CO 0.09 -0.74 0.83 0.42 -0.51 0.00 0.00 176.95 177.04 1wki s ILE 42 N 1.39 4.85 0.92 2.03 -1.09 -1.12 -4.74 121.20 123.44 1wki s ILE 42 Ca -0.02 1.58 -0.14 0.00 -2.23 0.00 0.00 60.65 59.84 1wki s ILE 42 Cb -0.20 -4.12 0.16 0.00 -1.58 0.00 0.00 42.46 36.72 1wki s ILE 42 CO 0.03 -0.05 1.24 0.42 -1.23 0.00 0.00 174.94 175.34 1wki s THR 43 N 2.71 1.97 0.17 2.92 -4.23 -1.26 -0.55 115.64 117.37 1wki s THR 43 Ca 0.35 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 1wki s THR 43 Cb -0.15 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.82 1wki s THR 43 CO 0.08 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.90 1wki h ALA 44 N -1.49 0.74 -0.79 3.99 0.00 -1.95 -2.87 119.26 116.89 1wki h ALA 44 Ca -0.46 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.36 1wki h ALA 44 Cb 1.28 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1wki h ALA 44 CO 0.50 0.32 0.49 1.96 0.00 0.00 0.00 179.25 182.53 1wki h GLN 45 N 0.78 0.90 -0.54 0.00 1.08 -1.93 -1.64 115.11 113.75 1wki h GLN 45 Ca 0.19 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1wki h GLN 45 Cb 0.15 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1wki h GLN 45 CO -0.02 0.59 0.36 1.96 -0.95 0.00 0.00 178.83 180.77 1wki h GLN 46 N 0.92 0.59 0.02 1.46 4.20 -1.88 2.56 115.11 122.98 1wki h GLN 46 Ca 0.33 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1wki h GLN 46 Cb 0.09 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1wki h GLN 46 CO -0.14 0.39 -0.01 0.82 -0.67 0.00 0.00 178.83 179.22 1wki h ILE 47 N 0.61 1.38 0.07 2.54 2.04 -1.26 -2.55 117.51 120.34 1wki h ILE 47 Ca 0.22 -1.24 -0.16 0.00 1.00 0.00 0.00 64.86 64.68 1wki h ILE 47 Cb 0.11 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1wki h ILE 47 CO -0.06 0.32 -0.80 -0.08 0.00 0.00 0.00 178.15 177.53 1wki h GLU 48 N -0.56 0.15 -0.46 2.37 4.81 -1.09 -3.06 114.58 116.74 1wki h GLU 48 Ca -0.00 -0.25 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.54 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1wki h GLU 48 CO 0.00 1.12 0.13 0.00 -0.73 0.00 0.00 179.01 179.54 1wki h ALA 49 N -0.07 0.54 -0.53 2.92 0.00 0.43 0.37 119.26 122.92 1wki h ALA 49 Ca -0.18 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wki h ALA 49 Cb 1.43 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1wki h ALA 49 CO 0.03 -0.26 0.14 0.00 0.00 0.00 0.00 179.25 179.15 1wki h ALA 50 N 1.33 0.69 -0.62 0.00 0.00 -1.48 -2.61 119.26 116.57 1wki h ALA 50 Ca 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wki h ALA 50 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1wki h ALA 50 CO -0.25 0.38 0.40 0.00 0.00 0.00 0.00 179.25 179.78 1wki h ARG 51 N 0.74 0.79 -0.82 0.00 3.08 -1.27 -0.60 114.38 116.30 1wki h ARG 51 Ca 0.17 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1wki h ARG 51 Cb 0.32 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1wki h ARG 51 CO -0.00 0.52 0.52 0.28 -1.07 0.00 0.00 179.97 180.22 1wki h VAL 52 N 0.81 1.11 -0.35 2.04 2.07 -0.76 0.31 116.25 121.48 1wki h VAL 52 Ca 0.23 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1wki h VAL 52 Cb -0.06 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1wki h VAL 52 CO -0.07 0.18 -0.32 0.00 0.02 0.00 0.00 177.57 177.38 1wki h ALA 53 N 1.35 0.77 -0.06 1.67 0.00 -1.05 -2.51 119.26 119.42 1wki h ALA 53 Ca 