#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 2.72 0.02 4.03 1.02 -1.26 -5.16 118.68 120.05 1wki s LEU 2 Ca 0.00 -1.34 0.03 0.00 0.02 0.00 0.00 54.13 52.85 1wki s LEU 2 Cb 0.00 -0.81 -0.02 0.00 0.02 0.00 0.00 46.19 45.38 1wki s LEU 2 CO 0.00 -0.44 -0.10 0.00 0.02 0.00 0.00 176.35 175.83 1wki s MET 3 N -3.73 0.71 -0.54 1.70 0.23 -1.26 -5.10 119.30 111.31 1wki s MET 3 Ca 0.35 -0.58 -0.28 0.00 -1.03 0.00 0.00 55.69 54.15 1wki s MET 3 Cb 0.08 -0.65 0.00 0.00 -1.53 0.00 0.00 34.83 32.74 1wki s MET 3 CO 0.17 0.16 1.54 -1.25 -2.03 0.00 0.00 175.02 173.61 1wki s PRO 4 N -0.91 3.20 -0.02 3.16 0.04 -1.26 -4.99 135.00 134.22 1wki s PRO 4 Ca -0.01 0.61 -0.20 0.00 0.04 0.00 0.00 61.00 61.44 1wki s PRO 4 Cb -0.07 -4.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 1wki s PRO 4 CO 0.01 -2.05 0.59 0.50 0.04 0.00 0.00 177.00 176.08 1wki s ARG 5 N 5.77 4.32 -0.05 4.56 3.52 -1.26 -4.95 118.95 130.86 1wki s ARG 5 Ca 0.58 0.71 0.22 0.00 -0.13 0.00 0.00 55.73 57.12 1wki s ARG 5 Cb -0.13 -3.35 0.39 0.00 -1.56 0.00 0.00 34.95 30.30 1wki s ARG 5 CO 0.25 0.34 1.15 0.54 -0.81 0.00 0.00 175.30 176.77 1wki n ARG 6 N 2.85 0.29 -1.95 5.12 1.74 -1.26 -5.11 116.66 118.34 1wki n ARG 6 Ca -0.07 -2.09 -0.29 0.00 -0.77 0.00 0.00 57.85 54.64 1wki n ARG 6 Cb 0.51 -0.17 0.11 0.00 -1.02 0.00 0.00 32.46 31.89 1wki n ARG 6 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1wki s MET 7 N -0.56 1.63 -0.58 5.56 1.75 -1.26 -5.04 119.30 120.80 1wki s MET 7 Ca 0.28 -0.08 -0.01 0.00 -1.25 0.00 0.00 55.69 54.64 1wki s MET 7 Cb 0.33 -1.95 0.15 0.00 2.84 0.00 0.00 34.83 36.20 1wki s MET 7 CO -0.13 -1.78 0.37 0.15 -0.65 0.00 0.00 175.02 172.98 1wki s LYS 8 N -5.62 2.35 -0.12 4.11 1.02 -1.26 -5.05 119.74 115.17 1wki s LYS 8 Ca 0.65 -2.49 -0.20 0.00 0.02 0.00 0.00 55.97 53.96 1wki s LYS 8 Cb -0.09 -3.61 0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1wki s LYS 8 CO 0.50 -1.14 0.50 -0.47 -0.92 0.00 0.00 175.35 173.81 1wki s TYR 9 N -0.01 -0.49 0.19 3.18 5.04 -1.26 -5.17 117.35 118.84 1wki s TYR 9 Ca 0.16 1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 55.82 1wki s TYR 9 Cb -0.22 0.21 -0.05 0.00 0.35 0.00 0.00 41.96 42.26 1wki s TYR 9 CO -0.03 -0.37 0.40 0.50 -1.34 0.00 0.00 175.55 174.72 1wki s ARG 10 N -0.41 3.56 1.21 4.97 6.06 -1.26 -5.09 118.95 127.99 1wki s ARG 10 Ca -0.05 -0.24 -0.17 0.00 -2.50 0.00 0.00 55.73 52.76 1wki s ARG 10 Cb -0.03 -2.82 0.29 0.00 0.06 0.00 0.00 34.95 32.44 1wki s ARG 10 CO 0.03 0.40 1.05 0.15 -2.50 0.00 0.00 175.30 174.43 1wki s LYS 11 N -3.16 -1.28 0.07 5.12 -0.14 -1.26 -5.02 119.74 114.06 1wki s LYS 11 Ca 0.40 0.26 -0.08 0.00 -1.36 0.00 0.00 55.97 55.19 1wki s LYS 11 Cb -0.11 -1.56 -0.05 0.00 -1.68 0.00 0.00 37.83 34.42 1wki s LYS 11 CO 0.28 -3.82 0.35 -1.14 -0.76 0.00 0.00 175.35 170.26 1wki s GLN 12 N -5.06 3.66 -0.16 1.68 0.74 -1.26 -5.09 119.66 114.18 1wki s GLN 12 Ca 0.69 0.03 -0.05 0.00 0.05 0.00 0.00 55.36 56.07 1wki s GLN 12 Cb -0.15 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 1wki s GLN 12 CO 0.58 0.57 0.03 -1.14 -0.55 0.00 0.00 175.29 174.79 1wki s GLN 13 N -2.02 3.71 0.84 1.67 2.00 -1.26 -5.10 119.66 119.51 1wki s GLN 13 Ca 0.33 -0.39 -0.11 0.00 -2.00 0.00 0.00 55.36 53.18 1wki s GLN 13 Cb -0.13 -3.06 0.10 0.00 0.80 0.00 0.00 33.01 30.71 1wki s GLN 13 CO 0.19 0.36 1.09 1.03 -0.50 0.00 0.00 175.29 177.46 1wki s ARG 14 N 0.10 1.69 0.00 1.67 1.81 -1.26 -4.89 118.95 118.07 1wki s ARG 14 Ca 0.03 0.79 0.00 0.00 -1.72 0.00 0.00 55.73 54.83 1wki s ARG 14 Cb -0.13 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.51 1wki s ARG 14 CO 0.01 -1.93 0.00 0.41 -0.68 0.00 0.00 175.30 173.11 1wki n GLY 15 N -1.51 -1.26 1.49 -3.53 0.00 -1.26 -5.16 105.19 93.95 1wki n GLY 15 Ca 0.07 0.49 0.19 0.00 0.00 0.00 0.00 46.02 46.77 1wki n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wki n ARG 16 N 0.00 -2.79 -3.15 1.61 3.00 -1.26 -4.95 116.66 109.13 1wki n ARG 16 Ca 0.00 1.84 0.04 0.00 -0.01 0.00 0.00 57.85 59.72 1wki n ARG 16 Cb 0.00 -3.40 -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 -1.17 0.00 0.00 0.00 177.63 176.46 1wki s LEU 17 N 0.00 -1.20 -0.14 0.55 1.98 -1.26 -5.03 118.68 113.59 1wki s LEU 17 Ca 0.00 0.74 0.19 0.00 -2.89 0.00 0.00 54.13 52.17 1wki s LEU 17 Cb 0.00 2.00 -0.26 0.00 0.66 0.00 0.00 46.19 48.59 1wki s LEU 17 CO 0.00 -0.22 0.25 2.29 -1.89 0.00 0.00 176.35 176.77 1wki n LYS 18 N 5.44 0.68 -2.61 1.98 0.00 -1.26 -4.58 118.16 117.80 1wki n LYS 18 Ca -0.02 -0.02 -0.42 0.00 -0.00 0.00 0.00 58.31 57.85 1wki n LYS 18 Cb 0.52 -1.55 0.01 0.00 -0.00 0.00 0.00 35.03 34.00 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 19 N 1.60 5.56 