#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 -0.33 -0.78 4.03 1.43 -1.26 -5.11 118.68 116.66 1wki s LEU 2 Ca 0.00 0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 54.00 1wki s LEU 2 Cb 0.00 1.45 0.20 0.00 0.03 0.00 0.00 46.19 47.87 1wki s LEU 2 CO 0.00 -0.21 0.66 -0.04 0.23 0.00 0.00 176.35 177.00 1wki s MET 3 N 1.78 3.21 0.16 1.70 -1.94 -1.26 -5.06 119.30 117.89 1wki s MET 3 Ca -0.07 -2.62 -0.30 0.00 -1.71 0.00 0.00 55.69 50.98 1wki s MET 3 Cb -0.09 -4.12 -0.08 0.00 2.01 0.00 0.00 34.83 32.55 1wki s MET 3 CO -0.13 -1.24 1.29 -1.25 -0.01 0.00 0.00 175.02 173.68 1wki s PRO 4 N -0.17 4.40 -0.07 2.03 0.04 -1.26 -5.03 135.00 134.94 1wki s PRO 4 Ca 0.19 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1wki s PRO 4 Cb -0.14 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1wki s PRO 4 CO -0.07 -0.26 -0.14 -0.98 0.04 0.00 0.00 177.00 175.59 1wki s ARG 5 N 0.31 2.72 -0.23 4.56 1.70 -1.26 -5.10 118.95 121.64 1wki s ARG 5 Ca 0.58 -0.69 -0.03 0.00 -0.47 0.00 0.00 55.73 55.11 1wki s ARG 5 Cb -0.35 -2.44 0.13 0.00 -0.57 0.00 0.00 34.95 31.72 1wki s ARG 5 CO 0.35 0.52 0.37 1.03 -1.08 0.00 0.00 175.30 176.48 1wki s ARG 6 N -0.46 0.33 -0.04 3.89 0.52 -1.26 -5.13 118.95 116.80 1wki s ARG 6 Ca 0.06 0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 55.52 1wki s ARG 6 Cb -0.12 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.85 1wki s ARG 6 CO 0.02 -0.61 1.07 -1.64 0.02 0.00 0.00 175.30 174.16 1wki s MET 7 N 2.53 4.45 0.53 3.54 -1.94 -1.26 -4.92 119.30 122.23 1wki s MET 7 Ca 0.11 1.51 0.30 0.00 -1.71 0.00 0.00 55.69 55.90 1wki s MET 7 Cb -0.15 -3.49 1.48 0.00 2.01 0.00 0.00 34.83 34.68 1wki s MET 7 CO -0.15 -0.26 2.06 0.87 -0.01 0.00 0.00 175.02 177.53 1wki h LYS 8 N 7.05 0.00 -6.01 2.03 1.57 -2.07 -3.43 116.57 115.71 1wki h LYS 8 Ca -0.36 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.79 1wki h LYS 8 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1wki h LYS 8 CO 0.82 0.10 1.43 0.66 -0.57 0.00 0.00 179.45 181.90 1wki n TYR 9 N -3.46 1.84 -3.91 -1.35 4.01 -1.26 -4.95 117.16 108.08 1wki n TYR 9 Ca -0.01 0.05 -0.32 0.00 -0.16 0.00 0.00 57.90 57.46 1wki n TYR 9 Cb 0.25 -2.64 -0.04 0.00 -0.31 0.00 0.00 39.34 36.60 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 6.13 3.44 -0.39 -0.72 0.52 -1.26 -4.74 118.95 121.93 1wki s ARG 10 Ca 1.04 -0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 55.72 1wki s ARG 10 Cb -0.58 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 31.85 1wki s ARG 10 CO 0.42 0.62 0.44 1.63 0.02 0.00 0.00 175.30 178.44 1wki n LYS 11 N 0.44 -2.64 -1.42 3.54 4.76 -1.26 -4.99 118.16 116.58 1wki n LYS 11 Ca -0.06 2.28 -0.30 0.00 -2.87 0.00 0.00 58.31 57.36 1wki n LYS 11 Cb 0.51 -5.56 0.12 0.00 -1.84 0.00 0.00 35.03 28.26 1wki n LYS 11 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1wki s GLN 12 N -2.34 1.57 -0.23 1.97 0.74 -1.26 -4.95 119.66 115.16 1wki s GLN 12 Ca 0.18 0.62 -0.29 0.00 0.05 0.00 0.00 55.36 55.93 1wki s GLN 12 Cb -0.05 -1.86 -0.02 0.00 1.10 0.00 0.00 33.01 32.18 1wki s GLN 12 CO 0.76 -1.97 1.47 -0.65 -0.55 0.00 0.00 175.29 174.35 1wki s GLN 13 N -5.10 3.92 -0.41 1.67 -1.52 -1.26 -4.93 119.66 112.03 1wki s GLN 13 Ca 0.62 1.56 0.07 0.00 -1.95 0.00 0.00 55.36 55.66 1wki s GLN 13 Cb -0.16 -3.95 0.18 0.00 -0.22 0.00 0.00 33.01 28.87 1wki s GLN 13 CO 0.55 -1.13 0.66 0.50 -0.25 0.00 0.00 175.29 175.62 1wki s ARG 14 N 4.32 0.78 0.00 2.91 6.06 -1.26 -5.14 118.95 126.61 1wki s ARG 14 Ca 0.64 -0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 1wki s ARG 14 Cb -0.22 0.09 0.00 0.00 0.06 0.00 0.00 34.95 34.88 1wki s ARG 14 CO 0.25 -1.12 0.00 0.41 -2.50 0.00 0.00 175.30 172.34 1wki n GLY 15 N 4.34 0.83 0.00 8.12 0.00 -1.26 -5.08 105.19 112.13 1wki n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wki n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wki n ARG 16 N 0.00 0.80 -3.11 1.61 0.63 -1.26 -4.82 116.66 110.51 1wki n ARG 16 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1wki n ARG 16 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 1wki n ARG 16 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1wki n LEU 17 N 0.00 -4.76 -0.04 6.15 -0.00 -1.26 -4.93 117.00 112.15 1wki n LEU 17 Ca 0.00 0.55 -0.05 0.00 -0.00 0.00 0.00 56.01 56.52 1wki n LEU 17 Cb 0.00 -2.14 -0.14 0.00 -0.00 0.00 0.00 43.42 41.14 1wki n LEU 17 CO 0.00 -1.66 -0.78 0.29 -0.00 0.00 0.00 177.39 175.24 1wki n LYS 18 N 0.77 0.66 0.00 1.96 4.76 -1.26 -4.94 118.16 120.10 1wki n LYS 18 Ca -0.01 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1wki n LYS 18 Cb 0.42 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 19 N 1.56 -2.67 3.83 0.72 