#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 4.63 -0.23 3.17 1.43 -1.26 -4.99 118.68 121.44 1wki s LEU 2 Ca 0.00 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1wki s LEU 2 Cb 0.00 -2.52 0.09 0.00 0.03 0.00 0.00 46.19 43.78 1wki s LEU 2 CO 0.00 -1.17 0.15 -0.04 0.23 0.00 0.00 176.35 175.52 1wki s MET 3 N 3.39 0.15 -0.89 1.70 -1.94 -1.26 -5.04 119.30 115.41 1wki s MET 3 Ca 0.21 -0.21 -0.07 0.00 -1.71 0.00 0.00 55.69 53.91 1wki s MET 3 Cb -0.17 -1.37 -0.11 0.00 2.01 0.00 0.00 34.83 35.18 1wki s MET 3 CO 0.13 -0.83 2.68 -0.35 -0.01 0.00 0.00 175.02 176.63 1wki n PRO 4 N 5.28 2.51 -2.28 2.03 -0.04 -1.26 -4.76 135.00 136.48 1wki n PRO 4 Ca -0.06 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1wki n PRO 4 Cb 0.46 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1wki n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wki n ARG 5 N 3.49 -5.27 -4.33 0.54 1.74 -1.26 -5.07 116.66 106.50 1wki n ARG 5 Ca 0.54 3.78 -0.17 0.00 -0.77 0.00 0.00 57.85 61.23 1wki n ARG 5 Cb 0.35 -4.54 -0.10 0.00 -1.02 0.00 0.00 32.46 27.14 1wki n ARG 5 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1wki s ARG 6 N -0.57 1.40 0.46 5.56 1.04 -1.26 -5.13 118.95 120.45 1wki s ARG 6 Ca 0.00 -1.74 -0.24 0.00 -1.04 0.00 0.00 55.73 52.70 1wki s ARG 6 Cb 0.00 -0.43 -0.07 0.00 -2.04 0.00 0.00 34.95 32.40 1wki s ARG 6 CO 0.00 -0.22 1.33 -1.64 -0.04 0.00 0.00 175.30 174.73 1wki s MET 7 N -3.96 3.64 0.03 3.89 -1.94 -1.26 -4.96 119.30 114.74 1wki s MET 7 Ca 0.34 2.20 -0.19 0.00 -1.71 0.00 0.00 55.69 56.33 1wki s MET 7 Cb 0.07 -2.55 -0.11 0.00 2.01 0.00 0.00 34.83 34.26 1wki s MET 7 CO 0.12 -0.78 1.29 -0.22 -0.01 0.00 0.00 175.02 175.42 1wki h LYS 8 N 2.17 -0.67 -0.24 2.03 3.64 -2.07 -3.41 116.57 118.03 1wki h LYS 8 Ca -0.50 0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 58.70 1wki h LYS 8 Cb 1.27 0.15 -0.24 0.00 -0.41 0.00 0.00 32.23 33.00 1wki h LYS 8 CO 0.60 -0.44 -0.60 0.66 -2.27 0.00 0.00 179.45 177.40 1wki n TYR 9 N -3.87 -1.07 -2.57 1.91 4.01 -1.26 -5.11 117.16 109.20 1wki n TYR 9 Ca -0.09 -2.02 -0.43 0.00 -0.16 0.00 0.00 57.90 55.21 1wki n TYR 9 Cb 0.27 0.94 -0.02 0.00 -0.31 0.00 0.00 39.34 40.22 1wki n TYR 9 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wki s ARG 10 N -1.10 4.36 0.17 -0.72 1.81 -1.26 -5.02 118.95 117.18 1wki s ARG 10 Ca 0.19 1.53 -0.21 0.00 -1.72 0.00 0.00 55.73 55.52 1wki s ARG 10 Cb 0.41 -3.58 -0.08 0.00 -0.45 0.00 0.00 34.95 31.26 1wki s ARG 10 CO -0.08 -0.44 0.70 0.21 -0.68 0.00 0.00 175.30 175.01 1wki s LYS 11 N 2.35 4.32 -0.28 3.54 2.20 -1.26 -5.06 119.74 125.56 1wki s LYS 11 Ca 0.52 0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 56.95 1wki s LYS 11 Cb -0.21 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1wki s LYS 11 CO 0.18 0.51 0.10 -0.65 -0.36 0.00 0.00 175.35 175.13 1wki s GLN 12 N -1.53 3.43 0.28 4.03 1.11 -1.26 -5.09 119.66 120.63 1wki s GLN 12 Ca 0.37 -0.63 0.10 0.00 0.01 0.00 0.00 55.36 55.21 1wki s GLN 12 Cb -0.19 -3.41 -0.05 0.00 -1.01 0.00 0.00 33.01 28.35 1wki s GLN 12 CO 0.22 -0.31 -0.03 -0.65 0.01 0.00 0.00 175.29 174.52 1wki s GLN 13 N 1.59 2.17 -0.56 2.91 -0.21 -1.26 -5.03 119.66 119.26 1wki s GLN 13 Ca 0.05 -1.51 -0.02 0.00 0.02 0.00 0.00 55.36 53.89 1wki s GLN 13 Cb -0.16 -2.07 0.23 0.00 1.00 0.00 0.00 33.01 32.01 1wki s GLN 13 CO 0.04 0.33 2.30 2.89 -2.12 0.00 0.00 175.29 178.73 1wki n ARG 14 N -0.86 2.42 0.00 2.91 1.85 -1.26 -4.27 116.66 117.44 1wki n ARG 14 Ca -0.06 -2.65 0.00 0.00 -1.00 0.00 0.00 57.85 54.15 1wki n ARG 14 Cb 0.60 -2.09 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wki n GLY 15 N 0.09 -0.24 3.74 2.89 0.00 -1.26 -5.15 105.19 105.27 1wki n GLY 15 Ca 0.49 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 46.23 1wki n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 16 N 0.00 2.94 -0.42 1.61 0.52 -1.26 -5.00 118.95 117.34 1wki s ARG 16 Ca 0.00 2.20 0.02 0.00 -0.52 0.00 0.00 55.73 57.43 1wki s ARG 16 Cb 0.00 -2.13 0.19 0.00 0.52 0.00 0.00 34.95 33.53 1wki s ARG 16 CO 0.00 -1.34 0.82 -1.17 0.02 0.00 0.00 175.30 173.64 1wki s LEU 17 N -3.80 -1.06 0.13 2.53 1.98 -1.26 -5.01 118.68 112.19 1wki s LEU 17 Ca 0.75 -0.89 0.13 0.00 -2.89 0.00 0.00 54.13 51.23 1wki s LEU 17 Cb -0.40 1.37 -0.11 0.00 0.66 0.00 0.00 46.19 47.70 1wki s LEU 17 CO 0.46 -0.08 1.12 0.07 -1.89 0.00 0.00 176.35 176.03 1wki h LYS 18 N 5.56 0.00 0.00 1.98 2.10 -2.08 -3.50 116.57 120.64 1wki h LYS 18 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1wki h LYS 18 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1wki h LYS 18 CO 0.00 0.60 0.00 0.41 -2.00 0.00 0.00 179.45 178.46 1wki n GLY 19 N 