#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 2.90 -0.31 -0.89 1.02 -1.26 -5.08 118.68 115.06 1wki s LEU 2 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.07 1wki s LEU 2 Cb 0.00 -2.21 0.09 0.00 0.02 0.00 0.00 46.19 44.09 1wki s LEU 2 CO 0.00 -2.04 0.03 -0.04 0.02 0.00 0.00 176.35 174.32 1wki s MET 3 N -5.34 1.42 0.74 1.70 -1.94 -1.26 -5.12 119.30 109.50 1wki s MET 3 Ca 0.67 -1.56 -0.10 0.00 -1.71 0.00 0.00 55.69 53.00 1wki s MET 3 Cb -0.06 -2.85 0.16 0.00 2.01 0.00 0.00 34.83 34.09 1wki s MET 3 CO 0.46 -0.87 0.35 -2.30 -0.01 0.00 0.00 175.02 172.65 1wki n PRO 4 N 4.44 -1.51 -2.12 2.03 -0.02 -1.26 -4.80 135.00 131.76 1wki n PRO 4 Ca -0.01 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 1wki n PRO 4 Cb 0.42 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 1wki n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wki n ARG 5 N -1.85 -4.75 -4.59 -0.52 1.74 -1.26 -5.07 116.66 100.36 1wki n ARG 5 Ca 0.06 3.47 -0.27 0.00 -0.77 0.00 0.00 57.85 60.34 1wki n ARG 5 Cb 0.24 -4.15 -0.11 0.00 -1.02 0.00 0.00 32.46 27.42 1wki n ARG 5 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1wki s ARG 6 N -0.81 1.91 0.52 5.56 6.06 -1.26 -5.16 118.95 125.77 1wki s ARG 6 Ca 0.00 -2.09 0.06 0.00 -2.50 0.00 0.00 55.73 51.20 1wki s ARG 6 Cb 0.00 -1.47 0.04 0.00 0.06 0.00 0.00 34.95 33.59 1wki s ARG 6 CO 0.00 -0.10 0.71 -1.64 -2.50 0.00 0.00 175.30 171.77 1wki s MET 7 N -3.76 2.52 0.64 5.12 -1.94 -1.26 -5.00 119.30 115.63 1wki s MET 7 Ca 0.33 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1wki s MET 7 Cb 0.09 -2.62 0.00 0.00 2.01 0.00 0.00 34.83 34.31 1wki s MET 7 CO 0.17 -0.63 0.00 1.63 -0.01 0.00 0.00 175.02 176.17 1wki n LYS 8 N -2.16 -3.66 -2.73 2.03 4.76 -1.26 -4.77 118.16 110.37 1wki n LYS 8 Ca 0.10 2.95 -0.42 0.00 -2.87 0.00 0.00 58.31 58.08 1wki n LYS 8 Cb 0.60 -4.06 -0.03 0.00 -1.84 0.00 0.00 35.03 29.70 1wki n LYS 8 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1wki s TYR 9 N -4.64 3.58 0.14 2.13 5.04 -1.26 -5.05 117.35 117.29 1wki s TYR 9 Ca 0.00 1.60 0.07 0.00 -2.44 0.00 0.00 57.07 56.31 1wki s TYR 9 Cb 0.00 -3.12 -0.04 0.00 0.35 0.00 0.00 41.96 39.15 1wki s TYR 9 CO 0.00 -0.10 -0.05 0.50 -1.34 0.00 0.00 175.55 174.56 1wki s ARG 10 N 1.46 2.26 0.54 4.97 3.52 -1.26 -5.01 118.95 125.43 1wki s ARG 10 Ca 0.49 -1.08 0.29 0.00 -0.13 0.00 0.00 55.73 55.30 1wki s ARG 10 Cb -0.19 -2.32 1.52 0.00 -1.56 0.00 0.00 34.95 32.39 1wki s ARG 10 CO 0.22 0.48 2.09 -0.22 -0.81 0.00 0.00 175.30 177.06 1wki h LYS 11 N 3.12 0.00 -6.61 5.12 1.63 -2.02 -3.43 116.57 114.39 1wki h LYS 11 Ca -0.48 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 58.80 1wki h LYS 11 Cb 1.19 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.86 1wki h LYS 11 CO 0.56 0.10 0.89 -1.14 -3.45 0.00 0.00 179.45 176.41 1wki s GLN 12 N -4.18 4.21 -0.01 1.90 0.74 -1.26 -5.01 119.66 116.05 1wki s GLN 12 Ca -0.03 2.38 0.04 0.00 0.05 0.00 0.00 55.36 57.80 1wki s GLN 12 Cb 0.13 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 1wki s GLN 12 CO 0.57 -0.62 -0.10 -0.65 -0.55 0.00 0.00 175.29 173.93 1wki s GLN 13 N 1.19 2.49 -0.24 1.67 -0.21 -1.26 -5.03 119.66 118.25 1wki s GLN 13 Ca 0.71 -0.74 -0.07 0.00 0.02 0.00 0.00 55.36 55.28 1wki s GLN 13 Cb -0.44 -2.43 -0.17 0.00 1.00 0.00 0.00 33.01 30.97 1wki s GLN 13 CO 0.31 0.61 -0.16 0.54 -2.12 0.00 0.00 175.29 174.47 1wki n ARG 14 N 1.82 0.63 -3.60 2.91 5.12 -1.26 -5.07 116.66 117.22 1wki n ARG 14 Ca -0.16 0.25 -0.05 0.00 -1.93 0.00 0.00 57.85 55.95 1wki n ARG 14 Cb 0.52 -1.56 -0.03 0.00 -1.16 0.00 0.00 32.46 30.24 1wki n ARG 14 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1wki s GLY 15 N -5.86 -0.20 0.64 -0.13 0.00 -1.26 -5.16 107.32 95.35 1wki s GLY 15 Ca -0.34 1.97 0.00 0.00 0.00 0.00 0.00 44.72 46.35 1wki s GLY 15 CO 0.58 0.78 0.00 -2.13 0.00 0.00 0.00 173.10 172.33 1wki n ARG 16 N 0.24 -3.43 -3.39 2.90 3.00 -1.26 -5.00 116.66 109.72 1wki n ARG 16 Ca -0.03 2.81 -0.22 0.00 -0.00 0.00 0.00 57.85 60.42 1wki n ARG 16 Cb 0.59 -4.00 0.01 0.00 0.00 0.00 0.00 32.46 29.05 1wki n ARG 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1wki n LEU 17 N -4.40 0.00 -1.84 6.15 7.99 -1.26 -5.02 117.00 118.61 1wki n LEU 17 Ca -0.10 -2.40 -0.03 0.00 -0.01 0.00 0.00 56.01 53.47 1wki n LEU 17 Cb 0.70 -0.07 0.29 0.00 -0.11 0.00 0.00 43.42 44.23 1wki n LEU 17 CO 0.04 -0.55 0.93 2.29 -1.51 0.00 0.00 177.39 178.59 1wki n LYS 18 N -1.65 3.60 -3.20 3.23 2.85 -1.26 -4.63 118.16 117.10 1wki n LYS 18 Ca -0.00 -2.71 -0.32 0.00 -1.05 0.00 0.00 58.31 54.24 1wki n LYS 18 Cb 0.53 -2.12 -0.05 0.00 -0.65 0.00 0.00 35.03 32.74 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wki n GLY 19 N 0.03 