0.00 -1.26 -4.96 105.19 102.41 1wki n GLY 19 Ca -0.21 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.26 3.34 0.21 4.61 0.00 -1.26 -4.98 121.76 121.42 1wki s ALA 20 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.17 1wki s ALA 20 Cb 0.00 -2.84 0.14 0.00 0.00 0.00 0.00 23.12 20.42 1wki s ALA 20 CO 0.00 0.31 1.48 1.79 0.00 0.00 0.00 175.76 179.34 1wki h THR 21 N 2.38 1.49 -3.50 0.00 1.35 -1.95 -3.43 112.91 109.25 1wki h THR 21 Ca -0.48 -2.43 -0.67 0.00 -0.55 0.00 0.00 66.41 62.27 1wki h THR 21 Cb 1.18 2.32 -0.30 0.00 -1.73 0.00 0.00 68.15 69.62 1wki h THR 21 CO 0.65 0.70 -0.83 -0.75 -0.25 0.00 0.00 175.52 175.04 1wki s LYS 22 N -3.39 3.04 0.74 4.72 2.47 -1.26 -5.12 119.74 120.95 1wki s LYS 22 Ca -0.02 -0.80 -0.11 0.00 -1.56 0.00 0.00 55.97 53.48 1wki s LYS 22 Cb 0.11 -2.40 0.04 0.00 -1.46 0.00 0.00 37.83 34.12 1wki s LYS 22 CO 0.80 0.26 1.08 0.20 0.16 0.00 0.00 175.35 177.84 1wki s GLY 23 N 0.18 1.65 0.00 5.54 0.00 -1.26 -4.68 107.32 108.74 1wki s GLY 23 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1wki s GLY 23 CO 0.06 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1wki n GLY 24 N -1.97 -2.58 3.54 0.20 0.00 -1.26 -4.65 105.19 98.48 1wki n GLY 24 Ca 0.07 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 1wki n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wki n ASP 25 N -0.77 1.32 -3.52 1.61 5.68 -1.26 -4.78 116.55 114.83 1wki n ASP 25 Ca 0.00 -1.68 -0.27 0.00 -0.50 0.00 0.00 54.79 52.34 1wki n ASP 25 Cb 0.00 -1.57 -0.11 0.00 -1.14 0.00 0.00 41.12 38.31 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1wki s TYR 26 N 14.01 1.71 0.00 2.11 6.14 -1.26 -4.70 117.35 135.36 1wki s TYR 26 Ca 0.90 -2.58 0.00 0.00 0.64 0.00 0.00 57.07 56.03 1wki s TYR 26 Cb -0.16 -1.37 0.00 0.00 0.42 0.00 0.00 41.96 40.85 1wki s TYR 26 CO 0.14 -0.76 0.00 0.28 0.64 0.00 0.00 175.55 175.86 1wki n VAL 27 N 2.62 0.00 -1.33 3.14 0.31 -1.26 -4.87 118.33 116.94 1wki n VAL 27 Ca 0.27 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.76 1wki n VAL 27 Cb 0.45 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.31 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki n ALA 28 N 3.49 -3.54 -0.69 3.52 0.00 -1.26 -4.66 120.51 117.36 1wki n ALA 28 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1wki n ALA 28 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -4.04 0.00 -2.60 0.00 3.72 -1.26 -4.74 117.46 108.54 1wki n PHE 29 Ca -0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.13 1wki n PHE 29 Cb 0.64 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.26 1wki n PHE 29 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1wki s GLY 30 N 0.00 1.78 0.12 1.37 0.00 -1.26 -4.98 107.32 104.35 1wki s GLY 30 Ca 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.06 1wki s GLY 30 CO 0.00 -1.10 1.38 -0.55 0.00 0.00 0.00 173.10 172.82 1wki h ASP 31 N -0.28 0.94 -1.56 1.64 3.32 -1.46 -3.43 116.42 115.60 1wki h ASP 31 Ca -0.39 -0.55 -0.48 0.00 0.02 0.00 0.00 57.03 55.64 1wki h ASP 31 Cb 1.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1wki h ASP 31 CO 0.46 1.34 -0.37 -0.31 -1.72 0.00 0.00 179.24 178.64 1wki s TYR 32 N -3.98 2.76 -0.20 4.55 2.02 0.21 0.16 117.35 122.87 1wki s TYR 32 Ca -0.10 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.01 1wki s TYR 32 Cb 0.10 -2.15 0.06 0.00 -0.40 0.00 0.00 41.96 39.57 1wki s TYR 32 CO 0.89 -0.12 0.51 0.20 -1.57 0.00 0.00 175.55 175.46 1wki s GLY 33 N -4.15 -0.42 -0.46 0.71 0.00 0.15 -2.78 107.32 100.37 1wki s GLY 33 Ca 0.48 1.71 -0.18 0.00 0.00 0.00 0.00 44.72 46.73 1wki s GLY 33 CO 0.29 1.70 0.54 -2.27 0.00 0.00 0.00 173.10 173.35 1wki s LEU 34 N 1.05 4.94 -0.02 0.66 1.98 0.20 -1.39 118.68 126.10 1wki s LEU 34 Ca -0.06 -0.80 -0.04 0.00 -2.89 0.00 0.00 54.13 50.34 1wki s LEU 34 Cb -0.06 -2.43 -0.04 0.00 0.66 0.00 0.00 46.19 44.32 1wki s LEU 34 CO -0.10 -0.74 0.18 0.54 -1.89 0.00 0.00 176.35 174.35 1wki s VAL 35 N 2.37 5.44 -0.42 1.68 0.11 -1.00 -1.00 120.40 127.58 1wki s VAL 35 Ca 0.14 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1wki s VAL 35 Cb -0.18 -3.52 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1wki s VAL 35 CO 0.13 0.37 0.44 0.00 -3.33 0.00 0.00 175.10 172.71 1wki s ALA 36 N -1.28 3.43 -2.00 1.54 0.00 0.13 -1.94 121.76 121.64 1wki s ALA 36 Ca 0.25 -1.50 0.25 0.00 0.00 0.00 0.00 51.96 50.96 1wki s ALA 36 Cb -0.13 -3.05 1.47 0.00 0.00 0.00 0.00 23.12 21.42 1wki s ALA 36 CO 0.16 -1.58 1.89 1.28 0.00 0.00 0.00 175.76 177.52 1wki n LEU 37 N 5.60 0.00 -3.79 0.00 4.77 0.18 1.00 117.00 124.76 1wki n LEU 37 Ca -0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 1wki n LEU 37 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1wki