1.36 0.65 3.14 0.07 0.00 -1.26 -4.53 105.19 104.62 1wki n GLY 19 Ca -0.04 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.84 2.99 -0.16 4.61 0.00 -1.26 -4.91 121.76 121.18 1wki s ALA 20 Ca 0.00 -2.19 0.16 0.00 0.00 0.00 0.00 51.96 49.94 1wki s ALA 20 Cb 0.00 -2.18 -0.23 0.00 0.00 0.00 0.00 23.12 20.71 1wki s ALA 20 CO 0.00 -1.56 0.10 0.25 0.00 0.00 0.00 175.76 174.56 1wki n THR 21 N 4.59 1.10 -4.17 0.00 -2.24 -1.26 -5.00 114.28 107.30 1wki n THR 21 Ca -0.07 -0.73 -0.17 0.00 -2.27 0.00 0.00 64.05 60.81 1wki n THR 21 Cb 0.42 -0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.53 0.82 0.00 -0.78 0.00 -1.26 -4.95 119.74 111.03 1wki s LYS 22 Ca -0.09 -0.99 0.00 0.00 0.00 0.00 0.00 55.97 54.89 1wki s LYS 22 Cb 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 37.83 37.14 1wki s LYS 22 CO 0.74 0.16 0.00 0.41 0.00 0.00 0.00 175.35 176.66 1wki n GLY 23 N 1.13 1.10 3.64 0.59 0.00 -1.26 -5.12 105.19 105.27 1wki n GLY 23 Ca -0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 1wki n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wki s GLY 24 N 0.00 -0.45 0.00 -0.02 0.00 -1.26 -5.12 107.32 100.47 1wki s GLY 24 Ca 0.00 2.64 -0.06 0.00 0.00 0.00 0.00 44.72 47.30 1wki s GLY 24 CO 0.00 2.50 0.25 0.99 0.00 0.00 0.00 173.10 176.84 1wki s ASP 25 N 1.60 6.48 -0.08 1.64 1.11 -1.18 -5.01 116.67 121.24 1wki s ASP 25 Ca -0.10 0.53 -0.03 0.00 0.18 0.00 0.00 52.55 53.13 1wki s ASP 25 Cb -0.05 -2.08 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 1wki s ASP 25 CO -0.18 0.26 -0.09 0.00 1.18 0.00 0.00 175.17 176.33 1wki n TYR 26 N 1.12 0.00 0.00 4.23 4.11 -1.26 -4.48 117.16 120.89 1wki n TYR 26 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 1wki n TYR 26 Cb 0.53 -0.28 0.00 0.00 -0.00 0.00 0.00 39.34 39.59 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1wki n VAL 27 N -3.23 0.00 0.00 -3.48 0.31 -1.26 -4.56 118.33 106.11 1wki n VAL 27 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1wki n VAL 27 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 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 -1.44 0.00 -2.21 3.52 0.00 -1.26 -4.75 120.51 114.37 1wki n ALA 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1wki n ALA 28 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 1.09 0.00 0.00 0.08 -1.26 -5.12 117.98 112.77 1wki s PHE 29 Ca 0.00 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 55.95 1wki s PHE 29 Cb 0.00 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.83 1wki s PHE 29 CO 0.00 -0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.20 1wki n GLY 30 N -0.19 -1.94 0.10 4.36 0.00 -1.26 -4.68 105.19 101.58 1wki n GLY 30 Ca -0.06 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 0.05 -1.62 1.61 3.32 -1.79 -3.39 116.42 114.61 1wki h ASP 31 Ca 0.00 -0.04 -0.63 0.00 0.02 0.00 0.00 57.03 56.38 1wki h ASP 31 Cb 0.00 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 39.40 1wki h ASP 31 CO 0.00 0.86 -0.59 -0.31 -1.72 0.00 0.00 179.24 177.47 1wki s TYR 32 N -3.15 2.46 -0.27 4.55 2.02 -0.59 0.11 117.35 122.48 1wki s TYR 32 Ca -0.01 -0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 55.84 1wki s TYR 32 Cb 0.11 -1.75 0.08 0.00 -0.40 0.00 0.00 41.96 39.99 1wki s TYR 32 CO 0.80 0.42 0.67 0.20 -1.57 0.00 0.00 175.55 176.07 1wki s GLY 33 N -3.72 -0.61 -0.40 0.71 0.00 0.34 -3.12 107.32 100.52 1wki s GLY 33 Ca 0.33 2.34 -0.21 0.00 0.00 0.00 0.00 44.72 47.18 1wki s GLY 33 CO 0.17 2.32 0.64 -2.27 0.00 0.00 0.00 173.10 173.96 1wki s LEU 34 N 1.56 4.36 -0.01 0.66 1.98 0.29 -1.81 118.68 125.71 1wki s LEU 34 Ca -0.09 -0.09 -0.02 0.00 -2.89 0.00 0.00 54.13 51.04 1wki s LEU 34 Cb -0.05 -2.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.00 1wki s LEU 34 CO -0.18 -0.69 0.15 0.54 -1.89 0.00 0.00 176.35 174.28 1wki s VAL 35 N 2.78 5.20 -0.34 1.68 0.11 -0.91 -1.11 120.40 127.79 1wki s VAL 35 Ca 0.24 -0.24 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 1wki s VAL 35 Cb -0.14 -3.41 -0.01 0.00 -1.53 0.00 0.00 36.38 31.29 1wki s VAL 35 CO 0.17 0.34 0.36 0.00 -3.33 0.00 0.00 175.10 172.64 1wki s ALA 36 N -1.27 3.50 -0.68 1.54 0.00 0.45 -2.04 121.76 123.25 1wki s ALA 36 Ca 0.25 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1wki s ALA 36 Cb -0.12 -2.82 0.36 0.00 0.00 0.00 0.00 23.12 20.54 1wki s ALA 36 CO 0.17 -1.08 1.05 1.28 0.00 0.00 0.00 175.76 177.18 1wki n LEU 37 N 5.37 3.08 -3.62 0.00 4.77 0.26 0.11 117.00 126.96 1wki n LEU 37 Ca -0.09 -1.56 -0.12 0.00 -0.03 0.00 0.00 56.01 54.21 1wki n LEU 37 Cb 0.49 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1wki n LEU 37 CO 0.40 0.42 0.58 -0.70 -1.33 0.00 0.00 