0.33 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1wki h ALA 53 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wki h ALA 53 CO -0.12 0.65 -0.10 0.52 0.00 0.00 0.00 179.25 180.20 1wki h MET 54 N 0.65 0.17 -0.73 0.00 2.07 -0.50 -2.07 114.93 114.52 1wki h MET 54 Ca 0.07 -0.11 0.08 0.00 -2.07 0.00 0.00 59.70 57.67 1wki h MET 54 Cb 0.86 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.56 1wki h MET 54 CO 0.08 0.67 0.48 0.28 1.07 0.00 0.00 176.91 179.49 1wki h VAL 55 N -0.31 0.98 0.00 -2.22 2.07 -0.43 -0.38 116.25 115.95 1wki h VAL 55 Ca 0.00 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1wki h VAL 55 Cb 0.66 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1wki h VAL 55 CO 0.02 0.13 -0.72 0.03 0.02 0.00 0.00 177.57 177.05 1wki h ARG 56 N 0.70 0.00 0.37 1.57 3.08 -1.42 -3.31 114.38 115.36 1wki h ARG 56 Ca 0.33 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1wki h ARG 56 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1wki h ARG 56 CO -0.11 0.72 -0.18 1.25 -1.07 0.00 0.00 179.97 180.58 1wki h HIS 57 N 0.00 -0.46 -0.58 3.04 2.76 -0.34 -3.40 115.15 116.17 1wki h HIS 57 Ca -0.01 -0.01 -0.28 0.00 -2.20 0.00 0.00 60.37 57.87 1wki h HIS 57 Cb 1.31 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 30.39 1wki h HIS 57 CO 0.00 -0.14 1.14 1.19 -1.30 0.00 0.00 177.93 178.81 1wki n PHE 58 N -5.19 0.92 0.17 5.26 3.72 -0.88 -4.74 117.46 116.71 1wki n PHE 58 Ca -0.10 0.08 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 1wki n PHE 58 Cb 0.27 -2.17 0.46 0.00 -0.94 0.00 0.00 39.48 37.10 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 14.24 0.13 -1.03 -1.08 3.08 -1.88 -2.13 114.38 125.71 1wki h ARG 59 Ca -0.07 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.44 1wki h ARG 59 Cb 1.15 -0.02 -0.28 0.00 0.08 0.00 0.00 29.97 30.90 1wki h ARG 59 CO 1.23 0.26 0.66 0.54 -1.07 0.00 0.00 179.97 181.59 1wki n ARG 60 N -4.32 2.26 -1.18 0.04 1.74 -1.26 -5.03 116.66 108.91 1wki n ARG 60 Ca -0.01 -2.82 0.14 0.00 -0.77 0.00 0.00 57.85 54.38 1wki n ARG 60 Cb 0.24 -2.11 -0.08 0.00 -1.02 0.00 0.00 32.46 29.49 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 -0.92 -3.25 0.00 -0.13 0.00 -0.80 -4.96 105.19 95.13 1wki n GLY 61 Ca 0.56 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1wki n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 62 N -3.91 -0.57 3.01 -0.02 0.00 -1.26 -4.60 105.19 97.84 1wki n GLY 62 Ca -0.08 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1wki n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wki s LYS 63 N -2.00 0.27 -0.01 1.61 -2.85 -1.26 -5.00 119.74 110.50 1wki s LYS 63 Ca 0.00 -0.20 0.08 0.00 -1.00 0.00 0.00 55.97 54.84 1wki s LYS 63 Cb 0.00 0.11 -0.02 0.00 -2.06 0.00 0.00 37.83 35.86 1wki s LYS 63 CO 0.00 -0.05 -0.24 0.42 0.10 0.00 0.00 175.35 175.57 1wki s ILE 64 N -0.73 1.93 -0.34 3.79 1.01 -1.26 -3.12 121.20 122.47 1wki s ILE 64 Ca -0.08 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 1wki s ILE 64 Cb -0.05 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.86 1wki s ILE 64 CO 0.00 0.52 0.09 -0.36 0.00 0.00 0.00 174.94 175.19 1wki s PHE 65 N -0.60 3.27 -0.13 3.97 0.08 0.28 -4.94 117.98 119.91 1wki s PHE 65 Ca 0.09 -1.57 -0.16 0.00 0.12 0.00 0.00 56.93 55.42 1wki s PHE 65 Cb -0.09 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1wki