n LEU 37 CO 0.46 0.00 -0.03 -0.70 -1.33 0.00 0.00 177.39 175.79 1wki s GLU 38 N -2.00 0.63 0.26 3.23 2.12 -1.24 -4.45 118.70 117.25 1wki s GLU 38 Ca 0.37 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.13 1wki s GLU 38 Cb 0.17 0.27 -0.10 0.00 0.26 0.00 0.00 34.13 34.74 1wki s GLU 38 CO 0.29 -0.17 1.36 -2.14 -0.54 0.00 0.00 175.26 174.06 1wki s PRO 39 N -1.45 4.33 0.26 4.30 0.02 -1.26 -4.40 135.00 136.81 1wki s PRO 39 Ca -0.13 2.20 -0.22 0.00 0.02 0.00 0.00 61.00 62.87 1wki s PRO 39 Cb -0.05 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.37 1wki s PRO 39 CO 0.03 -0.30 0.76 0.00 -0.33 0.00 0.00 177.00 177.16 1wki s ALA 40 N -0.28 -1.29 -0.35 -1.55 0.00 -1.17 -4.85 121.76 112.27 1wki s ALA 40 Ca 0.56 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 1wki s ALA 40 Cb -0.40 0.82 0.07 0.00 0.00 0.00 0.00 23.12 23.62 1wki s ALA 40 CO 0.44 -1.04 0.10 -1.58 0.00 0.00 0.00 175.76 173.68 1wki s TRP 41 N -3.82 3.40 -0.25 0.00 0.51 -1.26 -1.43 118.94 116.09 1wki s TRP 41 Ca 0.11 -2.02 -0.26 0.00 -2.12 0.00 0.00 56.10 51.81 1wki s TRP 41 Cb -0.05 -2.59 0.00 0.00 -0.81 0.00 0.00 33.47 30.01 1wki s TRP 41 CO 0.06 -0.86 0.90 0.42 -0.51 0.00 0.00 176.95 176.96 1wki s ILE 42 N 1.23 4.77 0.87 2.03 -1.09 -1.08 -4.75 121.20 123.19 1wki s ILE 42 Ca 0.01 1.68 -0.13 0.00 -2.23 0.00 0.00 60.65 59.97 1wki s ILE 42 Cb -0.21 -4.19 0.12 0.00 -1.58 0.00 0.00 42.46 36.60 1wki s ILE 42 CO -0.02 -0.14 1.20 0.42 -1.23 0.00 0.00 174.94 175.18 1wki s THR 43 N 3.00 1.99 0.18 2.92 -4.23 -1.26 -0.17 115.64 118.06 1wki s THR 43 Ca 0.38 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.76 1wki s THR 43 Cb -0.15 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.82 1wki s THR 43 CO 0.08 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.97 1wki h ALA 44 N -1.30 0.73 -0.73 3.99 0.00 -1.97 -2.63 119.26 117.34 1wki h ALA 44 Ca -0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1wki h ALA 44 Cb 1.31 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1wki h ALA 44 CO 0.58 0.21 0.39 1.96 0.00 0.00 0.00 179.25 182.40 1wki h GLN 45 N 0.77 1.02 -0.53 0.00 1.08 -1.94 -2.37 115.11 113.15 1wki h GLN 45 Ca 0.20 -0.12 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1wki h GLN 45 Cb -0.01 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 1wki h GLN 45 CO -0.04 0.76 0.35 1.96 -0.95 0.00 0.00 178.83 180.91 1wki h GLN 46 N 1.02 0.58 0.05 1.46 4.20 -1.84 2.32 115.11 122.91 1wki h GLN 46 Ca 0.26 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 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 -0.04 0.39 -0.03 0.82 -0.67 0.00 0.00 178.83 179.30 1wki h ILE 47 N 0.60 1.25 0.08 2.54 2.04 -1.37 -2.53 117.51 120.13 1wki h ILE 47 Ca 0.21 -1.11 -0.18 0.00 1.00 0.00 0.00 64.86 64.78 1wki h ILE 47 Cb 0.10 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1wki h ILE 47 CO -0.05 0.28 -0.88 -0.08 0.00 0.00 0.00 178.15 177.41 1wki h GLU 48 N -0.58 0.17 -0.44 2.37 4.57 -1.30 -3.05 114.58 116.33 1wki h GLU 48 Ca -0.01 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1wki h GLU 48 Cb 0.51 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 1wki h GLU 48 CO 0.01 1.14 0.13 0.00 -1.18 0.00 0.00 179.01 179.12 1wki h ALA 49 N -0.05 0.52 -0.63 2.92 0.00 0.37 -0.56 119.26 121.82 1wki h ALA 49 Ca -0.19 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1wki h ALA 49 Cb 1.49 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1wki h ALA 49 CO 0.04 -0.26 0.09 0.00 0.00 0.00 0.00 179.25 179.12 1wki h ALA 50 N 1.31 0.84 -0.71 0.00 0.00 -1.48 -2.89 119.26 116.32 1wki h ALA 50 Ca 0.21 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wki h ALA 50 Cb 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1wki h ALA 50 CO -0.24 0.61 0.46 0.00 0.00 0.00 0.00 179.25 180.08 1wki h ARG 51 N 0.97 0.90 -0.83 0.00 3.08 -1.26 -1.61 114.38 115.63 1wki h ARG 51 Ca 0.19 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.23 1wki h ARG 51 Cb 0.44 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1wki h ARG 51 CO 0.01 0.60 0.52 0.28 -1.07 0.00 0.00 179.97 180.31 1wki h VAL 52 N 0.93 1.10 -0.49 2.04 2.07 -0.93 0.23 116.25 121.19 1wki h VAL 52 Ca 0.27 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 1wki h VAL 52 Cb -0.06 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 1wki h VAL 52 CO -0.08 0.18 -0.13 0.00 0.02 0.00 0.00 177.57 177.56 1wki h ALA 53 N 1.36 0.85 -0.10 1.67 0.00 -1.24 -2.54 119.26 119.26 1wki h ALA 53 Ca 0.34 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1wki h ALA 53 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wki h ALA 53 CO -0.13 0.65 -0.18 0.52 0.00 0.00 0.00 