177.39 176.76 1wki s GLU 38 N -1.77 0.70 0.28 3.23 2.12 -1.25 -4.70 118.70 117.30 1wki s GLU 38 Ca 0.24 0.70 -0.29 0.00 0.36 0.00 0.00 54.97 55.98 1wki s GLU 38 Cb 0.18 0.34 -0.10 0.00 0.26 0.00 0.00 34.13 34.81 1wki s GLU 38 CO 0.07 -0.11 1.34 -1.25 -0.54 0.00 0.00 175.26 174.77 1wki s PRO 39 N 0.07 4.35 0.19 4.30 0.04 -1.26 -4.49 135.00 138.20 1wki s PRO 39 Ca 0.00 2.19 -0.23 0.00 0.04 0.00 0.00 61.00 63.00 1wki s PRO 39 Cb -0.04 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.44 1wki s PRO 39 CO -0.01 -0.25 0.94 0.00 0.04 0.00 0.00 177.00 177.71 1wki s ALA 40 N -0.54 -1.54 -0.35 8.56 0.00 -1.18 -4.92 121.76 121.80 1wki s ALA 40 Ca 0.53 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 1wki s ALA 40 Cb -0.39 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.47 1wki s ALA 40 CO 0.46 -1.04 0.11 -1.58 0.00 0.00 0.00 175.76 173.71 1wki s TRP 41 N -3.10 3.33 -0.20 0.00 0.51 -1.26 -1.53 118.94 116.68 1wki s TRP 41 Ca 0.14 -1.74 -0.26 0.00 -2.12 0.00 0.00 56.10 52.12 1wki s TRP 41 Cb -0.02 -2.48 -0.01 0.00 -0.81 0.00 0.00 33.47 30.15 1wki s TRP 41 CO 0.04 -0.81 0.88 0.42 -0.51 0.00 0.00 176.95 176.97 1wki s ILE 42 N 1.32 4.82 0.90 2.03 -1.09 -1.03 -4.75 121.20 123.40 1wki s ILE 42 Ca -0.00 1.71 -0.14 0.00 -2.23 0.00 0.00 60.65 59.99 1wki s ILE 42 Cb -0.21 -4.17 0.14 0.00 -1.58 0.00 0.00 42.46 36.64 1wki s ILE 42 CO 0.00 -0.05 1.22 0.42 -1.23 0.00 0.00 174.94 175.31 1wki s THR 43 N 2.60 1.98 0.17 2.92 -4.23 -1.26 -0.81 115.64 117.01 1wki s THR 43 Ca 0.39 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 1wki s THR 43 Cb -0.16 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.81 1wki s THR 43 CO 0.10 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.95 1wki h ALA 44 N -1.40 0.73 -0.90 3.99 0.00 -1.97 -2.78 119.26 116.92 1wki h ALA 44 Ca -0.46 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1wki h ALA 44 Cb 1.29 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1wki h ALA 44 CO 0.54 0.27 0.59 1.96 0.00 0.00 0.00 179.25 182.61 1wki h GLN 45 N 0.77 1.16 -0.54 0.00 1.08 -1.95 -2.06 115.11 113.57 1wki h GLN 45 Ca 0.20 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1wki h GLN 45 Cb 0.07 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 1wki h GLN 45 CO -0.03 0.77 0.36 1.96 -0.95 0.00 0.00 178.83 180.94 1wki h GLN 46 N 1.19 0.60 -0.02 1.46 4.20 -1.86 2.59 115.11 123.27 1wki h GLN 46 Ca 0.34 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1wki h GLN 46 Cb -0.10 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1wki h GLN 46 CO -0.09 0.40 -0.04 0.82 -0.67 0.00 0.00 178.83 179.25 1wki h ILE 47 N 0.62 1.46 0.07 2.54 2.04 -1.31 -2.68 117.51 120.25 1wki h ILE 47 Ca 0.22 -1.43 -0.16 0.00 1.00 0.00 0.00 64.86 64.49 1wki h ILE 47 Cb 0.10 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1wki h ILE 47 CO -0.06 0.38 -0.79 -0.08 0.00 0.00 0.00 178.15 177.60 1wki h GLU 48 N -0.51 0.15 -0.49 2.37 4.57 -1.11 -3.12 114.58 116.45 1wki h GLU 48 Ca -0.00 -0.25 0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1wki h GLU 48 Cb 0.64 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.26 1wki h GLU 48 CO 0.01 1.12 0.14 0.00 -1.18 0.00 0.00 179.01 179.10 1wki h ALA 49 N -0.07 0.57 -0.54 2.92 0.00 0.43 -0.14 119.26 122.44 1wki h ALA 49 Ca -0.17 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1wki h ALA 49 Cb 1.43 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1wki h ALA 49 CO 0.02 -0.26 0.22 0.00 0.00 0.00 0.00 179.25 179.24 1wki h ALA 50 N 1.35 0.70 -0.87 0.00 0.00 -1.51 -2.66 119.26 116.26 1wki h ALA 50 Ca 0.24 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1wki h ALA 50 Cb 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1wki h ALA 50 CO -0.27 0.30 0.57 0.00 0.00 0.00 0.00 179.25 179.85 1wki h ARG 51 N 0.73 1.12 -0.92 0.00 3.08 -1.29 -0.82 114.38 116.27 1wki h ARG 51 Ca 0.18 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1wki h ARG 51 Cb 0.18 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1wki h ARG 51 CO -0.02 0.74 0.60 0.28 -1.07 0.00 0.00 179.97 180.51 1wki h VAL 52 N 1.15 1.19 -0.24 2.04 2.07 -0.75 0.32 116.25 122.03 1wki h VAL 52 Ca 0.33 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 1wki h VAL 52 Cb -0.08 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.56 1wki h VAL 52 CO -0.09 0.22 -0.49 0.00 0.02 0.00 0.00 177.57 177.23 1wki h ALA 53 N 1.36 0.69 -0.04 1.67 0.00 -1.07 -2.62 119.26 119.26 1wki h ALA 53 Ca 0.36 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1wki h ALA 53 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wki h ALA 53 CO -0.10 0.68 -0.07 0.52 0.00 0.00 