5.11 3.54 2.58 0.00 -1.26 -5.04 105.19 110.14 1wki n GLY 19 Ca 0.34 -2.74 -0.27 0.00 0.00 0.00 0.00 46.02 43.35 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 -2.83 2.85 0.10 4.61 0.00 -1.26 -5.04 121.76 120.19 1wki s ALA 20 Ca 0.39 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1wki s ALA 20 Cb 0.15 -0.67 -0.23 0.00 0.00 0.00 0.00 23.12 22.36 1wki s ALA 20 CO -0.01 0.48 1.20 1.79 0.00 0.00 0.00 175.76 179.23 1wki h THR 21 N 2.94 1.60 -3.30 0.00 1.35 -2.01 -3.42 112.91 110.07 1wki h THR 21 Ca -0.47 -3.28 -0.58 0.00 -0.55 0.00 0.00 66.41 61.53 1wki h THR 21 Cb 1.20 2.85 -0.40 0.00 -1.73 0.00 0.00 68.15 70.08 1wki h THR 21 CO 0.52 0.93 -0.76 -0.54 -0.25 0.00 0.00 175.52 175.42 1wki s LYS 22 N -2.69 0.91 0.02 4.72 -0.14 -1.26 -5.12 119.74 116.19 1wki s LYS 22 Ca -0.01 -0.98 0.01 0.00 -1.36 0.00 0.00 55.97 53.62 1wki s LYS 22 Cb 0.09 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 1wki s LYS 22 CO 0.84 -0.85 -0.04 0.20 -0.76 0.00 0.00 175.35 174.74 1wki s GLY 23 N 1.58 0.28 0.64 -3.33 0.00 -1.26 -5.17 107.32 100.06 1wki s GLY 23 Ca 0.05 -0.54 0.07 0.00 0.00 0.00 0.00 44.72 44.29 1wki s GLY 23 CO -0.17 -0.60 0.88 -0.32 0.00 0.00 0.00 173.10 172.90 1wki s GLY 24 N -1.24 1.71 0.24 0.20 0.00 -1.26 -5.02 107.32 101.94 1wki s GLY 24 Ca -0.12 -2.10 0.21 0.00 0.00 0.00 0.00 44.72 42.71 1wki s GLY 24 CO -0.00 -1.57 1.16 -0.55 0.00 0.00 0.00 173.10 172.14 1wki h ASP 25 N -0.11 0.00 0.00 1.64 5.19 -1.96 -3.49 116.42 117.69 1wki h ASP 25 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1wki h ASP 25 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1wki h ASP 25 CO 0.39 0.13 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 1wki n TYR 26 N -2.84 0.00 -3.57 4.55 9.36 -1.26 -4.58 117.16 118.81 1wki n TYR 26 Ca -0.01 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.20 1wki n TYR 26 Cb 0.61 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.26 1wki n TYR 26 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1wki s VAL 27 N 0.00 -0.18 0.00 2.97 1.01 -1.26 -4.54 120.40 118.40 1wki s VAL 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wki s VAL 27 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1wki s VAL 27 CO 0.00 0.00 0.98 0.00 0.00 0.00 0.00 175.10 176.08 1wki n ALA 28 N 4.16 -0.25 0.00 5.51 0.00 -1.26 -4.88 120.51 123.78 1wki n ALA 28 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wki n ALA 28 Cb 0.56 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1wki n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wki n PHE 29 N -2.42 -1.70 -1.03 0.00 3.72 -1.26 -5.02 117.46 109.75 1wki n PHE 29 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 1wki n PHE 29 Cb 0.00 0.37 0.09 0.00 -0.94 0.00 0.00 39.48 39.00 1wki n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wki n GLY 30 N -1.29 -1.95 0.37 1.37 0.00 -1.26 -4.85 105.19 97.58 1wki n GLY 30 Ca 0.00 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.97 0.66 -1.44 1.61 3.32 -0.49 -3.42 116.42 115.69 1wki h ASP 31 Ca -0.44 0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.08 1wki h ASP 31 Cb 1.31 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1wki h ASP 31 CO 0.37 0.36 -0.46 -0.31 -1.72 0.00 0.00 179.24 177.48 1wki s TYR 32 N -5.68 2.51 -0.20 4.55 2.02 -0.63 0.12 117.35 120.04 1wki s TYR 32 Ca -0.10 -0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 55.89 1wki s TYR 32 Cb 0.21 -1.99 0.07 0.00 -0.40 0.00 0.00 41.96 39.86 1wki s TYR 32 CO 0.78 0.07 0.48 0.20 -1.57 0.00 0.00 175.55 175.51 1wki s GLY 33 N -3.98 -0.41 -0.40 0.71 0.00 0.37 -3.11 107.32 100.50 1wki s GLY 33 Ca 0.41 1.75 -0.21 0.00 0.00 0.00 0.00 44.72 46.67 1wki s GLY 33 CO 0.23 2.02 0.64 -2.27 0.00 0.00 0.00 173.10 173.72 1wki s LEU 34 N 1.72 4.36 -0.01 0.66 1.98 0.37 -1.07 118.68 126.69 1wki s LEU 34 Ca -0.08 -0.09 -0.02 0.00 -2.89 0.00 0.00 54.13 51.05 1wki s LEU 34 Cb -0.08 -2.77 -0.04 0.00 0.66 0.00 0.00 46.19 43.96 1wki s LEU 34 CO -0.15 -0.69 0.14 0.54 -1.89 0.00 0.00 176.35 174.30 1wki s VAL 35 N 2.79 5.16 -0.34 1.68 0.11 -0.83 -0.86 120.40 128.10 1wki s VAL 35 Ca 0.24 -0.24 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 1wki s VAL 35 Cb -0.14 -3.39 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 1wki s VAL 35 CO 0.17 0.35 0.36 0.00 -3.33 0.00 0.00 175.10 172.64 1wki s ALA 36 N -1.26 3.50 -0.61 1.54 0.00 -0.03 -2.06 121.76 122.84 1wki s ALA 36 Ca 0.25 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 51.09 1wki s ALA 36 Cb -0.12 -2.81 0.42 0.00 0.00 0.00 0.00 23.12 20.61 1wki s ALA 36 CO 0.16 -1.04 1.14 1.28 0.00 0.00 0.00 175.76 177.30 1wki n LEU 37 N 5.37 3.43 -3.63 0.00 4.77 0.29 0.12 117.00 127.35 