s PHE 65 CO -0.01 -0.76 0.38 0.42 -0.10 0.00 0.00 175.22 175.15 1wki s ILE 66 N 1.36 5.24 -0.41 0.64 -1.09 -1.26 -2.10 121.20 123.57 1wki s ILE 66 Ca -0.02 0.74 0.10 0.00 -2.23 0.00 0.00 60.65 59.24 1wki s ILE 66 Cb -0.20 -3.72 -0.11 0.00 -1.58 0.00 0.00 42.46 36.85 1wki s ILE 66 CO 0.02 0.37 0.40 0.54 -1.23 0.00 0.00 174.94 175.03 1wki n ARG 67 N 3.54 3.36 -3.33 2.79 5.12 -1.22 -4.99 116.66 121.93 1wki n ARG 67 Ca -0.10 -0.01 -0.38 0.00 -1.93 0.00 0.00 57.85 55.43 1wki n ARG 67 Cb 0.52 -1.00 -0.06 0.00 -1.16 0.00 0.00 32.46 30.76 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1wki s ILE 68 N -2.02 4.94 -0.02 0.55 -4.36 -1.26 -5.08 121.20 113.96 1wki s ILE 68 Ca 0.03 1.07 -0.00 0.00 -0.26 0.00 0.00 60.65 61.49 1wki s ILE 68 Cb 0.07 -3.84 0.02 0.00 1.25 0.00 0.00 42.46 39.96 1wki s ILE 68 CO 0.41 0.49 0.03 0.12 0.24 0.00 0.00 174.94 176.22 1wki s PHE 69 N -0.57 0.01 0.21 1.37 2.19 -1.26 -5.05 117.98 114.89 1wki s PHE 69 Ca 0.27 0.10 -0.31 0.00 0.33 0.00 0.00 56.93 57.33 1wki s PHE 69 Cb -0.18 -0.15 -0.10 0.00 -1.31 0.00 0.00 43.02 41.28 1wki s PHE 69 CO 0.15 -0.06 1.53 -2.14 1.83 0.00 0.00 175.22 176.53 1wki s PRO 70 N 0.72 4.22 0.00 10.12 0.02 -1.26 -4.44 135.00 144.38 1wki s PRO 70 Ca -0.06 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1wki s PRO 70 Cb -0.09 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1wki s PRO 70 CO -0.02 -0.55 0.00 -0.25 -0.33 0.00 0.00 177.00 175.85 1wki n ASP 71 N 3.15 0.00 -4.67 2.53 8.00 0.10 -4.82 116.55 120.84 1wki n ASP 71 Ca 0.11 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 1wki n ASP 71 Cb 0.39 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wki s LYS 72 N -1.83 4.26 0.85 -1.24 -0.14 -1.10 -4.84 119.74 115.70 1wki s LYS 72 Ca 0.00 1.72 -0.14 0.00 -1.36 0.00 0.00 55.97 56.19 1wki s LYS 72 Cb 0.00 -3.72 0.02 0.00 -1.68 0.00 0.00 37.83 32.45 1wki s LYS 72 CO 0.00 -0.65 0.61 -2.30 -0.76 0.00 0.00 175.35 172.24 1wki n PRO 73 N 6.26 -0.01 -3.84 -1.68 -0.02 -1.26 -2.17 135.00 132.28 1wki n PRO 73 Ca 0.13 0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1wki n PRO 73 Cb 0.45 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 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 -2.19 2.63 -0.08 6.00 6.14 -0.79 -4.76 117.35 124.30 1wki s TYR 74 Ca 0.63 -2.83 0.04 0.00 0.64 0.00 0.00 57.07 55.55 1wki s TYR 74 Cb -0.27 -2.39 -0.01 0.00 0.42 0.00 0.00 41.96 39.71 1wki s TYR 74 CO 0.61 -0.76 -0.23 0.95 0.64 0.00 0.00 175.55 176.76 1wki s THR 75 N 0.00 2.20 -0.50 4.34 -4.23 -1.26 0.11 115.64 116.30 1wki s THR 75 Ca 0.17 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 1wki s THR 75 Cb -0.25 -1.83 0.39 0.00 1.34 0.00 0.00 72.50 72.15 1wki s THR 75 CO 0.00 0.56 1.07 0.29 -0.54 0.00 0.00 174.62 176.00 1wki n LYS 76 N 3.22 3.37 -4.52 3.99 5.02 -1.26 -5.02 118.16 122.95 1wki n LYS 76 Ca -0.18 -4.63 -0.34 0.00 -2.02 0.00 0.00 58.31 51.14 1wki n LYS 76 Cb 0.52 -2.