0.00 179.25 180.28 1wki h MET 54 N 0.51 0.11 -0.79 0.00 2.07 -0.58 -2.13 114.93 114.12 1wki h MET 54 Ca 0.02 -0.07 0.08 0.00 -2.07 0.00 0.00 59.70 57.67 1wki h MET 54 Cb 1.04 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.73 1wki h MET 54 CO 0.10 0.64 0.52 0.28 1.07 0.00 0.00 176.91 179.51 1wki h VAL 55 N -0.40 0.99 0.00 -2.22 2.07 -0.43 -0.89 116.25 115.37 1wki h VAL 55 Ca 0.00 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 1wki h VAL 55 Cb 0.63 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1wki h VAL 55 CO 0.01 0.14 -0.72 0.03 0.02 0.00 0.00 177.57 177.06 1wki h ARG 56 N 0.79 0.00 0.30 1.57 3.08 -1.46 -3.30 114.38 115.35 1wki h ARG 56 Ca 0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1wki h ARG 56 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1wki h ARG 56 CO -0.13 0.72 -0.14 1.25 -1.07 0.00 0.00 179.97 180.60 1wki h HIS 57 N 0.00 -0.37 -1.30 3.04 2.76 -0.47 -3.42 115.15 115.40 1wki h HIS 57 Ca -0.01 -0.01 -0.63 0.00 -2.20 0.00 0.00 60.37 57.53 1wki h HIS 57 Cb 1.31 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 1wki h HIS 57 CO 0.00 -0.10 1.47 1.19 -1.30 0.00 0.00 177.93 179.19 1wki n PHE 58 N -5.17 1.63 -0.08 5.26 3.72 -0.98 -4.82 117.46 117.02 1wki n PHE 58 Ca -0.10 0.17 -0.07 0.00 -0.05 0.00 0.00 57.45 57.41 1wki n PHE 58 Cb 0.24 -2.58 0.11 0.00 -0.94 0.00 0.00 39.48 36.31 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 13.61 0.75 -1.03 -1.08 3.08 -1.89 -2.84 114.38 124.99 1wki h ARG 59 Ca -0.29 -0.28 -0.52 0.00 0.07 0.00 0.00 59.98 58.96 1wki h ARG 59 Cb 1.30 -0.05 -0.28 0.00 0.08 0.00 0.00 29.97 31.02 1wki h ARG 59 CO 1.03 0.88 0.66 0.54 -1.07 0.00 0.00 179.97 182.01 1wki n ARG 60 N -4.13 2.26 -0.43 0.04 1.74 -1.26 -5.04 116.66 109.83 1wki n ARG 60 Ca 0.01 -2.82 0.06 0.00 -0.77 0.00 0.00 57.85 54.33 1wki n ARG 60 Cb 0.40 -2.10 -0.01 0.00 -1.02 0.00 0.00 32.46 29.73 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 -0.91 -1.81 0.00 -0.13 0.00 -1.07 -4.98 105.19 96.28 1wki n GLY 61 Ca 0.55 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.54 3.63 3.24 -0.02 0.00 -1.26 -4.68 105.19 104.57 1wki n GLY 62 Ca 0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.35 1.71 -0.07 1.61 -2.85 -1.26 -4.91 119.74 111.62 1wki s LYS 63 Ca 0.00 -0.82 0.03 0.00 -1.00 0.00 0.00 55.97 54.18 1wki s LYS 63 Cb 0.00 -1.69 -0.02 0.00 -2.06 0.00 0.00 37.83 34.06 1wki s LYS 63 CO 0.00 0.46 -0.15 0.42 0.10 0.00 0.00 175.35 176.18 1wki s ILE 64 N -0.57 2.99 -0.39 3.79 1.01 -1.26 -3.14 121.20 123.63 1wki s ILE 64 Ca 0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 1wki s ILE 64 Cb -0.08 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1wki s ILE 64 CO -0.00 0.58 0.24 -0.36 0.00 0.00 0.00 174.94 175.40 1wki s PHE 65 N -0.49 3.25 -0.13 3.97 0.40 0.28 -4.92 117.98 120.34 1wki s PHE 65 Ca 0.06 -0.94 -0.14 0.00 -0.60 0.00 0.00 56.93 55.31 1wki s PHE 65 Cb -0.12 -2.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 1wki s PHE 65 CO 0.02 -0.67 0.32 0.42 0.70 0.00 0.00 175.22 176.01 1wki s ILE 66 N 1.57 5.27 -0.18 0.64 -1.09 -1.26 -2.41 121.20 123.74 1wki s ILE 66 Ca 0.03 0.62 0.13 0.00 -2.23 0.00 0.00 60.65 59.19 1wki s ILE 66 Cb -0.20 -3.65 0.41 0.00 -1.58 0.00 0.00 42.46 37.44 1wki s ILE 66 CO 0.07 0.42 1.21 0.54 -1.23 0.00 0.00 174.94 175.95 1wki n ARG 67 N 3.27 1.41 -4.53 2.79 1.74 -1.05 -5.01 116.66 115.27 1wki n ARG 67 Ca -0.12 -3.12 -0.22 0.00 -0.77 0.00 0.00 57.85 53.61 1wki n ARG 67 Cb 0.52 -1.45 -0.16 0.00 -1.02 0.00 0.00 32.46 30.36 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1wki s ILE 68 N -2.88 1.00 0.00 0.55 -4.36 -1.26 -4.98 121.20 109.27 1wki s ILE 68 Ca 0.37 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 60.30 1wki s ILE 68 Cb 0.36 -0.88 -0.00 0.00 1.25 0.00 0.00 42.46 43.19 1wki s ILE 68 CO -0.07 0.30 -0.02 0.12 0.24 0.00 0.00 174.94 175.51 1wki s PHE 69 N 0.23 0.15 -0.56 1.37 5.36 -1.26 -5.02 117.98 118.25 1wki s PHE 69 Ca -0.05 -0.07 -0.28 0.00 -0.96 0.00 0.00 56.93 55.57 1wki s PHE 69 Cb -0.10 -0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.49 1wki s PHE 69 CO 0.01 -0.02 1.37 -1.25 -1.46 0.00 0.00 175.22 173.88 1wki s PRO 70 N -0.17 3.35 -0.00 10.12 0.04 -1.26 -4.33 135.00 142.75 1wki s PRO 70 Ca -0.01 0.44 -0.00 0.00 0.04 0.00 0.00 61.00 61.47 1wki s PRO 70 Cb -0.01 -4.10 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 1wki s PRO 70 CO -0.00 -1.87 -0.00 -3.47 0.04 0.00 0.00 177.00 171.69 1wki n ASP 71 N 9.33 2.06 -4.77 6.66 -0.08 -0.90 -4.61 116.55 124.24 1wki n ASP 71 Ca 0.12 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.01 1wki n ASP 71 Cb 0.49 -0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.95 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1wki s LYS 72 N -2.00 3.86 0.50 -0.67 1.02 -1.13 -4.80 119.74 116.52 1wki s LYS 72 Ca -0.00 2.03 -0.20 0.00 0.02 0.00 0.00 55.97 57.82 1wki s LYS 72 Cb 0.00 -2.63 -0.08 0.00 -0.52 0.00 0.00 37.83 34.60 1wki s LYS 72 CO 0.00 -0.54 1.06 -1.25 -0.92 0.00 0.00 175.35 173.70 1wki s PRO 73 N -2.40 3.71 -0.86 -1.68 0.04 -1.26 -1.62 135.00 130.93 1wki s PRO 73 Ca 0.60 1.43 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1wki s PRO 73 Cb -0.35 -2.09 0.22 0.00 0.04 0.00 0.00 34.50 32.32 1wki s PRO 73 CO 0.44 -0.52 0.77 -0.47 0.04 0.00 0.00 177.00 177.26 1wki s TYR 74 N -1.92 3.83 -0.30 0.56 6.14 -0.84 -4.80 117.35 120.01 1wki s TYR 74 Ca 0.68 -2.64 0.03 0.00 0.64 0.00 0.00 57.07 55.78 1wki s TYR 74 Cb -0.18 -3.50 0.08 0.00 0.42 0.00 0.00 41.96 38.78 1wki s TYR 74 CO 0.22 -0.87 -0.02 0.95 0.64 0.00 0.00 175.55 176.47 1wki s THR 75 N -0.67 2.31 -1.20 4.34 -4.23 -1.26 -1.57 115.64 113.36 1wki s THR 75 Ca 0.23 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1wki s THR 75 Cb -0.12 -2.53 0.14 0.00 1.34 0.00 0.00 72.50 71.34 1wki s THR 75 CO -0.08 -0.32 1.47 -0.54 -0.54 0.00 0.00 174.62 174.61 1wki s LYS 76 N 1.02 4.02 -0.30 3.99 1.02 -1.26 -4.98 119.74 123.25 1wki s LYS 76 Ca 0.01 -2.36 -0.15 0.00 0.02 0.00 0.00 55.97 53.49 1wki s LYS 76 Cb -0.20 -5.16 -0.03 0.00 -0.52 0.00 0.00 37.83 31.93 1wki s LYS 76 CO -0.06 -1.88 0.37 0.15 -0.92 0.00 0.00 175.35 173.00 1wki s LYS 77 N 2.29 3.80 0.72 1.68 3.01 -1.26 -5.07 119.74 124.92 1wki s LYS 77 Ca 0.44 -0.18 -0.13 0.00 -1.01 0.00 0.00 55.97 55.09 1wki s LYS 77 Cb -0.01 -3.73 0.03 0.00 -1.01 0.00 0.00 37.83 33.11 1wki s LYS 77 CO 0.01 -0.39 1.11 -1.25 0.51 0.00 0.00 175.35 175.33 1wki s PRO 78 N 2.05 2.46 -0.27 -1.68 0.04 -1.26 -4.98 135.00 131.37 1wki s PRO 78 Ca 0.13 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1wki s PRO 78 Cb -0.16 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1wki s PRO 78 CO 0.11 -1.51 1.04 -1.17 0.04 0.00 0.00 177.00 175.51 1wki s LEU 79 N -5.41 4.03 -0.30 -3.56 0.20 -1.26 -4.98 118.68 107.40 1wki s LEU 79 Ca 0.65 1.21 -0.15 0.00 0.69 0.00 0.00 54.13 56.53 1wki s LEU 79 Cb -0.20 -3.52 0.16 0.00 -0.43 0.00 0.00 46.19 42.21 1wki s LEU 79 CO 0.49 -0.75 0.96 -0.70 -0.29 0.00 0.00 176.35 176.06 1wki s GLU 80 N 3.37 0.33 -0.66 1.98 2.12 -1.26 -5.11 118.70 119.46 1wki s GLU 80 Ca 0.44 0.77 -0.27 0.00 0.36 0.00 0.00 54.97 56.27 1wki s GLU 80 Cb -0.14 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.68 1wki s GLU 80 CO 0.10 -0.10 1.31 0.08 -0.54 0.00 0.00 175.26 176.11 1wki s VAL 81 N 2.27 3.78 0.01 3.70 1.01 -1.26 -4.92 120.40 125.00 1wki s VAL 81 Ca -0.04 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 1wki s VAL 81 Cb -0.06 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1wki s VAL 81 CO -0.17 -1.57 0.02 0.54 0.00 0.00 0.00 175.10 173.92 1wki n ARG 82 N 9.02 0.02 -2.44 2.72 5.12 -1.26 -5.15 116.66 124.69 1wki n ARG 82 Ca 0.07 -0.06 -0.37 0.00 -1.93 0.00 0.00 57.85 55.56 1wki n ARG 82 Cb 0.49 0.07 -0.03 0.00 -1.16 0.00 0.00 32.46 31.83 1wki n ARG 82 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1wki s MET 83 N -2.01 4.05 0.30 5.56 0.00 -1.26 -5.01 119.30 120.93 1wki s MET 83 Ca 0.01 1.62 -0.27 0.00 0.00 0.00 0.00 55.69 57.04 1wki s MET 83 Cb -0.00 -2.52 -0.09 0.00 0.00 0.00 0.00 34.83 32.21 1wki s MET 83 CO 0.00 -0.27 0.97 0.20 0.00 0.00 0.00 175.02 175.93 1wki s GLY 84 N -1.46 2.92 -0.16 2.11 0.00 -1.26 -4.96 107.32 104.51 1wki s GLY 84 Ca 0.59 0.61 0.16 0.00 0.00 0.00 0.00 44.72 46.08 1wki s GLY 84 CO 0.31 1.11 1.51 1.17 0.00 0.00 0.00 173.10 177.19 1wki n LYS 85 N 0.84 3.49 0.00 2.90 3.00 -1.26 -5.04 118.16 122.08 1wki n LYS 85 Ca 0.01 -2.83 0.00 0.00 -0.00 0.00 0.00 58.31 55.49 1wki n LYS 85 Cb 0.49 -1.88 0.00 0.00 0.00 0.00 0.00 35.03 33.63 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 0.09 0.93 1.15 3.14 0.00 -1.26 -4.56 105.19 104.68 1wki n GLY 86 Ca 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.00 1.61 -0.00 -1.26 -5.16 118.16 113.35 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 -0.