1wki n LEU 37 Ca -0.09 -1.74 -0.11 0.00 -0.03 0.00 0.00 56.01 54.04 1wki n LEU 37 Cb 0.49 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1wki n LEU 37 CO 0.40 0.44 0.58 -0.70 -1.33 0.00 0.00 177.39 176.78 1wki s GLU 38 N -1.90 0.66 0.21 3.23 2.12 -1.25 -4.69 118.70 117.08 1wki s GLU 38 Ca 0.28 0.81 -0.31 0.00 0.36 0.00 0.00 54.97 56.11 1wki s GLU 38 Cb 0.21 0.31 -0.11 0.00 0.26 0.00 0.00 34.13 34.81 1wki s GLU 38 CO 0.08 -0.08 1.57 -1.25 -0.54 0.00 0.00 175.26 175.04 1wki s PRO 39 N 0.38 4.20 0.28 4.30 0.04 -1.26 -4.51 135.00 138.43 1wki s PRO 39 Ca 0.01 2.42 -0.21 0.00 0.04 0.00 0.00 61.00 63.26 1wki s PRO 39 Cb -0.05 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1wki s PRO 39 CO -0.04 -0.60 0.76 0.00 0.04 0.00 0.00 177.00 177.16 1wki s ALA 40 N 0.77 -1.22 -0.22 8.56 0.00 -1.17 -4.94 121.76 123.54 1wki s ALA 40 Ca 0.68 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1wki s ALA 40 Cb -0.45 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1wki s ALA 40 CO 0.36 -1.04 -0.01 -1.58 0.00 0.00 0.00 175.76 173.50 1wki s TRP 41 N -3.65 3.01 -0.34 0.00 0.51 -1.26 -1.65 118.94 115.56 1wki s TRP 41 Ca 0.12 -0.66 -0.12 0.00 -2.12 0.00 0.00 56.10 53.32 1wki s TRP 41 Cb -0.05 -2.12 -0.02 0.00 -0.81 0.00 0.00 33.47 30.47 1wki s TRP 41 CO 0.07 -0.39 0.23 0.42 -0.51 0.00 0.00 176.95 176.76 1wki s ILE 42 N 1.32 5.18 0.98 2.03 -1.09 -1.03 -4.79 121.20 123.78 1wki s ILE 42 Ca 0.04 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.05 1wki s ILE 42 Cb -0.15 -3.66 0.20 0.00 -1.58 0.00 0.00 42.46 37.27 1wki s ILE 42 CO 0.00 -0.00 1.29 0.42 -1.23 0.00 0.00 174.94 175.42 1wki s THR 43 N 1.70 1.96 0.18 2.92 -4.23 -1.26 -0.01 115.64 116.90 1wki s THR 43 Ca 0.06 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 1wki s THR 43 Cb -0.17 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.82 1wki s THR 43 CO 0.10 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.93 1wki h ALA 44 N -1.70 0.82 -0.74 3.99 0.00 -1.98 -2.89 119.26 116.76 1wki h ALA 44 Ca -0.45 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1wki h ALA 44 Cb 1.25 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1wki h ALA 44 CO 0.40 0.41 0.46 1.96 0.00 0.00 0.00 179.25 182.49 1wki h GLN 45 N 0.88 0.87 -0.52 0.00 1.08 -1.95 -1.91 115.11 113.56 1wki h GLN 45 Ca 0.21 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1wki h GLN 45 Cb 0.17 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1wki h GLN 45 CO -0.02 0.58 0.35 1.96 -0.95 0.00 0.00 178.83 180.74 1wki h GLN 46 N 0.90 0.57 0.00 1.46 4.20 -1.88 2.61 115.11 122.97 1wki h GLN 46 Ca 0.30 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 1wki h GLN 46 Cb 0.04 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1wki h GLN 46 CO -0.12 0.38 -0.00 0.82 -0.67 0.00 0.00 178.83 179.24 1wki h ILE 47 N 0.58 1.46 0.07 2.54 2.04 -1.31 -2.71 117.51 120.19 1wki h ILE 47 Ca 0.21 -1.36 -0.16 0.00 1.00 0.00 0.00 64.86 64.55 1wki h ILE 47 Cb 0.11 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1wki h ILE 47 CO -0.05 0.35 -0.81 -0.08 0.00 0.00 0.00 178.15 177.55 1wki h GLU 48 N -0.58 0.15 -0.48 2.37 4.81 -1.09 -3.04 114.58 116.72 1wki h GLU 48 Ca -0.00 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.58 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.99 1wki h GLU 48 CO 0.00 1.13 0.13 0.00 -0.73 0.00 0.00 179.01 179.54 1wki h ALA 49 N -0.06 0.56 -0.57 2.92 0.00 0.44 -0.25 119.26 122.30 1wki h ALA 49 Ca -0.18 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1wki h ALA 49 Cb 1.44 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1wki h ALA 49 CO 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 179.25 179.03 1wki h ALA 50 N 1.35 0.77 -0.88 0.00 0.00 -1.51 -2.91 119.26 116.08 1wki h ALA 50 Ca 0.24 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wki h ALA 50 Cb 0.29 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1wki h ALA 50 CO -0.28 0.58 0.58 -0.09 0.00 0.00 0.00 179.25 180.04 1wki h ARG 51 N 0.89 1.13 -0.87 0.00 2.43 -1.24 -0.86 114.38 115.86 1wki h ARG 51 Ca 0.17 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1wki h ARG 51 Cb 0.51 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 1wki h ARG 51 CO 0.02 0.75 0.56 0.28 -1.51 0.00 0.00 179.97 180.07 1wki h VAL 52 N 1.17 1.13 -0.33 0.20 2.07 -0.88 0.52 116.25 120.13 1wki h VAL 52 Ca 0.33 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 1wki h VAL 52 Cb -0.09 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.63 1wki h VAL 52 CO -0.09 0.20 -0.40 0.00 0.02 0.00 0.00 177.57 177.30 1wki h ALA 53 N 1.37 0.67 0.01 1.67 0.00 -1.24 -2.33 119.26 119.41 1wki h ALA 53 Ca 0.35 