179.25 180.10 1wki h MET 54 N 0.82 0.30 -0.70 0.00 2.07 -0.69 -2.55 114.93 114.18 1wki h MET 54 Ca 0.13 -0.19 0.08 0.00 -2.07 0.00 0.00 59.70 57.65 1wki h MET 54 Cb 0.67 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.37 1wki h MET 54 CO 0.05 0.77 0.46 0.28 1.07 0.00 0.00 176.91 179.54 1wki h VAL 55 N -0.14 0.97 0.00 -2.22 2.07 -0.56 -0.75 116.25 115.62 1wki h VAL 55 Ca 0.01 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1wki h VAL 55 Cb 0.76 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1wki h VAL 55 CO 0.04 0.12 -0.71 0.03 0.02 0.00 0.00 177.57 177.07 1wki h ARG 56 N 0.65 0.00 0.28 1.57 3.08 -1.43 -3.30 114.38 115.22 1wki h ARG 56 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1wki h ARG 56 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1wki h ARG 56 CO -0.11 0.71 -0.13 1.25 -1.07 0.00 0.00 179.97 180.62 1wki h HIS 57 N 0.00 -0.34 -1.29 3.04 2.76 -0.70 -3.42 115.15 115.19 1wki h HIS 57 Ca -0.01 -0.01 -0.70 0.00 -2.20 0.00 0.00 60.37 57.45 1wki h HIS 57 Cb 1.31 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 30.38 1wki h HIS 57 CO 0.00 -0.08 1.17 1.19 -1.30 0.00 0.00 177.93 178.92 1wki n PHE 58 N -5.16 1.83 -0.09 5.26 3.72 -1.03 -4.84 117.46 117.16 1wki n PHE 58 Ca -0.10 0.39 -0.15 0.00 -0.05 0.00 0.00 57.45 57.55 1wki n PHE 58 Cb 0.23 -2.50 -0.04 0.00 -0.94 0.00 0.00 39.48 36.23 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 9.73 0.85 -1.03 -1.08 -0.00 -1.90 -3.11 114.38 117.85 1wki h ARG 59 Ca -0.36 -0.52 -0.52 0.00 -0.50 0.00 0.00 59.98 58.08 1wki h ARG 59 Cb 1.32 0.05 -0.28 0.00 0.00 0.00 0.00 29.97 31.07 1wki h ARG 59 CO 0.99 1.16 0.66 0.54 0.00 0.00 0.00 179.97 183.32 1wki n ARG 60 N -4.06 2.26 -0.98 0.04 5.12 -1.26 -5.04 116.66 112.74 1wki n ARG 60 Ca -0.04 -2.82 0.13 0.00 -1.93 0.00 0.00 57.85 53.19 1wki n ARG 60 Cb 0.59 -2.10 -0.04 0.00 -1.16 0.00 0.00 32.46 29.75 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wki n GLY 61 N -0.91 -1.99 0.00 -0.13 0.00 -1.18 -4.97 105.19 96.01 1wki n GLY 61 Ca 0.55 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.40 2.75 3.34 -0.02 0.00 -1.26 -4.60 105.19 102.00 1wki n GLY 62 Ca -0.01 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 1.26 -0.11 1.61 -2.85 -1.26 -4.90 119.74 111.49 1wki s LYS 63 Ca 0.00 -1.27 0.02 0.00 -1.00 0.00 0.00 55.97 53.73 1wki s LYS 63 Cb 0.00 -1.61 0.01 0.00 -2.06 0.00 0.00 37.83 34.17 1wki s LYS 63 CO 0.00 0.37 -0.18 0.42 0.10 0.00 0.00 175.35 176.06 1wki s ILE 64 N -1.20 1.68 -0.42 3.79 1.01 -1.26 -3.13 121.20 121.67 1wki s ILE 64 Ca 0.11 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 1wki s ILE 64 Cb -0.10 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.89 1wki s ILE 64 CO 0.05 0.48 0.38 -0.36 0.00 0.00 0.00 174.94 175.49 1wki s PHE 65 N 0.77 3.20 0.06 3.97 0.08 0.98 -4.92 117.98 122.13 1wki s PHE 65 Ca -0.10 -0.52 -0.16 0.00 0.12 0.00 0.00 56.93 56.27 1wki s PHE 65 Cb -0.16 -2.81 -0.06 0.00 -0.57 0.00 0.00 43.02 39.42 1wki s PHE 65 CO 0.01 -0.67 0.49 0.42 -0.10 0.00 0.00 175.22 175.37 1wki s ILE 66 N 1.91 4.90 -0.07 0.64 -1.09 -1.26 -2.47 121.20 123.77 1wki s ILE 66 Ca 0.08 0.93 0.06 0.00 -2.23 0.00 0.00 60.65 59.50 1wki s ILE 66 Cb -0.19 -3.77 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 1wki s ILE 66 CO 0.11 0.48 0.02 0.54 -1.23 0.00 0.00 174.94 174.87 1wki n ARG 67 N 1.51 2.76 -1.99 2.79 1.74 -0.98 -5.03 116.66 117.46 1wki n ARG 67 Ca -0.11 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.63 1wki n ARG 67 Cb 0.52 -1.18 0.03 0.00 -1.02 0.00 0.00 32.46 30.81 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 -2.17 3.07 -0.18 0.55 -4.36 -1.26 -5.06 121.20 111.80 1wki s ILE 68 Ca -0.04 0.59 -0.13 0.00 -0.26 0.00 0.00 60.65 60.82 1wki s ILE 68 Cb 0.02 -3.17 0.05 0.00 1.25 0.00 0.00 42.46 40.62 1wki s ILE 68 CO 0.28 -0.22 0.45 0.12 0.24 0.00 0.00 174.94 175.81 1wki s PHE 69 N -1.98 -0.58 -0.17 1.37 5.36 -1.26 -5.09 117.98 115.63 1wki s PHE 69 Ca 0.71 1.31 -0.29 0.00 -0.96 0.00 0.00 56.93 57.70 1wki s PHE 69 Cb -0.24 0.25 -0.05 0.00 -0.34 0.00 0.00 43.02 42.64 1wki s PHE 69 CO 0.34 -0.31 1.86 -2.14 -1.46 0.00 0.00 175.22 173.52 1wki s PRO 70 N 0.88 3.68 0.00 10.12 0.02 -1.26 -4.36 135.00 144.07 1wki s PRO 70 Ca -0.05 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1wki s PRO 70 Cb -0.06 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.30 1wki s PRO 70 CO -0.07 -1.46 0.00 -3.47 -0.33 0.00 0.00 177.00 171.67 1wki n ASP 71 N 9.17 0.23 -4.77 2.53 -0.08 -1.02 -4.80 116.55 117.81 1wki n ASP 71 Ca 0.22 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.11 1wki n ASP 71 Cb 0.44 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.90 