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.91 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 0.15 0.39 3.29 2.58 0.00 -1.26 -4.91 105.19 105.43 1wki n GLY 88 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.00 2.82 0.20 1.61 3.84 -1.26 -5.14 114.94 113.01 1wki s ASN 89 Ca 0.00 -0.53 -0.12 0.00 0.21 0.00 0.00 52.86 52.42 1wki s ASN 89 Cb 0.00 -0.26 -0.07 0.00 -0.55 0.00 0.00 41.25 40.37 1wki s ASN 89 CO 0.00 0.23 0.56 0.54 -2.79 0.00 0.00 177.10 175.64 1wki s VAL 90 N -0.75 4.89 -0.54 -5.21 0.11 -1.26 -4.95 120.40 112.68 1wki s VAL 90 Ca 0.10 0.65 -0.02 0.00 -2.93 0.00 0.00 61.98 59.77 1wki s VAL 90 Cb -0.09 -3.67 0.28 0.00 -1.53 0.00 0.00 36.38 31.37 1wki s VAL 90 CO 0.01 0.06 2.18 -0.62 -3.33 0.00 0.00 175.10 173.40 1wki n GLU 91 N 0.25 2.35 0.00 1.54 -0.58 -0.61 -4.99 120.64 118.60 1wki n GLU 91 Ca -0.02 -2.57 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 1wki n GLU 91 Cb 0.52 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 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 -0.08 -1.77 3.36 0.62 0.00 -1.26 -4.71 105.19 101.34 1wki n GLY 92 Ca 0.48 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 2.25 0.32 1.61 2.02 -1.26 -1.99 117.35 120.29 1wki s TYR 93 Ca 0.00 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1wki s TYR 93 Cb 0.00 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 1wki s TYR 93 CO 0.00 0.23 0.14 0.14 -1.57 0.00 0.00 175.55 174.49 1wki s VAL 94 N -0.95 0.46 -0.30 0.71 -7.23 -0.64 -4.04 120.40 108.40 1wki s VAL 94 Ca 0.12 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 1wki s VAL 94 Cb -0.10 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 34.40 1wki s VAL 94 CO 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.82 1wki s ALA 95 N -3.52 2.53 0.22 1.32 0.00 0.01 -2.12 121.76 120.20 1wki s ALA 95 Ca 0.34 -2.05 -0.31 0.00 0.00 0.00 0.00 51.96 49.94 1wki s ALA 95 Cb 0.05 -1.74 -0.11 0.00 0.00 0.00 0.00 23.12 21.32 1wki s ALA 95 CO 0.17 -1.47 1.61 0.08 0.00 0.00 0.00 175.76 176.14 1wki s VAL 96 N 1.10 2.29 0.22 0.00 1.01 -1.26 -2.47 120.40 121.30 1wki s VAL 96 Ca 0.03 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1wki s VAL 96 Cb -0.19 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1wki s VAL 96 CO -0.09 0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.23 1wki s VAL 97 N 0.71 1.67 0.14 2.92 1.01 -0.58 -4.99 120.40 121.29 1wki s VAL 97 Ca 0.68 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 60.54 1wki s VAL 97 Cb -0.46 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1wki s VAL 97 CO 0.37 -0.52 -0.11 -0.75 0.00 0.00 0.00 175.10 174.09 1wki s LYS 98 N -3.68 1.06 -0.12 2.72 2.20 -1.26 -3.10 119.74 117.56 1wki s LYS 98 Ca 0.24 -1.39 -0.35 0.00 -0.36 0.00 0.00 55.97 54.11 1wki s LYS 98 Cb 0.01 -0.73 -0.12 0.00 -1.51 0.00 0.00 37.83 35.47 1wki s LYS 98 CO 0.08 0.11 1.86 -2.30 -0.36 0.00 0.00 175.35 174.74 1wki n PRO 99 N 0.02 2.01 -0.30 4.03 -0.02 -1.24 -2.20 135.00 137.30 1wki n PRO 99 Ca -0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1wki n PRO 99 Cb 0.59 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 4.37 1.68 3.29 -1.23 0.00 0.29 -4.92 105.19 108.67 1wki n GLY 100 Ca 0.23 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.37 3.18 -0.65 1.61 6.06 -0.94 -3.07 118.95 123.77 1wki s ARG 101 Ca 0.00 -0.76 -0.24 0.00 -2.50 0.00 0.00 55.73 52.22 1wki s ARG 101 Cb 0.00 -3.09 0.05 0.00 0.06 0.00 0.00 34.95 31.97 1wki s ARG 101 CO 0.00 -0.30 1.05 0.08 -2.50 0.00 0.00 175.30 173.63 1wki s VAL 102 N 1.45 4.17 -0.12 7.11 1.01 -1.26 -0.42 120.40 132.34 1wki s VAL 102 Ca 0.04 0.05 0.17 0.00 0.00 0.00 0.00 61.98 62.24 1wki s VAL 102 Cb -0.15 -4.71 -0.17 0.00 0.00 0.00 0.00 36.38 31.34 1wki s VAL 102 CO -0.02 -1.48 0.71 1.15 0.00 0.00 0.00 175.10 175.47 1wki n MET 103 N 8.12 0.63 -4.31 2.72 0.00 -0.27 -4.78 117.12 119.23 1wki n MET 103 Ca -0.00 0.19 -0.24 0.00 0.00 0.00 0.00 57.70 57.65 1wki n MET 103 Cb 0.47 -1.76 -0.12 0.00 0.00 0.00 0.00 33.22 31.80 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 -2.88 1.86 -0.20 3.17 0.40 -1.19 -2.54 117.98 116.61 1wki s PHE 104 Ca -0.04 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 1wki s PHE 104 Cb 0.09 -0.99 0.07 0.00 0.51 0.00 0.00 43.02 42.69 1wki s PHE 104 CO 0.82 0.26 0.48 -1.21 0.70 0.00 0.00 175.22 176.27 1wki s GLU 105 N -2.16 0.46 0.14 0.44 8.01 -1.01 0.11 118.70 124.68 1wki s GLU 105 Ca 0.10 0.92 0.11 0.00 0.01 0.00 0.00 54.97 56.10 1wki s GLU 105 Cb -0.09 0.05 -0.04 0.00 -4.31 0.00 0.00 34.13 29.74 1wki s GLU 105 CO 0.05 -0.16 -0.25 0.14 0.01 0.00 0.00 175.26 175.05 1wki s VAL 106 N 1.56 2.36 -0.08 2.63 -7.23 -1.18 0.10 120.40 118.56 1wki s VAL 106 Ca -0.09 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1wki s VAL 106 Cb -0.08 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.82 1wki s VAL 106 CO -0.15 0.07 0.21 0.00 -0.31 0.00 0.00 175.10 174.92 1wki s ALA 107 N -1.14 -0.51 0.00 1.32 0.00 -1.19 -1.55 121.76 118.70 1wki s ALA 107 Ca 0.15 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1wki s ALA 107 