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wki h ALA 53 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wki h ALA 53 CO -0.12 0.67 -0.00 0.52 0.00 0.00 0.00 179.25 180.31 1wki h MET 54 N 0.65 -0.01 -0.82 0.00 2.07 -0.54 -1.83 114.93 114.45 1wki h MET 54 Ca 0.05 0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.76 1wki h MET 54 Cb 0.97 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.64 1wki h MET 54 CO 0.09 0.54 0.54 0.28 1.07 0.00 0.00 176.91 179.43 1wki h VAL 55 N -0.57 1.01 0.00 -2.22 2.07 -0.03 -0.95 116.25 115.57 1wki h VAL 55 Ca -0.00 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 1wki h VAL 55 Cb 0.55 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1wki h VAL 55 CO 0.00 0.16 -0.71 0.03 0.02 0.00 0.00 177.57 177.07 1wki h ARG 56 N 0.86 0.00 0.24 1.57 3.08 -1.43 -3.29 114.38 115.41 1wki h ARG 56 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1wki h ARG 56 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1wki h ARG 56 CO -0.14 0.71 -0.11 1.25 -1.07 0.00 0.00 179.97 180.61 1wki h HIS 57 N 0.00 -0.29 -1.62 3.04 2.76 -0.28 -3.41 115.15 115.34 1wki h HIS 57 Ca -0.01 -0.01 -0.62 0.00 -2.20 0.00 0.00 60.37 57.54 1wki h HIS 57 Cb 1.30 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.35 1wki h HIS 57 CO 0.00 -0.12 1.47 1.19 -1.30 0.00 0.00 177.93 179.17 1wki n PHE 58 N -5.19 1.80 0.08 5.26 3.72 -1.04 -4.82 117.46 117.27 1wki n PHE 58 Ca -0.09 0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.31 1wki n PHE 58 Cb 0.18 -2.65 0.19 0.00 -0.94 0.00 0.00 39.48 36.25 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 14.23 0.27 -1.03 -1.08 3.08 -1.89 -2.92 114.38 125.04 1wki h ARG 59 Ca -0.35 -0.14 -0.52 0.00 0.07 0.00 0.00 59.98 59.04 1wki h ARG 59 Cb 1.27 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.05 1wki h ARG 59 CO 0.99 0.67 0.66 0.54 -1.07 0.00 0.00 179.97 181.77 1wki n ARG 60 N -3.99 2.26 -1.46 0.04 1.74 -1.26 -5.03 116.66 108.96 1wki n ARG 60 Ca -0.02 -2.82 0.09 0.00 -0.77 0.00 0.00 57.85 54.33 1wki n ARG 60 Cb 0.51 -2.10 -0.05 0.00 -1.02 0.00 0.00 32.46 29.80 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 -0.90 -3.70 3.59 -0.13 0.00 -1.10 -4.99 105.19 97.95 1wki n GLY 61 Ca 0.55 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 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 -6.27 -0.26 -0.04 -0.02 0.00 -1.26 -4.67 107.32 94.80 1wki s GLY 62 Ca 0.00 1.75 0.06 0.00 0.00 0.00 0.00 44.72 46.53 1wki s GLY 62 CO 0.00 0.65 -0.23 -1.59 0.00 0.00 0.00 173.10 171.93 1wki s LYS 63 N -2.14 2.13 0.01 2.90 -2.85 -1.26 -4.88 119.74 113.65 1wki s LYS 63 Ca 0.07 -0.83 0.04 0.00 -1.00 0.00 0.00 55.97 54.25 1wki s LYS 63 Cb -0.01 -1.92 -0.03 0.00 -2.06 0.00 0.00 37.83 33.81 1wki s LYS 63 CO -0.05 0.42 -0.08 0.42 0.10 0.00 0.00 175.35 176.16 1wki s ILE 64 N -0.31 3.55 -0.34 3.79 1.01 -1.26 -3.13 121.20 124.52 1wki s ILE 64 Ca 0.02 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1wki s ILE 64 Cb -0.11 -2.55 0.04 0.00 0.01 0.00 0.00 42.46 39.85 1wki s ILE 64 CO 0.01 0.37 0.11 -0.36 0.00 0.00 0.00 174.94 175.07 1wki s PHE 65 N -1.00 3.27 -0.18 3.97 0.08 0.24 -4.97 117.98 119.40 1wki s PHE 65 Ca 0.17 -1.50 -0.13 0.00 0.12 0.00 0.00 56.93 55.58 1wki s PHE 65 Cb -0.11 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.97 1wki s PHE 65 CO 0.08 -0.75 0.27 0.42 -0.10 0.00 0.00 175.22 175.13 1wki s ILE 66 N 1.38 5.32 -0.21 0.64 -1.09 -1.26 -2.49 121.20 123.49 1wki s ILE 66 Ca -0.01 0.48 0.12 0.00 -2.23 0.00 0.00 60.65 59.01 1wki s ILE 66 Cb -0.20 -3.61 0.41 0.00 -1.58 0.00 0.00 42.46 37.49 1wki s ILE 66 CO 0.02 0.38 1.23 0.54 -1.23 0.00 0.00 174.94 175.88 1wki n ARG 67 N 3.69 1.58 -4.67 2.79 5.12 -1.16 -5.00 116.66 119.01 1wki n ARG 67 Ca -0.12 -3.22 -0.25 0.00 -1.93 0.00 0.00 57.85 52.33 1wki n ARG 67 Cb 0.52 -1.62 -0.17 0.00 -1.16 0.00 0.00 32.46 30.03 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 -3.20 1.24 -0.02 0.55 -4.36 -1.26 -5.00 121.20 109.15 1wki s ILE 68 Ca 0.38 -0.55 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 1wki s ILE 68 Cb 0.36 -1.12 -0.00 0.00 1.25 0.00 0.00 42.46 42.95 1wki s ILE 68 CO -0.05 0.38 -0.10 -0.36 0.24 0.00 0.00 174.94 175.04 1wki s PHE 69 N 0.56 1.02 -0.52 1.37 0.08 -1.26 -5.02 117.98 114.22 1wki s PHE 69 Ca -0.14 -0.24 -0.27 0.00 0.12 0.00 0.00 56.93 56.40 1wki s PHE 69 Cb -0.15 -0.70 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1wki s PHE 69 CO 0.04 -0.08 1.70 -1.25 -0.10 0.00 0.00 175.22 175.54 1wki s PRO 70 N 0.02 3.04 0.00 0.24 0.04 -1.26 -4.37 135.00 132.71 1wki s PRO 70 Ca -0.01 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1wki s PRO 70 Cb -0.07 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1wki