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 -1.84 3.87 0.79 -0.67 3.01 -0.72 -4.80 119.74 119.38 1wki s LYS 72 Ca 0.00 2.02 -0.11 0.00 -1.01 0.00 0.00 55.97 56.87 1wki s LYS 72 Cb 0.00 -2.63 0.06 0.00 -1.01 0.00 0.00 37.83 34.25 1wki s LYS 72 CO 0.00 -0.53 1.09 -1.25 0.51 0.00 0.00 175.35 175.17 1wki s PRO 73 N -2.39 2.18 -0.41 -1.68 0.04 -1.26 -1.02 135.00 130.45 1wki s PRO 73 Ca 0.59 0.81 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1wki s PRO 73 Cb -0.35 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.40 1wki s PRO 73 CO 0.44 -1.60 0.19 -0.47 0.04 0.00 0.00 177.00 175.60 1wki s TYR 74 N -3.06 2.32 -0.05 0.56 6.14 -1.05 -4.67 117.35 117.54 1wki s TYR 74 Ca 0.61 -2.47 0.06 0.00 0.64 0.00 0.00 57.07 55.90 1wki s TYR 74 Cb -0.15 -2.12 -0.01 0.00 0.42 0.00 0.00 41.96 40.09 1wki s TYR 74 CO 0.55 -0.81 -0.24 0.95 0.64 0.00 0.00 175.55 176.64 1wki s THR 75 N 0.57 2.20 -0.17 4.34 -4.23 -1.26 -1.74 115.64 115.35 1wki s THR 75 Ca 0.15 -1.02 -0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1wki s THR 75 Cb -0.23 -1.80 0.07 0.00 1.34 0.00 0.00 72.50 71.88 1wki s THR 75 CO -0.06 0.57 0.36 -0.54 -0.54 0.00 0.00 174.62 174.42 1wki s LYS 76 N -0.26 0.28 -0.45 3.99 1.02 -1.26 -5.08 119.74 117.98 1wki s LYS 76 Ca -0.00 0.86 0.03 0.00 0.02 0.00 0.00 55.97 56.88 1wki s LYS 76 Cb -0.13 0.12 0.12 0.00 -0.52 0.00 0.00 37.83 37.42 1wki s LYS 76 CO 0.03 -0.23 0.18 0.15 -0.92 0.00 0.00 175.35 174.56 1wki s LYS 77 N 2.18 1.80 0.11 1.68 3.01 -1.26 -4.96 119.74 122.30 1wki s LYS 77 Ca -0.03 -2.29 -0.13 0.00 -1.01 0.00 0.00 55.97 52.50 1wki s LYS 77 Cb -0.11 -3.30 -0.10 0.00 -1.01 0.00 0.00 37.83 33.30 1wki s LYS 77 CO -0.11 -1.04 1.38 -1.00 0.51 0.00 0.00 175.35 175.09 1wki h PRO 78 N 7.02 0.82 -6.79 -1.68 0.13 -1.99 -3.41 132.00 126.10 1wki h PRO 78 Ca -0.06 -0.53 -0.49 0.00 -0.87 0.00 0.00 66.00 64.04 1wki h PRO 78 Cb 0.95 0.07 0.02 0.00 0.13 0.00 0.00 31.00 32.16 1wki h PRO 78 CO 0.62 1.16 0.03 -0.51 -0.23 0.00 0.00 178.00 179.08 1wki s LEU 79 N -8.70 3.79 0.00 1.56 1.43 -1.26 -4.96 118.68 110.54 1wki s LEU 79 Ca -0.11 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1wki s LEU 79 Cb 0.09 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1wki s LEU 79 CO 0.88 -0.44 0.00 -1.84 0.23 0.00 0.00 176.35 175.18 1wki n GLU 80 N -1.75 0.00 -2.34 1.70 0.28 -1.26 -4.61 120.64 112.66 1wki n GLU 80 Ca -0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1wki n GLU 80 Cb 0.55 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.39 1wki n GLU 80 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1wki s VAL 81 N 0.00 3.22 -0.08 3.84 -7.23 -1.26 -5.04 120.40 113.85 1wki s VAL 81 Ca 0.00 1.12 0.02 0.00 -1.81 0.00 0.00 61.98 61.31 1wki s VAL 81 Cb 0.00 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.25 1wki s VAL 81 CO 0.00 0.18 -0.12 0.00 -0.31 0.00 0.00 175.10 174.85 1wki s ARG 82 N -1.95 2.82 0.10 4.82 1.70 -1.26 -4.97 118.95 120.22 1wki s ARG 82 Ca 0.52 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 1wki s ARG 82 Cb -0.32 -2.50 0.00 0.00 -0.57 0.00 0.00 34.95 31.56 1wki s ARG 82 CO 0.41 0.51 0.00 -0.12 -1.08 0.00 0.00 175.30 175.02 1wki n MET 83 N 2.66 0.00 -1.44 3.89 1.56 -1.26 -5.06 117.12 117.47 1wki n MET 83 Ca -0.18 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.25 1wki n MET 83 Cb 0.52 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.89 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 -0.26 -4.70 0.88 -5.12 0.00 -1.26 -4.91 105.19 89.83 1wki n GLY 84 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.61 1wki n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 85 N 0.85 2.86 -1.12 1.61 3.00 -1.26 -4.94 118.16 119.17 1wki n LYS 85 Ca 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 58.31 56.03 1wki n LYS 85 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 33.64 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 0.83 0.80 3.09 3.14 0.00 -1.26 -5.06 105.19 106.73 1wki n GLY 86 Ca 0.16 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.46 0.26 0.00 1.61 2.47 -1.26 -5.11 119.74 115.24 1wki s LYS 87 Ca 0.00 0.82 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 1wki s LYS 87 Cb 0.00 0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1wki s LYS 87 CO 0.00 -0.34 0.00 0.41 0.16 0.00 0.00 175.35 175.58 1wki n GLY 88 N 5.37 0.24 3.55 5.54 0.00 -1.26 -5.06 105.19 113.57 1wki n GLY 88 Ca -0.07 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 6.45 0.06 1.61 2.47 -1.26 -5.04 114.94 115.23 1wki s ASN 89 Ca 0.00 0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.32 1wki s ASN 89 Cb 0.00 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.37 1wki s ASN 89 CO 0.00 -0.89 0.15 0.54 -3.72 0.00 0.00 177.10 173.18 1wki s VAL 90 N 3.29 5.00 -0.56 -5.21 0.11 -1.26 -4.95 120.40 116.82 1wki s VAL 90 Ca 0.31 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1wki s VAL 90 Cb -0.12 -3.41 0.34 0.00 -1.53 0.00 0.00 36.38 31.65 1wki s VAL 90 CO 0.22 0.16 2.09 -0.62 -3.33 0.00 0.00 175.10 173.61 1wki n GLU 91 N 0.46 2.39 0.00 1.54 -0.58 -0.71 -5.01 120.64 118.73 1wki n GLU 91 Ca -0.07 -2.69 0.00 0.00 -0.42 0.00 0.00 57.16 53.98 1wki n GLU 91 Cb 0.51 -2.