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1wki s ALA 107 CO 0.07 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1wki n GLY 108 N 3.07 2.98 3.83 0.00 0.00 -1.26 -4.11 105.19 109.70 1wki n GLY 108 Ca -0.14 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.84 4.22 1.10 1.61 -7.23 -1.26 -5.05 120.40 111.95 1wki s VAL 109 Ca 0.00 0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 61.00 1wki s VAL 109 Cb 0.00 -3.57 0.24 0.00 0.56 0.00 0.00 36.38 33.61 1wki s VAL 109 CO 0.00 -0.70 1.07 0.42 -0.31 0.00 0.00 175.10 175.58 1wki s THR 110 N -2.68 1.92 0.18 5.32 -4.23 -1.26 -4.67 115.64 110.22 1wki s THR 110 Ca 0.60 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.01 1wki s THR 110 Cb -0.13 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.43 1wki s THR 110 CO 0.39 0.00 1.65 -0.08 -0.54 0.00 0.00 174.62 176.05 1wki h GLU 111 N -2.29 1.03 -0.42 3.99 4.81 -1.97 0.38 114.58 120.12 1wki h GLU 111 Ca -0.56 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.33 1wki h GLU 111 Cb 1.33 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1wki h GLU 111 CO 0.52 0.99 0.09 0.93 -0.73 0.00 0.00 179.01 180.81 1wki h GLU 112 N 0.94 0.67 -0.04 1.92 4.39 -1.98 0.45 114.58 120.92 1wki h GLU 112 Ca 0.18 -0.17 -0.23 0.00 0.34 0.00 0.00 59.36 59.48 1wki h GLU 112 Cb 0.48 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1wki h GLU 112 CO 0.02 0.70 -0.91 1.96 -1.16 0.00 0.00 179.01 179.61 1wki h GLN 113 N 0.54 0.58 -0.05 2.33 1.08 -1.90 -2.28 115.11 115.41 1wki h GLN 113 Ca 0.13 -0.57 -0.03 0.00 -1.45 0.00 0.00 58.65 56.73 1wki h GLN 113 Cb 0.33 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1wki h GLN 113 CO 0.00 1.19 -0.10 0.00 -0.95 0.00 0.00 178.83 178.98 1wki h ALA 114 N 0.63 0.08 -0.26 3.87 0.00 -0.17 0.17 119.26 123.57 1wki h ALA 114 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1wki h ALA 114 Cb 1.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1wki h ALA 114 CO 0.17 -0.06 0.13 0.52 0.00 0.00 0.00 179.25 180.01 1wki h MET 115 N -0.34 0.37 -0.10 0.00 2.86 -0.21 0.81 114.93 118.33 1wki h MET 115 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1wki h MET 115 Cb 0.66 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1wki h MET 115 CO 0.02 0.35 0.01 1.49 1.06 0.00 0.00 176.91 179.85 1wki h GLU 116 N 0.30 0.16 -0.25 1.72 4.81 -1.48 -1.39 114.58 118.45 1wki h GLU 116 Ca 0.09 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1wki h GLU 116 Cb 0.10 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1wki h GLU 116 CO -0.01 0.37 0.04 0.00 -0.73 0.00 0.00 179.01 178.68 1wki h ALA 117 N 0.78 0.25 -0.08 2.92 0.00 -0.86 0.24 119.26 122.52 1wki h ALA 117 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wki h ALA 117 Cb 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wki h ALA 117 CO 0.00 -0.38 -0.00 -0.07 0.00 0.00 0.00 179.25 178.80 1wki h LEU 118 N 0.13 0.09 -0.08 0.00 4.07 -0.79 -2.11 115.31 116.62 1wki h LEU 118 Ca 0.11 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.85 1wki h LEU 118 Cb 0.12 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.85 1wki h LEU 118 CO -0.16 0.12 -0.81 0.03 -1.08 0.00 0.00 178.44 176.54 1wki h ARG 119 N 0.11 0.70 -0.95 1.13 3.08 -0.01 -3.15 114.38 115.28 1wki h ARG 119 Ca 0.03 -0.64 0.12 0.00 0.07 0.00 0.00 59.98 59.55 1wki h ARG 119 Cb 0.08 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 1wki h ARG 119 CO 0.00 1.24 0.61 0.82 -1.07 0.00 0.00 179.97 181.57 1wki h ILE 120 N 0.38 0.92 -0.36 2.04 2.04 0.09 0.22 117.51 122.84 1wki h ILE 120 Ca -0.08 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1wki h ILE 120 Cb 1.46 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1wki h ILE 120 CO 0.16 0.17 0.15 0.00 0.00 0.00 0.00 178.15 178.63 1wki h ALA 121 N 1.55 0.47 0.00 1.87 0.00 -1.50 -2.54 119.26 119.12 1wki h ALA 121 Ca 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1wki h ALA 121 Cb 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wki h ALA 121 CO -0.22 0.07 -0.15 0.78 0.00 0.00 0.00 179.25 179.72 1wki h GLY 122 N 0.44 0.00 0.89 0.00 0.00 -1.19 -3.10 103.07 100.11 1wki h GLY 122 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1wki h GLY 122 CO -0.01 0.00 0.63 0.45 0.00 0.00 0.00 176.54 177.61 1wki h HIS 123 N 0.00 1.19 -0.04 5.60 -0.00 -0.18 -0.55 115.15 121.18 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1wki h HIS 123 Cb 0.73 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1wki h HIS 123 CO 0.00 0.69 0.00 0.36 -0.00 0.00 0.00 177.93 178.98 1wki n LYS 124 N -4.46 1.60 -2.71 2.45 2.85 -1.17 -4.90 118.16 111.82 1wki n LYS 124 Ca 0.13 -0.88 -0.31 