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.17 1wki n LYS 76 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wki s LYS 77 N -3.53 3.13 0.61 1.97 0.00 -1.26 -5.12 119.74 115.54 1wki s LYS 77 Ca 0.48 -0.52 -0.10 0.00 0.00 0.00 0.00 55.97 55.83 1wki s LYS 77 Cb 0.36 -2.73 0.15 0.00 0.00 0.00 0.00 37.83 35.60 1wki s LYS 77 CO -0.17 0.51 0.61 -0.35 0.00 0.00 0.00 175.35 175.94 1wki n PRO 78 N 2.72 -1.76 -3.57 1.78 -0.04 -1.26 -5.03 135.00 127.83 1wki n PRO 78 Ca -0.18 -0.96 -0.37 0.00 -0.04 0.00 0.00 63.50 61.95 1wki n PRO 78 Cb 0.53 -0.83 -0.07 0.00 -0.04 0.00 0.00 33.50 33.10 1wki n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wki s LEU 79 N 0.00 4.33 -0.28 1.53 2.01 -1.26 -4.70 118.68 120.31 1wki s LEU 79 Ca 0.38 0.64 -0.01 0.00 0.01 0.00 0.00 54.13 55.16 1wki s LEU 79 Cb -0.03 -2.40 0.00 0.00 0.01 0.00 0.00 46.19 43.78 1wki s LEU 79 CO 0.28 0.21 0.02 1.21 1.01 0.00 0.00 176.35 179.08 1wki n GLU 80 N 2.82 -3.41 -3.64 1.70 2.13 -1.26 -4.98 120.64 114.01 1wki n GLU 80 Ca -0.14 2.73 -0.40 0.00 0.66 0.00 0.00 57.16 60.02 1wki n GLU 80 Cb 0.52 -5.14 -0.11 0.00 0.27 0.00 0.00 31.44 26.98 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wki s VAL 81 N -1.48 4.35 0.00 6.31 1.01 -1.26 -4.88 120.40 124.45 1wki s VAL 81 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1wki s VAL 81 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1wki s VAL 81 CO 0.74 -0.22 0.00 0.54 0.00 0.00 0.00 175.10 176.17 1wki n ARG 82 N 4.94 0.00 0.00 2.72 5.12 -1.26 -2.66 116.66 125.53 1wki n ARG 82 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1wki n ARG 82 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1wki n ARG 82 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1wki n MET 83 N 0.00 0.00 0.00 5.56 1.56 -1.26 -5.13 117.12 117.85 1wki n MET 83 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1wki n MET 83 Cb 0.00 -0.18 0.00 0.00 2.15 0.00 0.00 33.22 35.19 1wki n MET 83 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1wki n GLY 84 N 1.55 1.82 0.06 -5.12 0.00 -1.09 -5.04 105.19 97.37 1wki n GLY 84 Ca 0.00 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.51 0.00 1.61 4.76 -1.26 -5.01 118.16 118.77 1wki n LYS 85 Ca 0.00 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wki n LYS 85 Cb 0.00 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 86 N 1.26 2.75 3.21 0.72 0.00 -1.26 -4.93 105.19 106.95 1wki n GLY 86 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 1wki n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wki s LYS 87 N 0.00 0.32 0.00 1.61 2.20 -1.26 -5.16 119.74 117.44 1wki s LYS 87 Ca 0.00 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1wki s LYS 87 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1wki s LYS 87 CO 0.00 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1wki n GLY 88 N 4.86 -2.53 3.16 5.54 0.00 -1.26 -5.03 105.19 109.93 1wki n GLY 88 Ca -0.15 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1wki n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wki s ASN 89 N -1.84 2.67 -0.12 1.61 2.47 -1.26 -5.11 114.94 113.36 1wki s ASN 89 Ca 0.00 -0.47 -0.30 0.00 0.42 0.00 0.00 52.86 52.51 1wki s ASN 89 Cb 0.00 -1.18 -0.01 0.00 -1.45 0.00 0.00 41.25 38.60 1wki s ASN 89 CO 0.00 0.13 1.08 0.54 -3.72 0.00 0.00 177.10 175.13 1wki s VAL 90 N 0.40 4.59 -0.59 -5.21 0.11 -1.26 -4.61 120.40 113.82 1wki s VAL 90 Ca -0.16 1.88 -0.04 0.00 -2.93 0.00 0.00 61.98 60.73 1wki s VAL 90 Cb -0.17 -4.21 0.08 0.00 -1.53 0.00 0.00 36.38 30.55 1wki s VAL 90 CO 0.07 -0.04 2.68 -0.62 -3.33 0.00 0.00 175.10 173.86 1wki n GLU 91 N 5.40 2.75 0.00 1.54 -0.58 0.29 -4.97 120.64 125.07 1wki n GLU 91 Ca 0.10 -2.57 0.00 0.00 -0.42 0.00 0.00 57.16 54.27 1wki n GLU 91 Cb 0.47 -2.