3.13 2.58 0.00 -1.26 -4.95 105.19 111.86 1wki n GLY 19 Ca -0.24 -2.47 -0.33 0.00 0.00 0.00 0.00 46.02 42.98 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 -2.86 2.29 0.14 4.61 0.00 -1.26 -4.72 121.76 119.96 1wki s ALA 20 Ca 0.39 -1.18 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1wki s ALA 20 Cb 0.14 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1wki s ALA 20 CO -0.04 -0.26 0.88 0.25 0.00 0.00 0.00 175.76 176.59 1wki n THR 21 N 4.48 0.00 -3.94 0.00 -2.24 -1.26 -5.18 114.28 106.13 1wki n THR 21 Ca -0.21 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 60.92 1wki n THR 21 Cb 0.50 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1wki n THR 21 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wki s LYS 22 N -2.04 2.85 0.00 -0.78 2.47 -1.26 -4.78 119.74 116.21 1wki s LYS 22 Ca 0.20 -1.16 0.00 0.00 -1.56 0.00 0.00 55.97 53.45 1wki s LYS 22 Cb -0.02 -2.54 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 1wki s LYS 22 CO 0.04 0.24 0.00 0.41 0.16 0.00 0.00 175.35 176.21 1wki n GLY 23 N -1.30 1.90 0.88 5.54 0.00 -1.26 -4.98 105.19 105.97 1wki n GLY 23 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1wki n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 24 N 0.00 1.05 3.69 -0.02 0.00 -1.26 -5.11 105.19 103.55 1wki n GLY 24 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1wki n GLY 24 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wki s ASP 25 N -1.55 3.25 0.00 1.61 1.47 -1.11 -4.89 116.67 115.46 1wki s ASP 25 Ca 0.16 1.74 0.00 0.00 1.18 0.00 0.00 52.55 55.63 1wki s ASP 25 Cb 0.18 -2.37 0.00 0.00 -0.34 0.00 0.00 42.92 40.39 1wki s ASP 25 CO -0.07 -2.81 0.00 0.00 0.68 0.00 0.00 175.17 172.97 1wki n TYR 26 N -4.02 -0.34 0.00 2.11 4.19 -1.26 -5.05 117.16 112.78 1wki n TYR 26 Ca 0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.29 1wki n TYR 26 Cb 0.54 0.07 0.00 0.00 0.49 0.00 0.00 39.34 40.44 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1wki n VAL 27 N -1.98 0.00 0.19 2.97 0.31 -1.26 -0.96 118.33 117.60 1wki n VAL 27 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1wki n VAL 27 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki h ALA 28 N 0.00 -1.05 -4.14 3.52 0.00 -1.91 -3.47 119.26 112.21 1wki h ALA 28 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 1wki h ALA 28 Cb 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1wki h ALA 28 CO 0.00 -1.13 -0.28 1.19 0.00 0.00 0.00 179.25 179.03 1wki n PHE 29 N -5.31 -0.41 -1.46 0.00 3.72 -1.26 -5.13 117.46 107.61 1wki n PHE 29 Ca -0.10 -1.65 0.19 0.00 -0.05 0.00 0.00 57.45 55.84 1wki n PHE 29 Cb 0.41 0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 39.04 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 -0.28 -2.56 0.11 1.37 0.00 -1.26 -4.48 105.19 98.09 1wki n GLY 30 Ca 0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 1wki n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wki h ASP 31 N -1.41 0.00 -1.45 1.61 5.19 -1.59 -3.42 116.42 115.35 1wki h ASP 31 Ca -0.08 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.74 1wki h ASP 31 Cb 1.38 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.79 1wki h ASP 31 CO 0.05 0.72 -0.51 -0.31 -3.12 0.00 0.00 179.24 176.06 1wki s TYR 32 N -2.93 2.47 -0.28 4.55 2.02 -0.31 0.12 117.35 123.00 1wki s TYR 32 Ca 0.02 -0.65 -0.20 0.00 -0.37 0.00 0.00 57.07 55.88 1wki s TYR 32 Cb 0.09 -1.89 0.09 0.00 -0.40 0.00 0.00 41.96 39.85 1wki s TYR 32 CO 0.77 0.21 0.76 0.20 -1.57 0.00 0.00 175.55 175.92 1wki s GLY 33 N -3.88 -0.50 -0.33 0.71 0.00 0.33 -2.81 107.32 100.84 1wki s GLY 33 Ca 0.37 2.40 -0.20 0.00 0.00 0.00 0.00 44.72 47.29 1wki s GLY 33 CO 0.20 2.18 0.59 -2.27 0.00 0.00 0.00 173.10 173.80 1wki s LEU 34 N 1.10 4.22 -0.04 0.66 1.98 0.30 -1.65 118.68 125.26 1wki s LEU 34 Ca -0.06 0.22 -0.01 0.00 -2.89 0.00 0.00 54.13 51.39 1wki s LEU 34 Cb -0.05 -2.74 -0.04 0.00 0.66 0.00 0.00 46.19 44.03 1wki s LEU 34 CO -0.12 -0.51 0.05 0.54 -1.89 0.00 0.00 176.35 174.43 1wki s VAL 35 N 2.57 4.62 -0.44 1.68 0.11 -0.92 0.11 120.40 128.12 1wki s VAL 35 Ca 0.23 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.77 1wki s VAL 35 Cb -0.15 -3.05 0.03 0.00 -1.53 0.00 0.00 36.38 31.68 1wki s VAL 35 CO 0.13 0.45 0.52 0.00 -3.33 0.00 0.00 175.10 172.88 1wki s ALA 36 N -1.08 3.40 -1.98 1.54 0.00 0.02 -2.07 121.76 121.60 1wki s ALA 36 Ca 0.19 -1.51 0.28 0.00 0.00 0.00 0.00 51.96 50.92 1wki s ALA 36 Cb -0.12 -3.18 1.65 0.00 0.00 0.00 0.00 23.12 21.48 1wki s ALA 36 CO 0.09 -1.73 2.00 1.28 0.00 0.00 0.00 175.76 177.41 1wki n LEU 37 N 5.86 0.00 -3.89 0.00 4.77 0.28 0.90 117.00 124.92 1wki n LEU 37 Ca -0.06 