s PRO 70 CO 0.00 -2.23 0.00 -3.47 0.04 0.00 0.00 177.00 171.34 1wki n ASP 71 N 11.06 0.97 -4.77 6.66 2.03 -0.83 -4.62 116.55 127.04 1wki n ASP 71 Ca 0.19 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.10 1wki n ASP 71 Cb 0.50 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.88 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wki s LYS 72 N -1.95 4.11 0.57 -0.67 -0.14 -0.90 -4.76 119.74 115.99 1wki s LYS 72 Ca 0.00 2.10 -0.17 0.00 -1.36 0.00 0.00 55.97 56.54 1wki s LYS 72 Cb 0.00 -2.84 -0.05 0.00 -1.68 0.00 0.00 37.83 33.26 1wki s LYS 72 CO 0.00 -0.36 1.05 -1.25 -0.76 0.00 0.00 175.35 174.03 1wki s PRO 73 N -2.11 3.45 -0.86 -1.68 0.04 -1.26 -0.92 135.00 131.66 1wki s PRO 73 Ca 0.54 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1wki s PRO 73 Cb -0.37 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.34 1wki s PRO 73 CO 0.48 -0.70 0.80 -0.47 0.04 0.00 0.00 177.00 177.14 1wki s TYR 74 N -2.35 3.83 -0.03 0.56 6.14 -1.08 -4.78 117.35 119.63 1wki s TYR 74 Ca 0.64 -2.31 0.07 0.00 0.64 0.00 0.00 57.07 56.11 1wki s TYR 74 Cb -0.16 -3.70 -0.02 0.00 0.42 0.00 0.00 41.96 38.50 1wki s TYR 74 CO 0.33 -0.94 -0.24 0.95 0.64 0.00 0.00 175.55 176.28 1wki s THR 75 N -0.27 2.23 -0.86 4.34 -4.23 -1.26 -0.22 115.64 115.37 1wki s THR 75 Ca 0.21 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1wki s THR 75 Cb -0.11 -1.79 0.31 0.00 1.34 0.00 0.00 72.50 72.25 1wki s THR 75 CO -0.08 0.58 1.36 0.29 -0.54 0.00 0.00 174.62 176.23 1wki n LYS 76 N 2.52 4.23 -3.87 3.99 5.02 -1.26 -4.93 118.16 123.86 1wki n LYS 76 Ca -0.16 -4.70 -0.30 0.00 -2.02 0.00 0.00 58.31 51.12 1wki n LYS 76 Cb 0.51 -2.39 -0.14 0.00 -0.02 0.00 0.00 35.03 33.00 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wki s LYS 77 N -3.51 1.46 0.01 1.97 3.01 -1.26 -5.00 119.74 116.42 1wki s LYS 77 Ca 0.40 -2.01 -0.26 0.00 -1.01 0.00 0.00 55.97 53.09 1wki s LYS 77 Cb 0.18 -2.81 -0.15 0.00 -1.01 0.00 0.00 37.83 34.04 1wki s LYS 77 CO -0.06 -1.06 1.15 -1.35 0.51 0.00 0.00 175.35 174.53 1wki h PRO 78 N 7.11 -0.79 -7.00 -1.68 0.11 -1.95 -3.40 132.00 124.40 1wki h PRO 78 Ca -0.06 0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.56 1wki h PRO 78 Cb 0.95 0.18 0.12 0.00 0.11 0.00 0.00 31.00 32.37 1wki h PRO 78 CO 0.55 -0.48 0.69 -0.51 -0.21 0.00 0.00 178.00 178.05 1wki s LEU 79 N -9.56 4.07 0.00 2.35 1.02 -1.26 -4.75 118.68 110.55 1wki s LEU 79 Ca -0.14 2.91 0.00 0.00 0.02 0.00 0.00 54.13 56.92 1wki s LEU 79 Cb 0.02 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 42.24 1wki s LEU 79 CO 0.46 -1.24 0.00 1.21 0.02 0.00 0.00 176.35 176.79 1wki n GLU 80 N -0.32 -2.16 -2.36 1.70 2.13 -1.26 -4.76 120.64 113.61 1wki n GLU 80 Ca 0.06 1.42 -0.36 0.00 0.66 0.00 0.00 57.16 58.94 1wki n GLU 80 Cb 0.42 -2.63 -0.02 0.00 0.27 0.00 0.00 31.44 29.49 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 -1.69 3.35 0.49 6.31 1.01 -1.26 -4.92 120.40 123.69 1wki s VAL 81 Ca 0.00 0.93 0.17 0.00 0.00 0.00 0.00 61.98 63.08 1wki s VAL 81 Cb 0.00 -3.43 0.31 0.00 0.00 0.00 0.00 36.38 33.27 1wki s VAL 81 CO 0.00 -0.10 2.07 0.03 0.00 0.00 0.00 175.10 177.10 1wki h ARG 82 N 1.76 0.13 -6.52 2.72 3.08 -1.86 -3.41 114.38 110.28 1wki h ARG 82 Ca -0.49 -0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.02 1wki h ARG 82 Cb 1.24 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1wki h ARG 82 CO 0.59 0.09 -0.01 0.00 -1.07 0.00 0.00 179.97 179.57 1wki s MET 83 N -5.16 3.97 0.00 0.04 0.23 -1.26 -4.94 119.30 112.18 1wki s MET 83 Ca -0.06 0.53 0.00 0.00 -1.03 0.00 0.00 55.69 55.14 1wki s MET 83 Cb 0.18 -2.67 0.00 0.00 -1.53 0.00 0.00 34.83 30.81 1wki s MET 83 CO 0.71 0.31 0.00 0.41 -2.03 0.00 0.00 175.02 174.42 1wki n GLY 84 N 0.12 3.14 0.14 3.16 0.00 -1.26 -5.02 105.19 105.46 1wki n GLY 84 Ca -0.00 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.15 1wki n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki h LYS 85 N 0.00 0.00 0.00 1.61 6.56 -1.99 -3.44 116.57 119.31 1wki h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wki h LYS 85 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1wki h LYS 85 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 1wki n GLY 86 N 1.21 0.00 3.63 3.86 0.00 -1.26 -5.17 105.19 107.46 1wki n GLY 86 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.14 0.00 1.61 2.20 -1.26 -5.18 119.74 117.25 1wki s LYS 87 Ca 0.00 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1wki s LYS 87 Cb 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1wki s LYS 87 CO 0.00 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1wki n GLY 88 N 0.48 3.47 3.50 5.54 0.00 -1.26 -4.47 105.19 112.45 1wki n GLY 88 