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 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 -0.34 -2.88 3.69 0.62 0.00 -1.26 -4.83 105.19 100.18 1wki n GLY 92 Ca 0.51 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.90 2.86 0.10 1.61 1.51 -1.26 -2.52 117.35 118.74 1wki s TYR 93 Ca 0.00 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1wki s TYR 93 Cb 0.00 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1wki s TYR 93 CO 0.00 0.55 0.07 0.14 -1.11 0.00 0.00 175.55 175.19 1wki s VAL 94 N -1.94 0.15 -0.40 0.71 -7.23 -0.19 -3.86 120.40 107.63 1wki s VAL 94 Ca 0.29 -1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 58.70 1wki s VAL 94 Cb -0.08 -1.72 0.09 0.00 0.56 0.00 0.00 36.38 35.23 1wki s VAL 94 CO 0.20 -0.68 0.21 0.00 -0.31 0.00 0.00 175.10 174.53 1wki s ALA 95 N -3.96 3.18 0.24 1.32 0.00 0.76 -1.75 121.76 121.55 1wki s ALA 95 Ca 0.14 -2.31 -0.31 0.00 0.00 0.00 0.00 51.96 49.47 1wki s ALA 95 Cb 0.07 -2.48 -0.12 0.00 0.00 0.00 0.00 23.12 20.59 1wki s ALA 95 CO -0.05 -1.70 1.68 0.28 0.00 0.00 0.00 175.76 175.98 1wki n VAL 96 N 4.74 0.35 -4.36 0.00 0.31 -1.26 -2.62 118.33 115.48 1wki n VAL 96 Ca -0.07 -0.09 -0.19 0.00 -0.01 0.00 0.00 64.34 63.99 1wki n VAL 96 Cb 0.42 -1.97 -0.10 0.00 -0.91 0.00 0.00 33.84 31.28 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 0.77 1.67 0.16 2.52 1.01 -0.51 -4.99 120.40 121.03 1wki s VAL 97 Ca 0.71 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 60.56 1wki s VAL 97 Cb -0.50 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1wki s VAL 97 CO 0.38 -0.51 -0.11 -0.54 0.00 0.00 0.00 175.10 174.32 1wki s LYS 98 N -3.68 1.11 -0.26 2.72 1.02 -1.26 -3.04 119.74 116.36 1wki s LYS 98 Ca 0.24 -1.48 -0.33 0.00 0.02 0.00 0.00 55.97 54.42 1wki s LYS 98 Cb 0.01 -0.71 -0.10 0.00 -0.52 0.00 0.00 37.83 36.51 1wki s LYS 98 CO 0.08 0.09 2.13 -2.30 -0.92 0.00 0.00 175.35 174.43 1wki n PRO 99 N -0.24 1.55 0.00 -1.68 -0.02 -1.22 -2.06 135.00 131.33 1wki n PRO 99 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1wki n PRO 99 Cb 0.61 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 5.83 2.00 3.30 -1.23 0.00 0.28 -4.92 105.19 110.46 1wki n GLY 100 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 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 3.12 -0.64 1.61 3.00 -0.88 -4.84 118.95 119.54 1wki s ARG 101 Ca 0.00 -0.82 -0.26 0.00 -1.00 0.00 0.00 55.73 53.65 1wki s ARG 101 Cb 0.00 -3.18 0.04 0.00 0.00 0.00 0.00 34.95 31.81 1wki s ARG 101 CO 0.00 -0.36 1.15 0.08 0.00 0.00 0.00 175.30 176.17 1wki s VAL 102 N 1.45 4.03 -0.12 7.11 1.01 -1.26 -0.69 120.40 131.93 1wki s VAL 102 Ca 0.03 0.47 0.17 0.00 0.00 0.00 0.00 61.98 62.65 1wki s VAL 102 Cb -0.16 -4.75 -0.20 0.00 0.00 0.00 0.00 36.38 31.27 1wki s VAL 102 CO -0.01 -1.48 0.58 1.15 0.00 0.00 0.00 175.10 175.34 1wki n MET 103 N 8.48 0.64 -4.33 2.72 0.00 -0.17 -4.73 117.12 119.73 1wki n MET 103 Ca 0.04 0.14 -0.23 0.00 0.00 0.00 0.00 57.70 57.65 1wki n MET 103 Cb 0.48 -1.71 -0.12 0.00 0.00 0.00 0.00 33.22 31.87 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 -2.81 1.88 -0.25 3.17 0.40 -1.18 -2.33 117.98 116.85 1wki s PHE 104 Ca -0.05 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.79 1wki s PHE 104 Cb 0.08 -0.97 0.13 0.00 0.51 0.00 0.00 43.02 42.77 1wki s PHE 104 CO 0.83 0.31 0.50 -1.21 0.70 0.00 0.00 175.22 176.34 1wki s GLU 105 N -2.45 0.44 0.08 0.44 8.01 -1.03 0.62 118.70 124.80 1wki s GLU 105 Ca 0.13 0.99 0.03 0.00 0.01 0.00 0.00 54.97 56.14 1wki s GLU 105 Cb -0.08 0.29 -0.04 0.00 -4.31 0.00 0.00 34.13 29.99 1wki s GLU 105 CO 0.06 -0.42 0.06 0.14 0.01 0.00 0.00 175.26 175.11 1wki s VAL 106 N 2.71 4.43 -0.07 2.63 -7.23 -1.12 -0.01 120.40 121.73 1wki s VAL 106 Ca 0.06 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 1wki s VAL 106 Cb -0.14 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 33.70 1wki s VAL 106 CO -0.17 0.12 0.23 0.00 -0.31 0.00 0.00 175.10 174.97 1wki s ALA 107 N -1.38 -0.56 0.00 1.32 0.00 -1.18 -0.62 121.76 119.33 1wki s ALA 107 Ca 0.29 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1wki s ALA 107 Cb -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1wki s ALA 107 CO 0.21 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1wki n GLY 108 N 2.71 3.15 3.89 0.00 0.00 -1.26 -4.04 105.19 109.64 1wki n GLY 108 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 4.86 1.14 1.61 -7.23 -1.26 -5.00 120.40 111.64 1wki s VAL 109 Ca 0.00 0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 60.40 1wki s VAL 109 Cb 0.00 -3.84 0.26 0.00 0.56 0.00 0.00 36.38 33.36 1wki s VAL 109 CO 0.00 -0.83 1.06 0.42 -0.31 0.00 0.00 175.10 175.45 1wki s THR 110 N -2.73 1.82 0.21 5.32 -4.23 -1.26 -4.71 115.64 110.05 1wki s THR 110 Ca 0.49 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.97 1wki s THR 110 Cb -0.10 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 1wki s THR 110 CO 0.43 0.00 1.56 -0.08 -0.54 0.00 0.00 174.62 175.99 1wki h GLU 111 N -2.43 0.60 -0.32 3.99 4.22 -1.97 0.12 114.58 118.79 1wki h GLU 111 Ca -0.53 -0.33 -0.11 0.00 0.08 0.00 0.00 59.36 58.47 1wki h GLU 111 Cb 1.33 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1wki h GLU 111 CO 0.47 0.92 -0.24 0.93 -2.18 0.00 0.00 179.01 178.92 1wki h GLU 112 N 0.48 0.73 -0.03 1.92 3.07 -1.98 0.85 114.58 119.62 1wki h GLU 112 Ca 0.03 -0.36 -0.23 0.00 -0.50 0.00 0.00 59.36 58.31 1wki h GLU 112 Cb 0.97 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.88 1wki h GLU 112 CO 0.09 0.97 -0.91 1.96 -1.40 0.00 0.00 179.01 179.72 1wki h GLN 113 N 0.50 0.54 -0.07 2.33 4.20 -1.91 -2.12 115.11 118.57 1wki h GLN 113 Ca 0.06 -0.53 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 1wki h GLN 113 Cb 0.80 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1wki h GLN 113 CO 0.06 1.16 -0.08 0.00 -0.67 0.00 0.00 178.83 179.31 1wki h ALA 114 N 0.66 0.10 -0.16 3.87 0.00 -0.76 0.67 119.26 123.65 1wki h ALA 114 Ca -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wki h ALA 114 Cb 1.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1wki h ALA 114 CO 0.17 -0.08 0.07 0.52 0.00 0.00 0.00 179.25 179.93 1wki h MET 115 N -0.27 0.23 -0.11 0.00 2.86 -0.91 0.18 114.93 116.92 1wki h MET 115 Ca 0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wki h MET 115 Cb 0.60 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 1wki h MET 115 CO 0.02 0.29 0.04 1.49 1.06 0.00 0.00 176.91 179.80 1wki h GLU 116 N 0.12 0.16 -0.19 1.72 4.81 -1.44 -0.54 114.58 119.22 1wki h GLU 116 Ca 0.05 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1wki h GLU 116 Cb 0.14 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1wki h GLU 116 CO -0.01 0.28 0.07 0.00 -0.73 0.00 0.00 179.01 178.62 1wki h ALA 117 N 0.87 0.21 -0.03 2.92 0.00 -0.77 0.13 119.26 122.59 1wki h ALA 117 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wki h ALA 117 Cb 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wki h ALA 117 CO -0.00 -0.36 -0.04 -0.07 0.00 0.00 0.00 179.25 178.78 1wki h LEU 118 N 0.16 0.04 -0.11 0.00 4.07 -0.54 -1.95 115.31 116.97 1wki h LEU 118 Ca 0.08 -0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.81 1wki h LEU 118 Cb 0.04 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.79 1wki h LEU 118 CO -0.08 0.09 -0.81 0.03 -1.08 0.00 0.00 178.44 176.59 1wki h ARG 119 N 0.04 0.75 -0.47 1.13 3.08 -0.00 -3.07 114.38 115.84 1wki h ARG 119 Ca 0.01 -0.66 0.05 0.00 0.07 0.00 0.00 59.98 59.45 1wki h ARG 119 Cb 0.10 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1wki h ARG 119 CO 0.01 1.26 0.21 0.82 -1.07 0.00 0.00 179.97 181.19 1wki h ILE 120 N 0.47 0.91 -0.60 2.04 2.04 -0.02 0.35 117.51 122.69 1wki h ILE 120 Ca -0.07 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1wki h ILE 120 Cb 1.45 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1wki h ILE 120 CO 0.17 0.07 0.34 0.00 0.00 0.00 0.00 178.15 178.73 1wki h ALA 121 N 1.28 0.79 0.00 1.87 0.00 -1.50 -1.50 119.26 120.20 1wki h ALA 121 Ca 0.21 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1wki h ALA 121 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wki h ALA 121 CO -0.18 0.03 -0.16 0.78 0.00 0.00 0.00 179.25 179.72 1wki h GLY 122 N 0.64 0.00 1.32 0.00 0.00 -1.28 -3.16 103.07 100.59 1wki h GLY 122 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1wki h GLY 122 CO -0.15 0.00 0.45 0.84 0.00 0.00 0.00 176.54 177.68 1wki h HIS 123 N 0.00 0.84 -0.05 5.60 6.17 0.76 -0.34 115.15 128.13 1wki h HIS 123 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.85 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 30.50 1wki h HIS 123 CO 0.00 0.52 0.00 0.36 0.71 0.00 0.00 177.93 179.52 1wki n LYS 124 N -4.44 1.62 -2.31 5.26 0.00 -1.18 -4.91 118.16 112.20 1wki n LYS 124 Ca 0.07 -0.91 -0.28 0.00 -0.00 0.00 0.00 58.31 57.19 1wki n