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 1wki n LEU 37 Cb 0.47 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1wki n LEU 37 CO 0.50 -0.00 -0.22 -1.61 -1.33 0.00 0.00 177.39 174.72 1wki s GLU 38 N -2.02 0.41 0.22 3.23 8.01 -1.21 -4.39 118.70 122.95 1wki s GLU 38 Ca 0.41 -0.40 -0.30 0.00 0.01 0.00 0.00 54.97 54.70 1wki s GLU 38 Cb 0.19 0.17 -0.09 0.00 -4.31 0.00 0.00 34.13 30.09 1wki s GLU 38 CO 0.33 -0.09 1.17 -1.25 0.01 0.00 0.00 175.26 175.43 1wki s PRO 39 N -1.27 4.53 0.21 0.39 0.04 -1.26 -4.36 135.00 133.29 1wki s PRO 39 Ca -0.14 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 1wki s PRO 39 Cb -0.08 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.30 1wki s PRO 39 CO 0.01 -0.00 0.90 0.00 0.04 0.00 0.00 177.00 177.94 1wki s ALA 40 N -0.45 -1.45 -0.39 8.56 0.00 -1.14 -4.90 121.76 121.99 1wki s ALA 40 Ca 0.50 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 1wki s ALA 40 Cb -0.33 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.57 1wki s ALA 40 CO 0.39 -1.04 0.20 -1.58 0.00 0.00 0.00 175.76 173.73 1wki s TRP 41 N -3.20 3.35 -0.29 0.00 0.51 -1.26 -1.48 118.94 116.57 1wki s TRP 41 Ca 0.14 -1.64 -0.26 0.00 -2.12 0.00 0.00 56.10 52.22 1wki s TRP 41 Cb -0.03 -2.80 0.01 0.00 -0.81 0.00 0.00 33.47 29.84 1wki s TRP 41 CO 0.05 -0.84 0.91 0.42 -0.51 0.00 0.00 176.95 176.98 1wki s ILE 42 N 1.37 4.70 0.78 2.03 -1.09 -0.79 -4.68 121.20 123.53 1wki s ILE 42 Ca 0.02 1.53 -0.12 0.00 -2.23 0.00 0.00 60.65 59.85 1wki s ILE 42 Cb -0.22 -4.24 0.06 0.00 -1.58 0.00 0.00 42.46 36.48 1wki s ILE 42 CO 0.01 -0.28 1.15 0.42 -1.23 0.00 0.00 174.94 175.02 1wki s THR 43 N 3.17 2.46 0.22 2.92 -4.23 -1.26 0.45 115.64 119.36 1wki s THR 43 Ca 0.38 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.95 1wki s THR 43 Cb -0.14 -3.13 0.16 0.00 1.34 0.00 0.00 72.50 70.73 1wki s THR 43 CO 0.11 -0.19 1.83 0.00 -0.54 0.00 0.00 174.62 175.83 1wki h ALA 44 N -0.95 0.96 -0.92 3.99 0.00 -1.95 -1.89 119.26 118.51 1wki h ALA 44 Ca -0.46 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1wki h ALA 44 Cb 1.31 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1wki h ALA 44 CO 0.65 0.14 0.60 1.96 0.00 0.00 0.00 179.25 182.60 1wki h GLN 45 N 0.79 1.03 -0.54 0.00 1.08 -1.93 -1.43 115.11 114.11 1wki h GLN 45 Ca 0.31 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.48 1wki h GLN 45 Cb 0.14 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1wki h GLN 45 CO -0.16 0.68 0.36 1.96 -0.95 0.00 0.00 178.83 180.72 1wki h GLN 46 N 1.06 0.61 -0.02 1.46 1.08 -1.71 2.54 115.11 120.13 1wki h GLN 46 Ca 0.39 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.54 1wki h GLN 46 Cb 0.17 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1wki h GLN 46 CO -0.14 0.40 -0.03 0.82 -0.95 0.00 0.00 178.83 178.92 1wki h ILE 47 N 0.63 1.45 0.07 2.54 2.04 -1.22 -2.61 117.51 120.41 1wki h ILE 47 Ca 0.22 -1.38 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 1wki h ILE 47 Cb 0.09 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1wki h ILE 47 CO -0.06 0.37 -0.77 -0.08 0.00 0.00 0.00 178.15 177.61 1wki h GLU 48 N -0.50 0.14 -0.46 2.37 4.81 -1.13 -2.95 114.58 116.86 1wki h GLU 48 Ca 0.00 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1wki h GLU 48 Cb 0.61 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 1wki h GLU 48 CO 0.01 1.12 0.14 0.00 -0.73 0.00 0.00 179.01 179.54 1wki h ALA 49 N -0.07 0.54 -0.30 2.92 0.00 0.42 0.77 119.26 123.55 1wki h ALA 49 Ca -0.17 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1wki h ALA 49 Cb 1.41 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1wki h ALA 49 CO 0.02 -0.26 -0.27 0.00 0.00 0.00 0.00 179.25 178.74 1wki h ALA 50 N 1.32 0.97 -0.54 0.00 0.00 -1.50 -2.93 119.26 116.58 1wki h ALA 50 Ca 0.22 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1wki h ALA 50 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wki h ALA 50 CO -0.25 0.60 0.16 0.00 0.00 0.00 0.00 179.25 179.77 1wki h ARG 51 N 0.52 0.83 -0.71 0.00 2.47 -1.12 -1.59 114.38 114.79 1wki h ARG 51 Ca 0.07 -0.18 0.04 0.00 -1.26 0.00 0.00 59.98 58.65 1wki h ARG 51 Cb 0.74 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.89 1wki h ARG 51 CO 0.06 0.77 0.43 0.28 0.56 0.00 0.00 179.97 182.07 1wki h VAL 52 N 0.74 1.05 -0.62 2.04 2.07 -0.75 0.57 116.25 121.36 1wki h VAL 52 Ca 0.17 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1wki h VAL 52 Cb 0.29 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1wki h VAL 52 CO -0.00 0.15 0.02 0.00 0.02 0.00 0.00 177.57 177.76 1wki h ALA 53 N 1.32 0.83 -0.06 1.67 0.00 -1.33 -2.18 119.26 119.52 1wki h ALA 53 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1wki