0.00 -1.05 0.00 0.00 58.31 56.20 1wki n LYS 124 Cb 0.08 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 32.97 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 -1.92 3.76 -0.11 -5.58 1.43 -0.21 -4.97 118.68 111.07 1wki s LEU 125 Ca 0.38 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 1wki s LEU 125 Cb 0.20 -4.15 0.36 0.00 0.03 0.00 0.00 46.19 42.63 1wki s LEU 125 CO 0.32 -0.46 1.07 -0.81 0.23 0.00 0.00 176.35 176.70 1wki n PRO 126 N -1.43 2.66 -3.87 1.29 -0.04 -1.26 -4.88 135.00 127.46 1wki n PRO 126 Ca 0.03 -1.38 -0.09 0.00 -0.04 0.00 0.00 63.50 62.02 1wki n PRO 126 Cb 0.54 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.76 0.05 0.34 0.52 -5.25 -1.26 -4.94 121.20 108.89 1wki s ILE 127 Ca 0.24 -1.14 -0.26 0.00 -0.99 0.00 0.00 60.65 58.50 1wki s ILE 127 Cb 0.18 -1.73 -0.09 0.00 2.95 0.00 0.00 42.46 43.77 1wki s ILE 127 CO 0.07 -0.23 1.03 -0.75 -1.79 0.00 0.00 174.94 173.27 1wki s LYS 128 N -3.93 4.44 -0.01 0.37 2.47 -1.26 -4.91 119.74 116.91 1wki s LYS 128 Ca 0.14 1.55 -0.12 0.00 -1.56 0.00 0.00 55.97 55.98 1wki s LYS 128 Cb 0.02 -2.83 0.02 0.00 -1.46 0.00 0.00 37.83 33.57 1wki s LYS 128 CO -0.01 0.10 0.25 0.95 0.16 0.00 0.00 175.35 176.79 1wki s THR 129 N -1.48 0.07 0.14 3.43 -4.23 -1.26 0.90 115.64 113.22 1wki s THR 129 Ca 0.51 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 1wki s THR 129 Cb -0.24 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 1wki s THR 129 CO 0.31 -0.30 -0.06 -1.59 -0.54 0.00 0.00 174.62 172.45 1wki s LYS 130 N -1.31 1.02 -0.00 3.99 -2.85 -0.87 -4.95 119.74 114.77 1wki s LYS 130 Ca -0.14 -1.45 -0.17 0.00 -1.00 0.00 0.00 55.97 53.21 1wki s LYS 130 Cb -0.06 -0.40 -0.06 0.00 -2.06 0.00 0.00 37.83 35.25 1wki s LYS 130 CO 0.03 -0.02 0.47 0.42 0.10 0.00 0.00 175.35 176.35 1wki s ILE 131 N -3.51 4.98 -0.07 3.79 -1.09 -1.26 -2.14 121.20 121.89 1wki s ILE 131 Ca 0.18 0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 59.46 1wki s ILE 131 Cb 0.05 -3.79 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1wki s ILE 131 CO 0.00 0.52 0.28 0.68 -1.23 0.00 0.00 174.94 175.20 1wki s VAL 132 N -0.76 0.02 0.74 2.92 -7.23 -0.75 -4.97 120.40 110.37 1wki s VAL 132 Ca 0.26 -0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.12 1wki s VAL 132 Cb -0.17 -0.47 0.04 0.00 0.56 0.00 0.00 36.38 36.34 1wki s VAL 132 CO 0.14 -0.10 1.11 -0.60 -0.31 0.00 0.00 175.10 175.34 1wki s ARG 133 N -0.37 2.57 -0.92 4.82 3.52 -1.25 0.13 118.95 127.43 1wki s ARG 133 Ca -0.05 0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 55.83 1wki s ARG 133 Cb -0.03 -1.99 -0.27 0.00 -1.56 0.00 0.00 34.95 31.10 1wki s ARG 133 CO 0.02 -1.24 2.25 -2.13 -0.81 0.00 0.00 175.30 173.39 1wki n ARG 134 N -3.14 0.21 -3.11 5.12 0.63 0.31 0.34 116.66 117.02 1wki n ARG 134 Ca 0.07 -0.32 -0.14 0.00 -0.92 0.00 0.00 57.85 56.54 1wki n ARG 134 Cb 0.58 -2.00 0.06 0.00 0.45 0.00 0.00 32.46 31.54 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 10.44 -3.74 -4.07 6.15 -0.08 -1.26 -5.00 116.55 118.99 1wki n ASP 135 Ca 0.60 -0.38 -0.35 0.00 -1.51 0.00 0.00 54.79 53.16 1wki n ASP 135 Cb 0.25 -3.53 -0.11 0.00 2.34 0.00 0.00 41.12 40.06 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wki s ALA 136 N -3.22 3.33 -0.26 -1.67 0.00 0.15 -5.05 121.76 115.04 1wki s ALA 136 Ca 0.23 -2.95 0.01 0.00 0.00 0.00 0.00 51.96 49.24 1wki s ALA 136 Cb -0.10 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.66 1wki s ALA 136 CO 0.48 -1.95 -0.00 0.71 0.00 0.00 0.00 175.76 175.00 1wki s TYR 137 N 0.39 2.34 0.06 0.00 1.51 -1.26 -3.89 117.35 116.50 1wki s TYR 137 Ca 0.13 -1.85 -0.02 0.00 -1.01 0.00 0.00 57.07 54.33 1wki s TYR 137 Cb -0.22 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1wki s TYR 137 CO -0.04 -0.80 0.25 0.34 -1.11 0.00 0.00 175.55 174.19 1wki s ASP 138 N 1.41 6.40 -0.11 2.29 -1.08 -1.26 -5.05 116.67 119.27 1wki s ASP 138 Ca -0.00 0.38 -0.29 0.00 -0.52 0.00 0.00 52.55 52.11 1wki s ASP 138 Cb -0.18 -2.01 -0.03 0.00 -1.46 0.00 0.00 42.92 39.24 1wki s ASP 138 CO -0.10 0.17 1.41 -1.61 0.52 0.00 0.00 175.17 175.55 1wki s GLU 139 N -2.39 4.22 -0.47 4.34 2.02 -1.26 -4.98 118.70 120.18 1wki s GLU 139 Ca 0.34 1.87 -0.07 0.00 0.02 0.00 0.00 54.97 57.14 1wki s GLU 139 Cb -0.13 -3.81 0.12 0.00 0.10 0.00 0.00 34.13 30.41 1wki s GLU 139 CO 0.25 -0.73 0.32 0.00 0.02 0.00 0.00 175.26 175.11 1wki s ALA 140 N 3.53 3.35 -0.12 5.21 0.00 -1.26 -5.37 121.76 127.10 1wki s ALA 140 Ca 0.62 -2.63 0.01 0.00 0.00 0.00 0.00 51.96 49.96 1wki s ALA 140 Cb -0.27 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.17 1wki s ALA 140 CO 0.21 -1.90 0.53 1.04 0.00 0.00 0.00 175.76 175.64