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 6.38 0.16 1.61 2.47 -1.26 -5.01 114.94 119.30 1wki s ASN 89 Ca 0.00 -1.31 -0.30 0.00 0.42 0.00 0.00 52.86 51.68 1wki s ASN 89 Cb 0.00 -2.48 -0.07 0.00 -1.45 0.00 0.00 41.25 37.25 1wki s ASN 89 CO 0.00 -1.43 0.94 0.54 -3.72 0.00 0.00 177.10 173.44 1wki s VAL 90 N 4.23 4.33 -1.48 -5.21 0.11 -1.26 -4.91 120.40 116.21 1wki s VAL 90 Ca 0.34 2.06 -0.08 0.00 -2.93 0.00 0.00 61.98 61.37 1wki s VAL 90 Cb -0.07 -4.32 0.02 0.00 -1.53 0.00 0.00 36.38 30.47 1wki s VAL 90 CO 0.00 0.40 2.67 -0.62 -3.33 0.00 0.00 175.10 174.22 1wki n GLU 91 N 2.24 4.15 0.00 1.54 -0.58 0.70 -4.92 120.64 123.77 1wki n GLU 91 Ca 0.00 -2.83 0.00 0.00 -0.42 0.00 0.00 57.16 53.91 1wki n GLU 91 Cb 0.48 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 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 2.65 0.01 3.31 0.62 0.00 -1.26 -4.43 105.19 106.09 1wki n GLY 92 Ca 0.71 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 1.90 0.26 1.61 2.02 -1.26 -2.64 117.35 119.23 1wki s TYR 93 Ca 0.00 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 1wki s TYR 93 Cb 0.00 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1wki s TYR 93 CO 0.00 0.23 0.33 0.14 -1.57 0.00 0.00 175.55 174.67 1wki s VAL 94 N -1.12 0.00 -0.35 0.71 -7.23 -0.10 -4.20 120.40 108.11 1wki s VAL 94 Ca 0.08 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1wki s VAL 94 Cb -0.10 -2.43 0.09 0.00 0.56 0.00 0.00 36.38 34.50 1wki s VAL 94 CO 0.04 0.00 0.09 0.00 -0.31 0.00 0.00 175.10 174.92 1wki s ALA 95 N -3.82 2.96 0.21 1.32 0.00 0.99 -1.97 121.76 121.45 1wki s ALA 95 Ca 0.32 -2.29 -0.32 0.00 0.00 0.00 0.00 51.96 49.67 1wki s ALA 95 Cb 0.03 -2.12 -0.12 0.00 0.00 0.00 0.00 23.12 20.91 1wki s ALA 95 CO 0.14 -1.60 1.69 0.08 0.00 0.00 0.00 175.76 176.07 1wki s VAL 96 N 1.10 2.10 0.21 0.00 1.01 -1.26 -2.48 120.40 121.09 1wki s VAL 96 Ca 0.04 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1wki s VAL 96 Cb -0.21 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1wki s VAL 96 CO -0.04 0.01 -0.13 -0.69 0.00 0.00 0.00 175.10 174.24 1wki s VAL 97 N 1.05 1.71 0.16 2.92 1.01 -0.66 -5.00 120.40 121.59 1wki s VAL 97 Ca 0.73 -2.20 0.05 0.00 0.00 0.00 0.00 61.98 60.56 1wki s VAL 97 Cb -0.49 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1wki s VAL 97 CO 0.34 -0.56 -0.11 -0.54 0.00 0.00 0.00 175.10 174.23 1wki s LYS 98 N -3.66 1.11 -0.18 2.72 3.01 -1.26 -3.07 119.74 118.40 1wki s LYS 98 Ca 0.23 -1.48 -0.34 0.00 -1.01 0.00 0.00 55.97 53.38 1wki s LYS 98 Cb -0.00 -0.70 -0.11 0.00 -1.01 0.00 0.00 37.83 36.01 1wki s LYS 98 CO 0.07 0.09 2.00 -2.30 0.51 0.00 0.00 175.35 175.72 1wki n PRO 99 N -0.23 1.83 -0.07 -1.68 -0.02 -1.23 -2.23 135.00 131.37 1wki n PRO 99 Ca -0.10 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1wki n PRO 99 Cb 0.61 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 5.12 1.63 3.23 -1.23 0.00 0.32 -4.92 105.19 109.34 1wki n GLY 100 Ca 0.28 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.78 3.11 -0.64 1.61 3.00 -0.95 -3.37 118.95 120.94 1wki s ARG 101 Ca 0.00 -0.79 -0.27 0.00 -1.00 0.00 0.00 55.73 53.67 1wki s ARG 101 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 34.95 32.09 1wki s ARG 101 CO 0.00 -0.27 1.18 0.08 0.00 0.00 0.00 175.30 176.30 1wki s VAL 102 N 1.38 3.97 -0.12 7.11 1.01 -1.26 -0.85 120.40 131.65 1wki s VAL 102 Ca 0.04 0.57 0.16 0.00 0.00 0.00 0.00 61.98 62.74 1wki s VAL 102 Cb -0.15 -4.78 -0.23 0.00 0.00 0.00 0.00 36.38 31.22 1wki s VAL 102 CO -0.06 -1.52 0.42 1.15 0.00 0.00 0.00 175.10 175.09 1wki n MET 103 N 8.63 0.66 -4.42 2.72 0.00 -0.04 -4.81 117.12 119.86 1wki n MET 103 Ca 0.05 0.14 -0.25 0.00 0.00 0.00 0.00 57.70 57.64 1wki n MET 103 Cb 0.49 -1.67 -0.13 0.00 0.00 0.00 0.00 33.22 31.91 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 -2.62 1.87 -0.18 3.17 0.40 -1.18 -2.98 117.98 116.46 1wki s PHE 104 Ca -0.07 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.77 1wki s PHE 104 Cb 0.07 -1.05 0.07 0.00 0.51 0.00 0.00 43.02 42.62 1wki s PHE 104 CO 0.83 0.19 0.41 -1.21 0.70 0.00 0.00 175.22 176.14 1wki s GLU 105 N -1.70 0.37 0.28 0.44 8.01 -1.04 0.14 118.70 125.21 1wki s GLU 105 Ca 0.08 0.85 0.10 0.00 0.01 0.00 0.00 54.97 56.01 1wki s GLU 105 Cb -0.10 0.06 -0.05 0.00 -4.31 0.00 0.00 34.13 29.74 1wki s GLU 105 CO 0.04 -0.18 -0.03 0.14 0.01 0.00 0.00 175.26 175.23 1wki s VAL 106 N 1.73 3.18 -0.22 2.63 -7.23 -1.18 0.80 120.40 120.11 1wki s VAL 106 Ca -0.07 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 57.88 1wki s VAL 106 Cb -0.09 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.15 1wki s VAL 106 CO -0.13 -0.35 0.64 0.00 -0.31 0.00 0.00 175.10 