h ALA 53 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wki h ALA 53 CO -0.14 0.66 -0.11 0.52 0.00 0.00 0.00 179.25 180.18 1wki h MET 54 N 0.99 0.18 -0.80 0.00 2.07 -0.62 -2.13 114.93 114.62 1wki h MET 54 Ca 0.18 -0.12 0.08 0.00 -2.07 0.00 0.00 59.70 57.77 1wki h MET 54 Cb 0.54 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.23 1wki h MET 54 CO 0.03 0.69 0.52 0.28 1.07 0.00 0.00 176.91 179.51 1wki h VAL 55 N -0.31 0.99 0.00 -2.22 2.07 0.13 -0.45 116.25 116.47 1wki h VAL 55 Ca 0.00 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 1wki h VAL 55 Cb 0.69 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1wki h VAL 55 CO 0.03 0.15 -0.71 0.03 0.02 0.00 0.00 177.57 177.08 1wki h ARG 56 N 0.81 0.00 0.30 1.57 3.08 -1.39 -3.30 114.38 115.45 1wki h ARG 56 Ca 0.36 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 30.39 1wki h ARG 56 CO -0.13 0.71 -0.15 1.25 -1.07 0.00 0.00 179.97 180.58 1wki h HIS 57 N 0.00 -0.38 -0.50 3.04 2.76 -0.39 -3.40 115.15 116.29 1wki h HIS 57 Ca -0.01 -0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 57.98 1wki h HIS 57 Cb 1.31 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.37 1wki h HIS 57 CO 0.00 -0.08 0.77 1.19 -1.30 0.00 0.00 177.93 178.51 1wki n PHE 58 N -5.16 0.98 0.22 5.26 3.72 -0.85 -4.73 117.46 116.89 1wki n PHE 58 Ca -0.10 0.03 0.06 0.00 -0.05 0.00 0.00 57.45 57.39 1wki n PHE 58 Cb 0.25 -2.24 0.48 0.00 -0.94 0.00 0.00 39.48 37.03 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 13.67 0.00 -1.04 -1.08 3.08 -1.87 -2.47 114.38 124.67 1wki h ARG 59 Ca -0.04 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.52 1wki h ARG 59 Cb 1.09 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.88 1wki h ARG 59 CO 1.16 0.25 0.63 0.54 -1.07 0.00 0.00 179.97 181.49 1wki n ARG 60 N -4.06 2.20 -1.01 0.04 1.74 -1.26 -5.03 116.66 109.28 1wki n ARG 60 Ca -0.02 -2.69 0.13 0.00 -0.77 0.00 0.00 57.85 54.49 1wki n ARG 60 Cb 0.32 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.46 29.65 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 -0.84 -2.77 0.00 -0.13 0.00 -0.93 -4.94 105.19 95.58 1wki n GLY 61 Ca 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.72 1.86 2.93 -0.02 0.00 -1.26 -4.58 105.19 100.40 1wki n GLY 62 Ca -0.05 -1.01 -0.12 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 -2.00 0.21 -0.10 1.61 -2.85 -1.26 -4.99 119.74 110.37 1wki s LYS 63 Ca 0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 55.97 54.75 1wki s LYS 63 Cb 0.00 -0.11 -0.02 0.00 -2.06 0.00 0.00 37.83 35.64 1wki s LYS 63 CO 0.00 0.02 -0.14 0.42 0.10 0.00 0.00 175.35 175.75 1wki s ILE 64 N -0.43 3.02 -0.36 3.79 1.01 -1.26 -3.13 121.20 123.84 1wki s ILE 64 Ca -0.03 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1wki s ILE 64 Cb -0.03 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.25 1wki s ILE 64 CO -0.00 0.55 0.17 -0.36 0.00 0.00 0.00 174.94 175.30 1wki s PHE 65 N -0.08 3.26 0.04 3.97 0.08 0.27 -4.93 117.98 120.58 1wki s PHE 65 Ca -0.02 -1.25 -0.22 0.00 0.12 0.00 0.00 56.93 55.56 1wki s PHE 65 Cb -0.14 -2.44 -0.06 0.00 -0.57 0.00 0.00 43.02 39.82 1wki s PHE 65 CO 0.04 -0.71 0.64 0.42 -0.10 0.00 0.00 175.22 175.50 1wki s ILE 66 N 1.47 4.79 -0.09 0.64 -1.09 -1.26 -2.27 121.20 123.39 1wki s ILE 66 Ca 0.00 1.36 0.12 0.00 -2.23 0.00 0.00 60.65 59.90 1wki s ILE 66 Cb -0.20 -3.98 -0.18 0.00 -1.58 0.00 0.00 42.46 36.53 1wki s ILE 66 CO 0.04 0.44 0.12 -1.14 -1.23 0.00 0.00 174.94 173.18 1wki n ARG 67 N 2.45 1.45 -1.51 2.79 3.00 -1.04 -5.01 116.66 118.79 1wki n ARG 67 Ca -0.07 -0.04 -0.31 0.00 -0.00 0.00 0.00 57.85 57.43 1wki n ARG 67 Cb 0.51 -1.33 0.06 0.00 0.00 0.00 0.00 32.46 31.70 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wki s ILE 68 N -2.51 3.77 -0.17 5.15 -4.36 -1.25 -5.08 121.20 116.74 1wki s ILE 68 Ca -0.06 0.60 -0.14 0.00 -0.26 0.00 0.00 60.65 60.79 1wki s ILE 68 Cb 0.05 -3.24 0.05 0.00 1.25 0.00 0.00 42.46 40.57 1wki s ILE 68 CO 0.54 -0.73 0.45 0.12 0.24 0.00 0.00 174.94 175.56 1wki s PHE 69 N -2.94 -0.53 -0.60 1.37 5.36 -1.26 -5.11 117.98 114.27 1wki s PHE 69 Ca 0.60 1.25 -0.28 0.00 -0.96 0.00 0.00 56.93 57.54 1wki s PHE 69 Cb -0.15 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.76 1wki s PHE 69 CO 0.54 -0.27 1.23 -1.25 -1.46 0.00 0.00 175.22 174.01 1wki s PRO 70 N 0.51 3.45 0.00 10.12 0.04 -1.26 -4.17 135.00 143.68 1wki s PRO 70 Ca -0.02 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1wki s PRO 70 Cb -0.04 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1wki s PRO 70 CO -0.03 -1.77 0.00 -0.25 0.04 0.00 0.00 177.00 174.99 1wki n ASP 71 N 8.71 1.14 -4.64 6.66 9.92 -0.42 -4.71 116.55 