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 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 0.93 -1.74 3.82 0.62 0.00 -1.26 -4.73 105.19 102.82 1wki n GLY 92 Ca 0.51 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.71 3.18 0.30 1.61 1.51 -1.26 -1.88 117.35 119.10 1wki s TYR 93 Ca 0.00 -0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1wki s TYR 93 Cb 0.00 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1wki s TYR 93 CO 0.00 0.52 0.17 0.14 -1.11 0.00 0.00 175.55 175.27 1wki s VAL 94 N -1.82 0.26 -0.28 0.71 -7.23 -0.92 -3.14 120.40 107.98 1wki s VAL 94 Ca 0.32 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1wki s VAL 94 Cb -0.10 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.42 1wki s VAL 94 CO 0.24 0.00 0.04 0.00 -0.31 0.00 0.00 175.10 175.07 1wki s ALA 95 N -3.64 1.82 0.16 1.32 0.00 0.28 -0.72 121.76 120.99 1wki s ALA 95 Ca 0.36 -1.61 -0.33 0.00 0.00 0.00 0.00 51.96 50.39 1wki s ALA 95 Cb 0.05 -1.57 -0.13 0.00 0.00 0.00 0.00 23.12 21.47 1wki s ALA 95 CO 0.18 -1.47 1.65 0.28 0.00 0.00 0.00 175.76 176.40 1wki n VAL 96 N 4.72 0.05 -4.36 0.00 0.31 -1.26 -2.77 118.33 115.02 1wki n VAL 96 Ca -0.05 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 1wki n VAL 96 Cb 0.43 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 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 1.25 1.69 0.13 2.52 1.01 -0.40 -5.00 120.40 121.60 1wki s VAL 97 Ca 0.78 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.63 1wki s VAL 97 Cb -0.61 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1wki s VAL 97 CO 0.37 -0.53 -0.12 -0.54 0.00 0.00 0.00 175.10 174.28 1wki s LYS 98 N -3.67 1.03 -0.29 2.72 3.01 -1.26 -2.85 119.74 118.43 1wki s LYS 98 Ca 0.24 -1.33 -0.36 0.00 -1.01 0.00 0.00 55.97 53.52 1wki s LYS 98 Cb 0.00 -0.76 -0.12 0.00 -1.01 0.00 0.00 37.83 35.94 1wki s LYS 98 CO 0.08 0.12 2.07 -0.35 0.51 0.00 0.00 175.35 177.79 1wki n PRO 99 N 0.21 1.28 0.00 -1.68 -0.04 -1.23 -2.05 135.00 131.49 1wki n PRO 99 Ca -0.13 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1wki n PRO 99 Cb 0.59 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 5.83 1.85 3.36 0.55 0.00 0.32 -4.47 105.19 112.62 1wki n GLY 100 Ca 0.36 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 -0.71 3.42 -0.61 1.61 6.06 -0.87 -0.68 118.95 127.17 1wki s ARG 101 Ca 0.00 -0.64 -0.28 0.00 -2.50 0.00 0.00 55.73 52.31 1wki s ARG 101 Cb 0.00 -2.81 0.03 0.00 0.06 0.00 0.00 34.95 32.23 1wki s ARG 101 CO 0.00 0.06 1.21 0.08 -2.50 0.00 0.00 175.30 174.15 1wki s VAL 102 N 0.78 3.96 -0.09 7.11 1.01 -1.26 -0.32 120.40 131.59 1wki s VAL 102 Ca -0.03 0.81 0.15 0.00 0.00 0.00 0.00 61.98 62.91 1wki s VAL 102 Cb -0.15 -4.76 -0.20 0.00 0.00 0.00 0.00 36.38 31.27 1wki s VAL 102 CO 0.01 -1.44 0.65 0.23 0.00 0.00 0.00 175.10 174.56 1wki n MET 103 N 8.62 0.63 -4.09 2.72 0.00 0.40 -4.70 117.12 120.70 1wki n MET 103 Ca 0.08 0.22 -0.14 0.00 0.00 0.00 0.00 57.70 57.86 1wki n MET 103 Cb 0.49 -1.76 -0.11 0.00 0.00 0.00 0.00 33.22 31.84 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 -2.75 0.80 -0.18 2.03 0.40 -1.16 -3.37 117.98 113.75 1wki s PHE 104 Ca -0.05 -0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 55.70 1wki s PHE 104 Cb 0.08 -0.47 