174.95 1wki s ALA 107 N -2.38 -1.58 0.00 1.32 0.00 -1.18 0.32 121.76 118.26 1wki s ALA 107 Ca 0.32 1.75 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1wki s ALA 107 Cb -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1wki s ALA 107 CO 0.19 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1wki n GLY 108 N 2.60 3.01 3.94 0.00 0.00 -1.26 -4.03 105.19 109.44 1wki n GLY 108 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.87 4.12 1.20 1.61 -7.23 -1.26 -5.03 120.40 110.94 1wki s VAL 109 Ca 0.00 -0.31 -0.19 0.00 -1.81 0.00 0.00 61.98 59.67 1wki s VAL 109 Cb 0.00 -3.55 0.29 0.00 0.56 0.00 0.00 36.38 33.68 1wki s VAL 109 CO 0.00 -0.44 1.12 0.42 -0.31 0.00 0.00 175.10 175.89 1wki s THR 110 N -2.65 1.60 0.02 5.32 -4.23 -1.26 -4.75 115.64 109.70 1wki s THR 110 Ca 0.49 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.80 1wki s THR 110 Cb -0.10 -2.51 -0.19 0.00 1.34 0.00 0.00 72.50 71.04 1wki s THR 110 CO 0.40 0.00 1.20 -0.08 -0.54 0.00 0.00 174.62 175.60 1wki h GLU 111 N -2.56 0.41 -0.69 3.99 4.81 -1.98 0.80 114.58 119.35 1wki h GLU 111 Ca -0.44 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.44 1wki h GLU 111 Cb 1.29 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1wki h GLU 111 CO 0.33 0.98 0.43 1.49 -0.73 0.00 0.00 179.01 181.51 1wki h GLU 112 N -0.05 0.93 -0.05 1.92 4.22 -1.98 0.77 114.58 120.35 1wki h GLU 112 Ca -0.03 -0.08 -0.25 0.00 0.08 0.00 0.00 59.36 59.09 1wki h GLU 112 Cb 1.06 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 30.13 1wki h GLU 112 CO 0.08 0.65 -0.94 1.96 -2.18 0.00 0.00 179.01 178.58 1wki h GLN 113 N 0.94 0.72 -0.09 1.92 4.20 -1.94 -2.30 115.11 118.56 1wki h GLN 113 Ca 0.25 -0.71 -0.02 0.00 0.06 0.00 0.00 58.65 58.22 1wki h GLN 113 Cb -0.05 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1wki h GLN 113 CO -0.05 1.30 -0.03 0.00 -0.67 0.00 0.00 178.83 179.37 1wki h ALA 114 N 0.44 0.13 -0.23 3.87 0.00 -0.60 0.46 119.26 123.33 1wki h ALA 114 Ca -0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wki h ALA 114 Cb 1.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1wki h ALA 114 CO 0.19 -0.12 0.14 0.52 0.00 0.00 0.00 179.25 179.97 1wki h MET 115 N -0.17 0.31 -0.11 0.00 2.86 0.47 0.13 114.93 118.42 1wki h MET 115 Ca 0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1wki h MET 115 Cb 0.47 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1wki h MET 115 CO 0.01 0.25 0.05 1.49 1.06 0.00 0.00 176.91 179.76 1wki h GLU 116 N 0.29 0.16 -0.23 1.72 4.81 -1.43 -0.39 114.58 119.51 1wki h GLU 116 Ca 0.08 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1wki h GLU 116 Cb 0.01 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1wki h GLU 116 CO -0.02 0.25 0.06 0.00 -0.73 0.00 0.00 179.01 178.57 1wki h ALA 117 N 0.90 0.25 -0.11 2.92 0.00 -0.73 0.28 119.26 122.76 1wki h ALA 117 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wki h ALA 117 Cb 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wki h ALA 117 CO -0.00 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.80 1wki h LEU 118 N 0.16 0.14 -0.08 0.00 4.07 -0.63 -2.18 115.31 116.79 1wki h LEU 118 Ca 0.10 -0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.82 1wki h LEU 118 Cb 0.09 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.81 1wki h LEU 118 CO -0.13 0.19 -0.86 0.03 -1.08 0.00 0.00 178.44 176.59 1wki h ARG 119 N 0.16 0.73 -0.65 1.13 3.08 0.12 -3.16 114.38 115.80 1wki h ARG 119 Ca 0.04 -0.68 0.06 0.00 0.07 0.00 0.00 59.98 59.48 1wki h ARG 119 Cb 0.14 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1wki h ARG 119 CO 0.00 1.27 0.43 0.82 -1.07 0.00 0.00 179.97 181.42 1wki h ILE 120 N 0.44 1.00 -0.44 2.04 2.04 0.13 1.00 117.51 123.72 1wki h ILE 120 Ca -0.08 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1wki h ILE 120 Cb 1.51 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1wki h ILE 120 CO 0.17 0.12 0.10 0.00 0.00 0.00 0.00 178.15 178.54 1wki h ALA 121 N 1.65 0.58 0.00 1.87 0.00 -1.44 -2.72 119.26 119.20 1wki h ALA 121 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wki h ALA 121 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wki h ALA 121 CO -0.09 0.28 0.00 0.78 0.00 0.00 0.00 179.25 180.22 1wki h GLY 122 N 0.59 0.00 0.79 0.00 0.00 -1.25 -3.23 103.07 99.97 1wki h GLY 122 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1wki h GLY 122 CO 0.00 0.00 0.58 0.45 0.00 0.00 0.00 176.54 177.57 1wki h HIS 123 N 0.00 1.07 -0.02 5.60 -0.00 -0.51 -0.26 115.15 121.03 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 0.80 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1wki h HIS 123 CO 0.00 0.58 0.00 0.36 -0.00 0.00 0.00 177.93 178.87 1wki