133.21 1wki n ASP 71 Ca 0.08 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.92 1wki n ASP 71 Cb 0.49 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.94 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wki s LYS 72 N -1.86 3.84 0.70 -1.24 -0.14 -0.74 -4.77 119.74 115.53 1wki s LYS 72 Ca 0.00 1.92 -0.16 0.00 -1.36 0.00 0.00 55.97 56.36 1wki s LYS 72 Cb 0.00 -4.08 -0.04 0.00 -1.68 0.00 0.00 37.83 32.03 1wki s LYS 72 CO 0.00 -1.26 0.60 -2.30 -0.76 0.00 0.00 175.35 171.63 1wki n PRO 73 N 7.66 0.37 -3.92 -1.68 -0.02 -1.26 -1.14 135.00 135.01 1wki n PRO 73 Ca 0.20 0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 1wki n PRO 73 Cb 0.44 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 1wki n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wki s TYR 74 N -1.86 3.21 -0.10 6.00 6.14 -0.99 -4.68 117.35 125.06 1wki s TYR 74 Ca 0.67 -3.13 0.04 0.00 0.64 0.00 0.00 57.07 55.29 1wki s TYR 74 Cb -0.36 -2.86 -0.00 0.00 0.42 0.00 0.00 41.96 39.15 1wki s TYR 74 CO 0.56 -0.75 -0.23 0.95 0.64 0.00 0.00 175.55 176.72 1wki s THR 75 N -0.27 2.14 -0.24 4.34 -4.23 -1.26 -2.76 115.64 113.36 1wki s THR 75 Ca 0.17 -0.99 0.12 0.00 -1.18 0.00 0.00 61.69 59.81 1wki s THR 75 Cb -0.25 -1.82 0.45 0.00 1.34 0.00 0.00 72.50 72.22 1wki s THR 75 CO -0.00 0.56 1.18 0.29 -0.54 0.00 0.00 174.62 176.11 1wki n LYS 76 N 3.51 2.43 -3.87 3.99 5.02 -1.26 -4.96 118.16 123.01 1wki n LYS 76 Ca -0.19 -3.63 -0.33 0.00 -2.02 0.00 0.00 58.31 52.14 1wki n LYS 76 Cb 0.53 -1.78 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 1wki n LYS 76 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wki s LYS 77 N -3.20 2.03 0.43 1.97 0.00 -1.26 -4.94 119.74 114.76 1wki s LYS 77 Ca 0.42 -2.27 0.21 0.00 0.00 0.00 0.00 55.97 54.33 1wki s LYS 77 Cb 0.38 -3.46 0.94 0.00 0.00 0.00 0.00 37.83 35.69 1wki s LYS 77 CO -0.02 -1.08 1.86 -1.00 0.00 0.00 0.00 175.35 175.10 1wki h PRO 78 N 7.20 0.00 -7.13 1.78 0.13 -2.07 -3.44 132.00 128.47 1wki h PRO 78 Ca -0.06 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.57 1wki h PRO 78 Cb 0.97 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.13 1wki h PRO 78 CO 0.66 0.28 0.28 -1.17 -0.23 0.00 0.00 178.00 177.82 1wki s LEU 79 N -7.23 3.54 -0.39 1.56 0.20 -1.26 -5.06 118.68 110.03 1wki s LEU 79 Ca -0.01 1.30 0.03 0.00 0.69 0.00 0.00 54.13 56.14 1wki s LEU 79 Cb 0.12 -4.27 0.16 0.00 -0.43 0.00 0.00 46.19 41.77 1wki s LEU 79 CO 0.65 -0.64 0.37 -0.70 -0.29 0.00 0.00 176.35 175.75 1wki s GLU 80 N -4.53 0.74 -0.12 1.98 2.12 -1.26 -5.12 118.70 112.51 1wki s GLU 80 Ca 0.54 -1.32 -0.24 0.00 0.36 0.00 0.00 54.97 54.31 1wki s GLU 80 Cb -0.10 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.31 1wki s GLU 80 CO 0.42 -1.27 0.77 0.14 -0.54 0.00 0.00 175.26 174.78 1wki s VAL 81 N 0.92 4.96 0.39 3.70 -7.23 -1.26 -4.81 120.40 117.07 1wki s VAL 81 Ca 0.23 1.54 0.00 0.00 -1.81 0.00 0.00 61.98 61.94 1wki s VAL 81 Cb -0.10 -4.09 0.00 0.00 0.56 0.00 0.00 36.38 32.75 1wki s VAL 81 CO -0.07 0.13 0.00 0.54 -0.31 0.00 0.00 175.10 175.40 1wki n ARG 82 N 4.55 -4.25 -3.14 4.82 1.74 -1.26 -4.94 116.66 114.19 1wki n ARG 82 Ca 0.02 3.11 -0.33 0.00 -0.77 0.00 0.00 57.85 59.87 1wki n ARG 82 Cb 0.50 -3.46 -0.06 0.00 -1.02 0.00 0.00 32.46 28.42 1wki n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wki s MET 83 N -3.17 4.05 0.20 5.56 0.23 -1.26 -5.09 119.30 119.82 1wki s MET 83 Ca 0.00 0.70 0.01 0.00 -1.03 0.00 0.00 55.69 55.38 1wki s MET 83 Cb 0.00 -2.53 -0.05 0.00 -1.53 0.00 0.00 34.83 30.72 1wki s MET 83 CO 0.00 0.21 0.04 0.20 -2.03 0.00 0.00 175.02 173.44 1wki s GLY 84 N -2.14 1.40 -0.15 3.16 0.00 -1.26 -5.04 107.32 103.29 1wki s GLY 84 Ca 0.52 -1.69 0.12 0.00 0.00 0.00 0.00 44.72 43.67 1wki s GLY 84 CO 0.18 -1.54 1.46 1.17 0.00 0.00 0.00 173.10 174.37 1wki n LYS 85 N -0.31 3.72 0.00 2.90 0.00 -1.26 -4.88 118.16 118.33 1wki n LYS 85 Ca -0.04 -2.36 0.00 0.00 0.00 0.00 0.00 58.31 55.91 1wki n LYS 85 Cb 0.64 -1.98 0.00 0.00 0.00 0.00 0.00 35.03 33.69 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 0.64 4.48 1.67 3.14 0.00 -1.26 -5.13 105.19 108.74 1wki n GLY 86 Ca 0.21 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1wki n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 87 N 0.00 0.00 0.00 1.61 4.81 -1.26 -5.18 118.16 118.14 1wki n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wki n LYS 87 Cb 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 35.03 34.98 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wki n GLY 88 N 2.17 0.96 3.51 3.14 0.00 -1.26 -5.00 105.19 108.71 1wki n GLY 88 Ca 0.00 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 6.39 0.31 1.61 2.47 -1.26 -5.00 114.94 115.46 1wki s ASN 89 Ca 0.00 -1.30 -0.28 0.00 0.42 0.00 0.00 52.86 51.71 1wki s ASN 89 Cb 0.00 -2.49 -0.09 0.00 -1.45 0.00 0.00 41.25 37.21 1wki s ASN 89 CO 0.00 -1.45 1.07 0.54 -3.72 0.00 0.00 177.10 173.53 1wki s VAL 90 N 4.37 3.62 -0.88 -5.21 0.11 -1.26 -4.94 120.40 116.21 1wki s VAL 90 Ca 0.35 1.51 -0.06 0.00 -2.93 0.00 0.00 61.98 60.86 1wki s VAL 90 Cb -0.06 -3.92 0.01 0.00 -1.53 0.00 0.00 36.38 30.88 1wki s VAL 90 CO -0.00 0.27 2.79 -0.62 -3.33 0.00 0.00 175.10 174.21 1wki n GLU 91 N 0.85 3.35 -1.12 1.54 -0.58 -1.11 -4.96 120.64 118.60 1wki n GLU 91 Ca 0.01 -2.53 0.15 0.00 -0.42 0.00 0.00 57.16 54.36 1wki n GLU 91 Cb 0.46 -2.40 -0.04 0.00 -0.57 0.00 0.00 31.44 28.89 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 1.84 -2.02 3.74 0.62 0.00 -1.26 -4.64 105.19 103.47 1wki n GLY 92 Ca 0.58 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.31 2.98 0.34 1.61 2.02 -1.26 -2.34 117.35 118.39 1wki s TYR 93 Ca 0.00 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1wki s TYR 93 Cb 0.00 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 1wki s TYR 93 CO 0.00 0.53 0.13 0.14 -1.57 0.00 0.00 175.55 174.78 1wki s VAL 94 N -1.91 0.59 -0.23 0.71 -7.23 -0.29 -3.18 120.40 108.86 1wki s VAL 94 Ca 0.30 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1wki s VAL 94 Cb -0.09 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.39 1wki s VAL 94 CO 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.95 1wki s ALA 95 N -3.43 1.95 0.13 1.32 0.00 0.17 -1.30 121.76 120.60 1wki s ALA 95 Ca 0.32 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.63 1wki s ALA 95 Cb 0.05 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 1wki s ALA 95 CO 0.16 -1.17 1.55 0.08 0.00 0.00 0.00 175.76 176.38 1wki s VAL 96 N 1.40 2.85 0.22 0.00 1.01 -1.26 -1.89 120.40 122.74 1wki s VAL 96 Ca -0.06 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1wki s VAL 96 Cb -0.19 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1wki s VAL 96 CO -0.06 0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.26 1wki s VAL 97 N 1.50 1.67 0.14 2.92 1.01 -0.55 -4.98 120.40 122.10 1wki s VAL 97 Ca 0.70 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 60.54 1wki s VAL 97 Cb -0.41 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1wki s VAL 97 CO 0.31 -0.53 -0.11 -1.59 0.00 0.00 0.00 175.10 173.18 1wki s LYS 98 N -3.67 1.04 -0.27 2.72 -2.85 -1.26 -2.89 119.74 112.56 1wki s LYS 98 Ca 0.24 -1.38 -0.36 0.00 -1.00 0.00 0.00 55.97 53.47 1wki s LYS 98 Cb 0.01 -0.70 -0.13 0.00 -2.06 0.00 0.00 37.83 34.95 1wki s LYS 98 CO 0.08 0.10 2.00 -2.30 0.10 0.00 0.00 175.35 175.33 1wki n PRO 99 N 0.04 1.36 0.00 1.78 -0.02 -1.22 -2.40 135.00 134.54 1wki n PRO 99 Ca -0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1wki n PRO 99 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 5.40 1.30 3.14 -1.23 0.00 0.26 -4.46 105.19 109.59 1wki n GLY 100 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.29 2.81 -0.53 1.61 6.06 -1.01 -2.76 118.95 124.85 1wki s ARG 101 Ca 0.00 -0.97 -0.27 0.00 -2.50 0.00 0.00 55.73 51.99 1wki s ARG 101 Cb 0.00 -2.76 -0.01 0.00 0.06 0.00 0.00 34.95 32.24 1wki s ARG 101 CO 0.00 -0.33 1.67 0.08 -2.50 0.00 0.00 175.30 174.22 1wki s VAL 102 N 1.27 3.55 -0.09 7.11 1.01 -1.26 -0.80 120.40 131.18 1wki s VAL 102 Ca 0.01 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1wki s VAL 102 Cb -0.15 -4.06 -0.25 0.00 0.00 0.00 0.00 36.38 31.91 1wki s VAL 102 CO -0.09 -0.89 0.47 0.23 0.00 0.00 0.00 175.10 174.82 1wki n MET 103 N 8.81 0.71 -4.39 2.72 0.00 0.30 -4.64 117.12 120.63 1wki n MET 103 Ca 0.18 0.27 -0.20 0.00 0.00 0.00 0.00 57.70 57.94 1wki n MET 103 Cb 0.50 -1.74 -0.10 0.00 0.00 0.00 0.00 33.22 31.88 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 -2.57 1.92 -0.21 2.03 0.40 -1.08 -2.48 117.98 115.98 1wki s PHE 104 Ca -0.16 -0.51 -0.14 0.00 -0.60 0.00 0.00 56.93 55.53 1wki s PHE 104 Cb 0.07 -0.89 0.06 0.00 0.51 0.00 0.00 43.02 42.78 1wki s PHE 104 CO 0.79 0.47 0.53 -1.21 0.70 0.00 0.00 175.22 176.49 1wki s GLU 105 N -3.61 0.55 0.11 0.44 8.01 -0.96 0.11 118.70 123.35 1wki s GLU 105 Ca 0.25 0.92 0.08 0.00 0.01 0.00 0.00 54.97 56.23 1wki s GLU 105 Cb -0.02 0.10 -0.04 0.00 -4.31 0.00 0.00 34.13 29.87 1wki s GLU 105 CO 0.10 -0.14 -0.20 0.14 0.01 0.00 0.00 175.26 175.17 1wki s VAL 106 N 1.22 1.69 -0.08 2.63 -7.23 -1.12 0.93 120.40 118.44 1wki s VAL 106 Ca -0.07 -1.60 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 1wki s VAL 106 Cb -0.06 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1wki s VAL 106 CO -0.12 -0.12 0.27 0.00 -0.31 0.00 0.00 175.10 174.82 1wki