0.09 0.00 0.51 0.00 0.00 43.02 43.23 1wki s PHE 104 CO 0.82 -0.06 0.37 -1.21 0.70 0.00 0.00 175.22 175.84 1wki s GLU 105 N -1.81 0.28 0.25 0.44 8.01 -0.89 0.11 118.70 125.07 1wki s GLU 105 Ca -0.06 0.92 0.09 0.00 0.01 0.00 0.00 54.97 55.92 1wki s GLU 105 Cb -0.09 0.16 -0.04 0.00 -4.31 0.00 0.00 34.13 29.85 1wki s GLU 105 CO 0.00 -0.29 0.02 0.14 0.01 0.00 0.00 175.26 175.14 1wki s VAL 106 N 2.55 3.63 -0.17 2.63 -7.23 -1.15 0.10 120.40 120.76 1wki s VAL 106 Ca 0.00 -1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 58.28 1wki s VAL 106 Cb -0.12 -2.92 0.05 0.00 0.56 0.00 0.00 36.38 33.94 1wki s VAL 106 CO -0.12 -0.32 0.43 0.00 -0.31 0.00 0.00 175.10 174.79 1wki s ALA 107 N -2.17 -1.08 0.00 1.32 0.00 -1.18 -1.10 121.76 117.54 1wki s ALA 107 Ca 0.31 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1wki s ALA 107 Cb -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1wki s ALA 107 CO 0.20 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1wki n GLY 108 N 3.20 3.04 3.79 0.00 0.00 -1.26 -4.15 105.19 109.81 1wki n GLY 108 Ca -0.16 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.99 3.65 0.92 1.61 -7.23 -1.26 -5.03 120.40 112.08 1wki s VAL 109 Ca 0.00 0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 60.76 1wki s VAL 109 Cb 0.00 -3.26 0.14 0.00 0.56 0.00 0.00 36.38 33.82 1wki s VAL 109 CO 0.00 -0.54 1.09 0.42 -0.31 0.00 0.00 175.10 175.76 1wki s THR 110 N -2.59 2.54 0.23 5.32 -4.23 -1.26 -4.65 115.64 111.00 1wki s THR 110 Ca 0.63 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.23 1wki s THR 110 Cb -0.17 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.27 1wki s THR 110 CO 0.44 -0.23 1.89 -0.08 -0.54 0.00 0.00 174.62 176.10 1wki h GLU 111 N -1.67 1.09 -0.46 3.99 4.81 -1.97 0.79 114.58 121.17 1wki h GLU 111 Ca -0.50 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.60 1wki h GLU 111 Cb 1.29 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1wki h GLU 111 CO 0.54 0.72 0.04 1.49 -0.73 0.00 0.00 179.01 181.07 1wki h GLU 112 N 1.13 0.78 -0.04 1.92 4.22 -1.98 0.43 114.58 121.03 1wki h GLU 112 Ca 0.32 -0.23 -0.25 0.00 0.08 0.00 0.00 59.36 59.28 1wki h GLU 112 Cb -0.10 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.08 1wki h GLU 112 CO -0.08 0.81 -0.95 1.96 -2.18 0.00 0.00 179.01 178.57 1wki h GLN 113 N 0.64 0.69 -0.05 1.92 1.08 -1.83 -2.40 115.11 115.15 1wki h GLN 113 Ca 0.14 -0.68 -0.04 0.00 -1.45 0.00 0.00 58.65 56.62 1wki h GLN 113 Cb 0.43 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1wki h GLN 113 CO 0.01 1.27 -0.11 0.00 -0.95 0.00 0.00 178.83 179.06 1wki h ALA 114 N 0.50 0.08 -0.38 3.87 0.00 0.64 -0.47 119.26 123.51 1wki h ALA 114 Ca -0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wki h ALA 114 Cb 1.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1wki h ALA 114 CO 0.19 -0.04 0.22 0.52 0.00 0.00 0.00 179.25 180.13 1wki h MET 115 N -0.34 0.52 -0.09 0.00 2.86 -0.24 0.13 114.93 117.76 1wki h MET 115 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1wki h MET 115 Cb 0.70 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1wki h MET 115 CO 0.02 0.40 0.00 1.49 1.06 0.00 0.00 176.91 179.89 1wki h GLU 116 N 0.49 0.16 -0.22 1.72 4.81 -1.49 -1.94 114.58 118.10 1wki h GLU 116 Ca 0.13 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1wki h