n LYS 124 N -4.55 1.57 -2.78 2.45 0.00 -1.22 -4.90 118.16 108.74 1wki n LYS 124 Ca 0.13 -0.83 -0.31 0.00 -0.00 0.00 0.00 58.31 57.29 1wki n LYS 124 Cb 0.14 -1.48 -0.04 0.00 -0.00 0.00 0.00 35.03 33.66 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 -1.98 3.82 -0.13 -5.58 1.43 -0.11 -4.97 118.68 111.16 1wki s LEU 125 Ca 0.39 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 1wki s LEU 125 Cb 0.21 -4.17 0.32 0.00 0.03 0.00 0.00 46.19 42.58 1wki s LEU 125 CO 0.34 -0.42 1.13 -0.81 0.23 0.00 0.00 176.35 176.82 1wki n PRO 126 N -1.21 2.30 -3.87 1.29 -0.04 -1.26 -4.88 135.00 127.33 1wki n PRO 126 Ca 0.04 -1.29 -0.10 0.00 -0.04 0.00 0.00 63.50 62.11 1wki n PRO 126 Cb 0.54 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.62 0.05 0.09 0.52 -5.25 -1.26 -4.94 121.20 108.79 1wki s ILE 127 Ca 0.23 -1.15 -0.29 0.00 -0.99 0.00 0.00 60.65 58.44 1wki s ILE 127 Cb 0.18 -1.73 -0.05 0.00 2.95 0.00 0.00 42.46 43.80 1wki s ILE 127 CO 0.06 -0.24 0.94 -0.75 -1.79 0.00 0.00 174.94 173.16 1wki s LYS 128 N -3.93 4.66 0.03 0.37 2.47 -1.26 -4.91 119.74 117.16 1wki s LYS 128 Ca 0.14 1.39 0.01 0.00 -1.56 0.00 0.00 55.97 55.96 1wki s LYS 128 Cb 0.02 -3.38 -0.02 0.00 -1.46 0.00 0.00 37.83 32.98 1wki s LYS 128 CO -0.01 0.19 -0.06 0.95 0.16 0.00 0.00 175.35 176.58 1wki s THR 129 N 0.11 0.36 0.17 3.43 -4.23 -1.26 0.11 115.64 114.33 1wki s THR 129 Ca 0.46 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 60.15 1wki s THR 129 Cb -0.23 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 1wki s THR 129 CO 0.29 -0.34 -0.10 -1.59 -0.54 0.00 0.00 174.62 172.34 1wki s LYS 130 N -1.29 1.16 -0.01 3.99 -2.85 -0.87 -4.95 119.74 114.92 1wki s LYS 130 Ca -0.10 -1.52 -0.18 0.00 -1.00 0.00 0.00 55.97 53.17 1wki s LYS 130 Cb -0.09 -0.74 -0.05 0.00 -2.06 0.00 0.00 37.83 34.89 1wki s LYS 130 CO -0.00 0.08 0.51 0.42 0.10 0.00 0.00 175.35 176.46 1wki s ILE 131 N -3.25 4.97 -0.03 3.79 -1.09 -1.26 -1.97 121.20 122.35 1wki s ILE 131 Ca 0.20 1.06 -0.01 0.00 -2.23 0.00 0.00 60.65 59.67 1wki s ILE 131 Cb 0.02 -3.84 0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1wki s ILE 131 CO 0.03 0.47 0.06 0.68 -1.23 0.00 0.00 174.94 174.96 1wki s VAL 132 N -0.44 -0.05 0.80 2.92 -7.23 -0.23 -4.95 120.40 111.22 1wki s VAL 132 Ca 0.27 0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.50 1wki s VAL 132 Cb -0.17 -0.12 0.07 0.00 0.56 0.00 0.00 36.38 36.71 1wki s VAL 132 CO 0.15 0.07 1.10 -0.60 -0.31 0.00 0.00 175.10 175.51 1wki s ARG 133 N 0.91 2.09 -0.89 4.82 3.52 -1.24 0.14 118.95 128.29 1wki s ARG 133 Ca -0.07 0.57 -0.18 0.00 -0.13 0.00 0.00 55.73 55.92 1wki s ARG 133 Cb -0.10 -1.92 -0.24 0.00 -1.56 0.00 0.00 34.95 31.12 1wki s ARG 133 CO -0.03 -1.60 2.30 -2.13 -0.81 0.00 0.00 175.30 173.03 1wki n ARG 134 N -3.41 0.27 -2.77 5.12 0.63 0.32 0.73 116.66 117.55 1wki n ARG 134 Ca 0.07 -0.35 -0.08 0.00 -0.92 0.00 0.00 57.85 56.58 1wki n ARG 134 Cb 0.57 -2.22 0.02 0.00 0.45 0.00 0.00 32.46 31.28 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 11.56 -3.31 -4.07 6.15 -0.08 -1.26 -5.02 116.55 120.52 1wki n ASP 135 Ca 0.58 -0.15 -0.35 0.00 -1.51 0.00 0.00 54.79 53.36 1wki n ASP 135 Cb 0.27 -1.94 -0.12 0.00 2.34 0.00 0.00 41.12 41.67 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 -3.02 3.34 -0.14 -1.67 0.00 0.22 -5.06 121.76 115.43 1wki s ALA 136 Ca 0.17 -2.98 -0.00 0.00 0.00 0.00 0.00 51.96 49.15 1wki s ALA 136 Cb -0.07 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.65 1wki s ALA 136 CO 0.21 -1.96 -0.10 0.71 0.00 0.00 0.00 175.76 174.62 1wki s TYR 137 N 0.34 1.84 -0.79 0.00 1.51 -1.26 -3.73 117.35 115.26 1wki s TYR 137 Ca 0.14 -1.02 -0.20 0.00 -1.01 0.00 0.00 57.07 54.98 1wki s TYR 137 Cb -0.22 -1.41 0.11 0.00 -0.11 0.00 0.00 41.96 40.33 1wki s TYR 137 CO -0.04 -0.60 1.00 0.34 -1.11 0.00 0.00 175.55 175.14 1wki s ASP 138 N 1.59 6.42 -0.40 2.29 2.15 -1.26 -5.00 116.67 122.46 1wki s ASP 138 Ca 0.04 -1.63 -0.29 0.00 0.43 0.00 0.00 52.55 51.10 1wki s ASP 138 Cb -0.13 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1wki s ASP 138 CO -0.09 -1.18 1.18 -1.61 -0.17 0.00 0.00 175.17 173.30 1wki s GLU 139 N 3.04 3.83 -0.34 4.34 0.41 -1.26 -4.99 118.70 123.74 1wki s GLU 139 Ca 0.26 0.86 0.00 0.00 -0.41 0.00 0.00 54.97 55.68 1wki s GLU 139 Cb -0.12 -3.87 0.08 0.00 -1.78 0.00 0.00 34.13 28.44 1wki s GLU 139 CO -0.01 -1.23 0.06 0.00 -0.49 0.00 0.00 175.26 173.59 1wki s ALA 140 N 4.35 2.90 0.00 5.21 0.00 -1.26 -5.35 121.76 127.61 1wki s ALA 140 Ca 0.50 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1wki s ALA 140 Cb -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1wki s ALA 140 CO 0.26 -1.53 0.44 1.04 0.00 0.00 0.00 175.76 175.98