s ALA 107 N -1.34 -0.67 0.00 1.32 0.00 -1.18 -1.16 121.76 118.72 1wki s ALA 107 Ca 0.08 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1wki s ALA 107 Cb -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1wki s ALA 107 CO 0.05 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1wki n GLY 108 N 2.49 3.15 3.87 0.00 0.00 -1.26 -3.98 105.19 109.46 1wki n GLY 108 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.27 4.80 0.94 1.61 -7.23 -1.26 -4.97 120.40 112.01 1wki s VAL 109 Ca 0.00 0.61 -0.11 0.00 -1.81 0.00 0.00 61.98 60.67 1wki s VAL 109 Cb 0.00 -3.71 0.15 0.00 0.56 0.00 0.00 36.38 33.38 1wki s VAL 109 CO 0.00 -0.43 1.09 0.42 -0.31 0.00 0.00 175.10 175.87 1wki s THR 110 N -2.26 2.49 0.25 5.32 -4.23 -1.26 -4.64 115.64 111.30 1wki s THR 110 Ca 0.51 0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1wki s THR 110 Cb -0.10 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.49 1wki s THR 110 CO 0.29 -0.21 1.92 -0.08 -0.54 0.00 0.00 174.62 176.00 1wki h GLU 111 N -1.76 1.31 -0.30 3.99 4.81 -1.97 0.84 114.58 121.50 1wki h GLU 111 Ca -0.50 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.61 1wki h GLU 111 Cb 1.29 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1wki h GLU 111 CO 0.52 0.89 0.09 0.93 -0.73 0.00 0.00 179.01 180.70 1wki h GLU 112 N 1.35 0.46 -0.03 1.92 4.39 -1.98 0.53 114.58 121.22 1wki h GLU 112 Ca 0.36 -0.10 -0.22 0.00 0.34 0.00 0.00 59.36 59.73 1wki h GLU 112 Cb -0.13 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1wki h GLU 112 CO -0.07 0.52 -0.90 1.96 -1.16 0.00 0.00 179.01 179.36 1wki h GLN 113 N 0.32 0.51 -0.06 2.33 1.08 -1.84 -2.15 115.11 115.29 1wki h GLN 113 Ca 0.10 -0.50 -0.03 0.00 -1.45 0.00 0.00 58.65 56.76 1wki h GLN 113 Cb 0.26 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1wki h GLN 113 CO -0.00 1.13 -0.10 0.00 -0.95 0.00 0.00 178.83 178.92 1wki h ALA 114 N 0.70 0.09 -0.10 3.87 0.00 0.78 -0.21 119.26 124.39 1wki h ALA 114 Ca -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1wki h ALA 114 Cb 1.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 114 CO 0.16 -0.06 0.04 0.52 0.00 0.00 0.00 179.25 179.91 1wki h MET 115 N -0.31 0.16 -0.12 0.00 2.86 -0.02 -0.36 114.93 117.13 1wki h MET 115 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wki h MET 115 Cb 0.65 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1wki h MET 115 CO 0.02 0.28 0.05 1.49 1.06 0.00 0.00 176.91 179.82 1wki h GLU 116 N -0.00 0.18 -0.26 1.72 4.81 -1.47 -0.32 114.58 119.24 1wki h GLU 116 Ca 0.03 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1wki h GLU 116 Cb 0.18 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1wki h GLU 116 CO -0.00 0.26 0.03 0.00 -0.73 0.00 0.00 179.01 178.57 1wki h ALA 117 N 0.91 0.25 -0.13 2.92 0.00 -0.98 0.55 119.26 122.79 1wki h ALA 117 Ca 0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1wki h ALA 117 Cb 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wki h ALA 117 CO -0.00 -0.39 -0.09 -0.07 0.00 0.00 0.00 179.25 178.70 1wki h LEU 118 N 0.12 0.18 -0.12 0.00 4.07 -0.95 -2.30 115.31 116.31 1wki h LEU 118 Ca 0.12 -0.03 -0.24 0.00 0.08 0.00 0.00 57.88 57.81 1wki h LEU 118 Cb 0.14 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 41.84 1wki h LEU 118 CO -0.18 0.30 -0.90 0.03 -1.08 0.00 0.00 178.44 176.62 1wki h ARG 119 N 0.19 0.70 -0.64 1.13 3.08 0.19 -3.12 114.38 115.91 1wki h ARG 119 Ca 0.04 -0.66 0.08 0.00 0.07 0.00 0.00 59.98 59.51 1wki h ARG 119 Cb 0.28 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1wki h ARG 119 CO 0.01 1.26 0.43 0.82 -1.07 0.00 0.00 179.97 181.42 1wki h ILE 120 N 0.44 0.96 -0.34 2.04 2.04 0.61 0.08 117.51 123.34 1wki h ILE 120 Ca -0.08 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1wki h ILE 120 Cb 1.53 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1wki h ILE 120 CO 0.18 0.10 -0.17 0.00 0.00 0.00 0.00 178.15 178.26 1wki h ALA 121 N 1.66 0.48 0.00 1.87 0.00 -1.45 -2.99 119.26 118.83 1wki h ALA 121 Ca 0.29 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1wki h ALA 121 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wki h ALA 121 CO -0.09 0.41 -0.15 0.78 0.00 0.00 0.00 179.25 180.20 1wki h GLY 122 N 0.50 0.00 0.84 0.00 0.00 -1.23 -3.18 103.07 100.00 1wki h GLY 122 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1wki h GLY 122 CO 0.05 0.00 0.30 0.84 0.00 0.00 0.00 176.54 177.73 1wki h HIS 123 N 0.00 0.56 -0.01 5.60 6.17 -0.86 -1.04 115.15 125.58 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 0.74 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.50 1wki h HIS 123 CO 0.00 0.31 -0.02 0.36 0.71 0.00 0.00 177.93 179.29 1wki