GLU 116 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1wki h GLU 116 CO -0.02 0.41 0.07 0.00 -0.73 0.00 0.00 179.01 178.74 1wki h ALA 117 N 0.74 0.23 -0.25 2.92 0.00 -0.95 0.74 119.26 122.70 1wki h ALA 117 Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wki h ALA 117 CO 0.00 -0.36 0.17 -0.07 0.00 0.00 0.00 179.25 179.00 1wki h LEU 118 N 0.16 0.17 -0.08 0.00 4.07 -0.73 -1.77 115.31 117.13 1wki h LEU 118 Ca 0.09 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.81 1wki h LEU 118 Cb 0.07 -0.04 0.02 0.00 1.08 0.00 0.00 40.66 41.78 1wki h LEU 118 CO -0.10 0.12 -0.89 0.03 -1.08 0.00 0.00 178.44 176.52 1wki h ARG 119 N 0.20 0.74 -0.94 1.13 3.08 -0.43 -3.19 114.38 114.98 1wki h ARG 119 Ca 0.10 -0.69 0.17 0.00 0.07 0.00 0.00 59.98 59.63 1wki h ARG 119 Cb 0.17 0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 1wki h ARG 119 CO -0.02 1.28 0.60 0.82 -1.07 0.00 0.00 179.97 181.58 1wki h ILE 120 N 0.45 0.77 -0.39 2.04 2.04 0.01 0.34 117.51 122.77 1wki h ILE 120 Ca -0.09 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 1wki h ILE 120 Cb 1.53 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1wki h ILE 120 CO 0.18 0.12 0.01 0.00 0.00 0.00 0.00 178.15 178.46 1wki h ALA 121 N 1.61 0.53 0.00 1.87 0.00 -1.52 -2.89 119.26 118.87 1wki h ALA 121 Ca 0.50 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1wki h ALA 121 Cb 0.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wki h ALA 121 CO -0.25 0.30 -0.43 0.78 0.00 0.00 0.00 179.25 179.65 1wki h GLY 122 N 0.52 0.00 1.50 0.00 0.00 -1.00 -2.99 103.07 101.10 1wki h GLY 122 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1wki h GLY 122 CO 0.02 0.00 0.28 0.45 0.00 0.00 0.00 176.54 177.29 1wki h HIS 123 N 0.00 0.44 -0.02 5.60 -0.00 -0.21 0.13 115.15 121.10 1wki h HIS 123 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1wki h HIS 123 Cb 0.92 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1wki h HIS 123 CO 0.00 0.26 -0.13 0.36 -0.00 0.00 0.00 177.93 178.42 1wki n LYS 124 N -4.48 1.52 -2.46 2.45 2.85 -1.14 -4.93 118.16 111.97 1wki n LYS 124 Ca 0.04 -1.03 -0.29 0.00 -1.05 0.00 0.00 58.31 55.97 1wki n LYS 124 Cb 0.14 -1.48 -0.01 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.20 3.57 -0.03 -5.58 1.43 0.03 -4.97 118.68 110.94 1wki s LEU 125 Ca 0.30 1.17 0.06 0.00 -1.03 0.00 0.00 54.13 54.63 1wki s LEU 125 Cb 0.20 -4.13 0.24 0.00 0.03 0.00 0.00 46.19 42.53 1wki s LEU 125 CO 0.41 -0.61 1.08 -0.81 0.23 0.00 0.00 176.35 176.65 1wki n PRO 126 N -2.10 1.83 -4.03 1.29 -0.04 -1.26 -4.87 135.00 125.82 1wki n PRO 126 Ca 0.03 -0.94 -0.10 0.00 -0.04 0.00 0.00 63.50 62.45 1wki n PRO 126 Cb 0.54 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.05 0.28 0.52 -5.25 -1.26 -4.98 121.20 108.91 1wki s ILE 127 Ca 0.17 -1.57 -0.26 0.00 -0.99 0.00 0.00 60.65 58.00 1wki s ILE 127 Cb 0.10 -2.05 -0.09 0.00 2.95 0.00 0.00 42.46 43.37 1wki s ILE 127 CO 0.09 -0.22 0.90 -0.75 -1.79 0.00 0.00 174.94 173.18 1wki s LYS 128 N -4.02 4.60 -0.01 0.37 2.36 -1.26 -4.87 119.74 116.91 1wki s LYS 128 Ca 0.23 1.29 -0.06 0.00 -2.55 0.00 0.00 55.97 54.88 1wki s LYS 128 Cb 0.04 -2.95 0.00 0.00 -1.05 0.00 0.00 37.83 33.87 1wki s LYS 128 CO 0.04 0.37 0.12 0.95 1.55 0.00 0.00 175.35 178.37 1wki s THR 129 N -1.48 0.07 0.16 3.43 -4.23 -1.26 -0.18 115.64 112.15 1wki s