LYS 124 Cb 0.05 -1.46 0.01 0.00 -0.00 0.00 0.00 35.03 33.63 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 -1.90 3.38 -0.16 -5.58 1.43 -0.14 -4.98 118.68 110.74 1wki s LEU 125 Ca 0.37 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.59 1wki s LEU 125 Cb 0.20 -3.99 0.47 0.00 0.03 0.00 0.00 46.19 42.90 1wki s LEU 125 CO 0.32 -0.81 1.28 -0.81 0.23 0.00 0.00 176.35 176.55 1wki n PRO 126 N -2.52 3.05 -3.91 1.29 -0.04 -1.26 -4.90 135.00 126.70 1wki n PRO 126 Ca 0.03 -1.83 -0.09 0.00 -0.04 0.00 0.00 63.50 61.57 1wki n PRO 126 Cb 0.55 -1.91 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 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 -2.01 0.03 -0.08 0.52 -5.25 -1.26 -4.90 121.20 108.24 1wki s ILE 127 Ca 0.32 -1.22 -0.27 0.00 -0.99 0.00 0.00 60.65 58.50 1wki s ILE 127 Cb 0.25 -1.92 -0.03 0.00 2.95 0.00 0.00 42.46 43.71 1wki s ILE 127 CO 0.09 -0.12 0.86 -0.75 -1.79 0.00 0.00 174.94 173.23 1wki s LYS 128 N -3.96 4.43 0.14 0.37 2.36 -1.26 -4.90 119.74 116.92 1wki s LYS 128 Ca 0.17 1.15 0.08 0.00 -2.55 0.00 0.00 55.97 54.81 1wki s LYS 128 Cb 0.00 -3.50 -0.04 0.00 -1.05 0.00 0.00 37.83 33.25 1wki s LYS 128 CO 0.03 -0.13 -0.17 0.95 1.55 0.00 0.00 175.35 177.58 1wki s THR 129 N 1.40 1.63 0.07 3.43 -4.23 -1.26 0.50 115.64 117.17 1wki s THR 129 Ca 0.43 -1.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1wki s THR 129 Cb -0.18 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.95 1wki s THR 129 CO 0.19 -0.30 -0.08 -1.59 -0.54 0.00 0.00 174.62 172.31 1wki s LYS 130 N -2.57 0.67 0.06 3.99 -2.85 -0.82 -4.95 119.74 113.27 1wki s LYS 130 Ca 0.11 -1.02 -0.25 0.00 -1.00 0.00 0.00 55.97 53.82 1wki s LYS 130 Cb -0.06 -0.28 -0.06 0.00 -2.06 0.00 0.00 37.83 35.37 1wki s LYS 130 CO 0.05 0.03 0.75 0.42 0.10 0.00 0.00 175.35 176.70 1wki s ILE 131 N -2.35 4.70 -0.10 3.79 -1.09 -1.26 -2.36 121.20 122.52 1wki s ILE 131 Ca -0.00 1.61 -0.05 0.00 -2.23 0.00 0.00 60.65 59.98 1wki s ILE 131 Cb -0.03 -4.10 0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1wki s ILE 131 CO -0.02 0.39 0.24 0.68 -1.23 0.00 0.00 174.94 175.00 1wki s VAL 132 N -0.20 -0.10 0.94 2.92 -7.23 -0.49 -4.97 120.40 111.26 1wki s VAL 132 Ca 0.38 0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.61 1wki s VAL 132 Cb -0.21 -0.38 0.15 0.00 0.56 0.00 0.00 36.38 36.51 1wki s VAL 132 CO 0.23 0.07 1.09 -0.60 -0.31 0.00 0.00 175.10 175.58 1wki s ARG 133 N 1.46 0.93 0.00 4.82 3.52 -1.26 0.32 118.95 128.74 1wki s ARG 133 Ca -0.07 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 1wki s ARG 133 Cb -0.11 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.51 1wki s ARG 133 CO -0.08 -2.48 0.03 -2.13 -0.81 0.00 0.00 175.30 169.83 1wki n ARG 134 N -4.05 0.03 -0.49 5.12 0.00 0.43 -1.69 116.66 116.01 1wki n ARG 134 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.91 1wki n ARG 134 Cb 0.55 -1.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.00 1wki n ARG 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1wki n ASP 135 N -0.47 -0.18 -4.04 6.15 8.00 -1.26 -4.84 116.55 119.91 1wki n ASP 135 Ca 0.00 -0.91 -0.33 0.00 0.71 0.00 0.00 54.79 54.25 1wki n ASP 135 Cb 0.00 0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.03 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wki s ALA 136 N 0.00 3.29 -0.21 2.24 0.00 -0.68 -5.06 121.76 121.34 1wki s ALA 136 Ca 0.00 -2.99 -0.00 0.00 0.00 0.00 0.00 51.96 48.97 1wki s ALA 136 Cb 0.00 -2.34 0.06 0.00 0.00 0.00 0.00 23.12 20.84 1wki s ALA 136 CO 0.00 -1.94 -0.03 0.71 0.00 0.00 0.00 175.76 174.50 1wki s TYR 137 N 0.29 1.94 -0.63 0.00 1.51 -1.26 -4.01 117.35 115.19 1wki s TYR 137 Ca 0.14 -1.42 -0.08 0.00 -1.01 0.00 0.00 57.07 54.70 1wki s TYR 137 Cb -0.22 -1.40 0.16 0.00 -0.11 0.00 0.00 41.96 40.39 1wki s TYR 137 CO -0.03 -0.71 0.50 0.34 -1.11 0.00 0.00 175.55 174.54 1wki s ASP 138 N 1.55 5.81 0.75 2.29 2.15 -1.26 -5.08 116.67 122.88 1wki s ASP 138 Ca -0.03 -2.51 -0.11 0.00 0.43 0.00 0.00 52.55 50.32 1wki s ASP 138 Cb -0.18 -2.00 0.04 0.00 -0.30 0.00 0.00 42.92 40.48 1wki s ASP 138 CO -0.07 -0.53 1.10 -1.61 -0.17 0.00 0.00 175.17 173.89 1wki s GLU 139 N 0.45 2.51 -0.37 4.34 0.41 -1.26 -5.05 118.70 119.74 1wki s GLU 139 Ca 0.14 0.57 0.02 0.00 -0.41 0.00 0.00 54.97 55.29 1wki s GLU 139 Cb -0.19 -1.97 0.11 0.00 -1.78 0.00 0.00 34.13 30.29 1wki s GLU 139 CO -0.04 -1.30 0.10 0.00 -0.49 0.00 0.00 175.26 173.53 1wki s ALA 140 N -3.25 2.99 0.00 5.21 0.00 -1.26 -5.35 121.76 120.10 1wki s ALA 140 Ca 0.59 -2.60 0.00 0.00 0.00 0.00 0.00 51.96 49.95 1wki s ALA 140 Cb -0.13 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1wki s ALA 140 CO 0.53 -1.74 0.00 1.04 0.00 0.00 0.00 175.76 175.59