n LYS 124 N -4.81 1.10 -2.85 5.26 0.00 -1.21 -4.87 118.16 110.79 1wki n LYS 124 Ca 0.04 -0.33 -0.31 0.00 -0.00 0.00 0.00 58.31 57.71 1wki n LYS 124 Cb 0.09 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 33.58 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 -2.12 3.87 -0.12 -5.58 1.43 -0.39 -4.97 118.68 110.79 1wki s LEU 125 Ca 0.40 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1wki s LEU 125 Cb 0.21 -4.16 0.27 0.00 0.03 0.00 0.00 46.19 42.54 1wki s LEU 125 CO 0.39 -0.38 1.11 -0.81 0.23 0.00 0.00 176.35 176.89 1wki n PRO 126 N -1.04 1.99 -3.86 1.29 -0.04 -1.26 -4.87 135.00 127.21 1wki n PRO 126 Ca 0.04 -1.11 -0.09 0.00 -0.04 0.00 0.00 63.50 62.30 1wki n PRO 126 Cb 0.54 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.44 0.03 0.17 0.52 -5.25 -1.26 -4.93 121.20 109.05 1wki s ILE 127 Ca 0.20 -1.09 -0.30 0.00 -0.99 0.00 0.00 60.65 58.47 1wki s ILE 127 Cb 0.16 -1.80 -0.07 0.00 2.95 0.00 0.00 42.46 43.70 1wki s ILE 127 CO 0.05 -0.14 0.94 -0.54 -1.79 0.00 0.00 174.94 173.46 1wki s LYS 128 N -3.93 4.76 0.01 0.37 -0.14 -1.26 -4.90 119.74 114.66 1wki s LYS 128 Ca 0.14 1.45 -0.02 0.00 -1.36 0.00 0.00 55.97 56.18 1wki s LYS 128 Cb 0.00 -3.33 -0.01 0.00 -1.68 0.00 0.00 37.83 32.81 1wki s LYS 128 CO 0.01 0.36 0.02 0.95 -0.76 0.00 0.00 175.35 175.93 1wki s THR 129 N -0.57 0.10 0.13 2.17 -4.23 -1.26 1.00 115.64 112.98 1wki s THR 129 Ca 0.44 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1wki s THR 129 Cb -0.24 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1wki s THR 129 CO 0.31 -0.46 -0.07 -1.59 -0.54 0.00 0.00 174.62 172.27 1wki s LYS 130 N -1.42 0.96 0.13 3.99 -2.85 -0.88 -4.95 119.74 114.73 1wki s LYS 130 Ca -0.15 -1.41 -0.18 0.00 -1.00 0.00 0.00 55.97 53.22 1wki s LYS 130 Cb -0.09 -0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 35.24 1wki s LYS 130 CO -0.00 -0.00 0.61 0.42 0.10 0.00 0.00 175.35 176.47 1wki s ILE 131 N -3.52 4.72 -0.05 3.79 -1.09 -1.26 -2.17 121.20 121.62 1wki s ILE 131 Ca 0.16 1.14 -0.13 0.00 -2.23 0.00 0.00 60.65 59.58 1wki s ILE 131 Cb 0.04 -3.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1wki s ILE 131 CO -0.01 0.38 0.31 0.68 -1.23 0.00 0.00 174.94 175.06 1wki s VAL 132 N -1.32 0.04 0.55 2.92 -7.23 -0.66 -4.97 120.40 109.73 1wki s VAL 132 Ca 0.35 -0.33 -0.03 0.00 -1.81 0.00 0.00 61.98 60.16 1wki s VAL 132 Cb -0.18 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.22 1wki s VAL 132 CO 0.20 -0.18 0.82 -0.60 -0.31 0.00 0.00 175.10 175.02 1wki s ARG 133 N -0.85 2.88 -0.93 4.82 3.52 -1.22 0.12 118.95 127.29 1wki s ARG 133 Ca -0.09 -0.27 -0.15 0.00 -0.13 0.00 0.00 55.73 55.09 1wki s ARG 133 Cb -0.04 -2.39 -0.27 0.00 -1.56 0.00 0.00 34.95 30.69 1wki s ARG 133 CO 0.03 -0.59 2.23 0.54 -0.81 0.00 0.00 175.30 176.70 1wki n ARG 134 N -2.41 0.18 -2.67 5.12 1.74 0.33 0.97 116.66 119.93 1wki n ARG 134 Ca 0.04 -0.29 -0.09 0.00 -0.77 0.00 0.00 57.85 56.74 1wki n ARG 134 Cb 0.58 -1.90 0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wki n ASP 135 N 9.91 -3.53 -4.07 0.55 2.03 -0.14 -5.01 116.55 116.29 1wki n ASP 135 Ca 0.61 -0.14 -0.35 0.00 0.52 0.00 0.00 54.79 55.43 1wki n ASP 135 Cb 0.24 -2.35 -0.12 0.00 -0.72 0.00 0.00 41.12 38.17 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wki s ALA 136 N -2.88 3.31 -0.44 -1.67 0.00 0.27 -5.03 121.76 115.32 1wki s ALA 136 Ca 0.16 -2.94 0.02 0.00 0.00 0.00 0.00 51.96 49.20 1wki s ALA 136 Cb -0.07 -2.41 0.13 0.00 0.00 0.00 0.00 23.12 20.77 1wki s ALA 136 CO 0.19 -1.94 0.21 0.71 0.00 0.00 0.00 175.76 174.94 1wki s TYR 137 N 0.41 2.42 0.33 0.00 1.51 -1.26 -3.44 117.35 117.33 1wki s TYR 137 Ca 0.13 -2.61 0.09 0.00 -1.01 0.00 0.00 57.07 53.67 1wki s TYR 137 Cb -0.22 -2.21 -0.06 0.00 -0.11 0.00 0.00 41.96 39.36 1wki s TYR 137 CO -0.04 -0.79 -0.08 0.34 -1.11 0.00 0.00 175.55 173.87 1wki s ASP 138 N 0.35 3.46 -0.60 2.29 2.15 -1.26 -5.09 116.67 117.98 1wki s ASP 138 Ca 0.16 -1.21 -0.28 0.00 0.43 0.00 0.00 52.55 51.65 1wki s ASP 138 Cb -0.24 -0.30 0.03 0.00 -0.30 0.00 0.00 42.92 42.11 1wki s ASP 138 CO -0.03 -0.26 1.19 -1.61 -0.17 0.00 0.00 175.17 174.29 1wki s GLU 139 N -3.65 3.47 -0.48 4.34 2.02 -1.26 -4.98 118.70 118.16 1wki s GLU 139 Ca 0.32 0.16 -0.16 0.00 0.02 0.00 0.00 54.97 55.31 1wki s GLU 139 Cb 0.03 -4.03 0.07 0.00 0.10 0.00 0.00 34.13 30.30 1wki s GLU 139 CO 0.15 -1.72 0.42 0.00 0.02 0.00 0.00 175.26 174.13 1wki s ALA 140 N 4.97 3.54 -2.64 5.21 0.00 -1.26 -5.34 121.76 126.24 1wki s ALA 140 Ca 0.41 -2.08 0.21 0.00 0.00 0.00 0.00 51.96 50.51 1wki s ALA 140 Cb -0.08 -3.10 0.17 0.00 0.00 0.00 0.00 23.12 20.11 1wki s ALA 140 CO 0.24 -1.76 1.17 1.04 0.00 0.00 0.00 175.76 176.45