THR 129 Ca 0.46 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1wki s THR 129 Cb -0.20 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 1wki s THR 129 CO 0.25 -0.32 -0.13 -1.59 -0.54 0.00 0.00 174.62 172.29 1wki s LYS 130 N -1.10 1.15 0.03 3.99 -2.85 -0.99 -4.95 119.74 115.03 1wki s LYS 130 Ca -0.12 -1.43 -0.19 0.00 -1.00 0.00 0.00 55.97 53.23 1wki s LYS 130 Cb -0.07 -0.92 -0.06 0.00 -2.06 0.00 0.00 37.83 34.72 1wki s LYS 130 CO 0.01 0.15 0.55 0.42 0.10 0.00 0.00 175.35 176.59 1wki s ILE 131 N -2.76 4.84 -0.14 3.79 -1.09 -1.26 -2.34 121.20 122.23 1wki s ILE 131 Ca 0.16 1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 59.61 1wki s ILE 131 Cb -0.01 -3.88 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1wki s ILE 131 CO 0.04 0.51 0.40 0.68 -1.23 0.00 0.00 174.94 175.34 1wki s VAL 132 N -0.77 0.00 0.77 2.92 -7.23 -0.79 -4.97 120.40 110.33 1wki s VAL 132 Ca 0.29 -0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 1wki s VAL 132 Cb -0.19 -0.56 0.05 0.00 0.56 0.00 0.00 36.38 36.24 1wki s VAL 132 CO 0.17 -0.01 1.11 -0.60 -0.31 0.00 0.00 175.10 175.46 1wki s ARG 133 N 0.14 2.36 -0.89 4.82 3.52 -1.25 0.15 118.95 127.79 1wki s ARG 133 Ca -0.01 0.50 -0.15 0.00 -0.13 0.00 0.00 55.73 55.94 1wki s ARG 133 Cb -0.03 -1.96 -0.26 0.00 -1.56 0.00 0.00 34.95 31.14 1wki s ARG 133 CO 0.01 -1.40 2.19 -2.13 -0.81 0.00 0.00 175.30 173.17 1wki n ARG 134 N -3.26 0.19 -3.08 5.12 0.63 0.34 0.49 116.66 117.09 1wki n ARG 134 Ca 0.07 -0.32 -0.13 0.00 -0.92 0.00 0.00 57.85 56.55 1wki n ARG 134 Cb 0.57 -1.95 0.05 0.00 0.45 0.00 0.00 32.46 31.58 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wki n ASP 135 N 10.15 -3.82 -4.07 6.15 2.03 -1.26 -5.00 116.55 120.73 1wki n ASP 135 Ca 0.58 -0.35 -0.35 0.00 0.52 0.00 0.00 54.79 55.19 1wki n ASP 135 Cb 0.26 -3.33 -0.12 0.00 -0.72 0.00 0.00 41.12 37.21 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 -3.21 3.32 -0.43 -1.67 0.00 0.18 -5.03 121.76 114.91 1wki s ALA 136 Ca 0.24 -2.94 0.02 0.00 0.00 0.00 0.00 51.96 49.28 1wki s ALA 136 Cb -0.11 -2.41 0.13 0.00 0.00 0.00 0.00 23.12 20.73 1wki s ALA 136 CO 0.45 -1.94 0.21 0.71 0.00 0.00 0.00 175.76 175.19 1wki s TYR 137 N 0.40 2.41 0.55 0.00 1.51 -1.26 -3.82 117.35 117.14 1wki s TYR 137 Ca 0.13 -2.58 -0.17 0.00 -1.01 0.00 0.00 57.07 53.44 1wki s TYR 137 Cb -0.22 -2.19 -0.06 0.00 -0.11 0.00 0.00 41.96 39.38 1wki s TYR 137 CO -0.04 -0.80 1.04 0.34 -1.11 0.00 0.00 175.55 174.99 1wki s ASP 138 N 0.41 6.06 -0.01 2.29 2.15 -1.26 -5.04 116.67 121.27 1wki s ASP 138 Ca 0.16 1.83 -0.17 0.00 0.43 0.00 0.00 52.55 54.80 1wki s ASP 138 Cb -0.23 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.79 1wki s ASP 138 CO -0.04 -0.98 0.47 -1.61 -0.17 0.00 0.00 175.17 172.84 1wki s GLU 139 N -3.78 4.09 -0.40 4.34 0.41 -1.26 -5.06 118.70 117.03 1wki s GLU 139 Ca 0.64 0.51 -0.06 0.00 -0.41 0.00 0.00 54.97 55.65 1wki s GLU 139 Cb -0.16 -3.27 0.09 0.00 -1.78 0.00 0.00 34.13 29.01 1wki s GLU 139 CO 0.30 0.56 0.21 0.00 -0.49 0.00 0.00 175.26 175.85 1wki s ALA 140 N -0.70 3.19 0.00 5.21 0.00 -1.26 -5.36 121.76 122.84 1wki s ALA 140 Ca 0.26 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1wki s ALA 140 Cb -0.17 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1wki s ALA 140 CO 0.14 -1.66 0.00 1.04 0.00 0.00 0.00 175.76 175.28