#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 -0.53 -0.03 4.03 0.20 -1.26 -5.17 118.68 115.92 1wki s LEU 2 Ca 0.00 0.37 0.05 0.00 0.69 0.00 0.00 54.13 55.24 1wki s LEU 2 Cb 0.00 2.33 -0.01 0.00 -0.43 0.00 0.00 46.19 48.08 1wki s LEU 2 CO 0.00 -0.64 -0.19 -0.32 -0.29 0.00 0.00 176.35 174.91 1wki s MET 3 N -2.10 1.77 -0.64 1.98 1.75 -1.26 -5.09 119.30 115.71 1wki s MET 3 Ca -0.04 -0.68 -0.27 0.00 -1.25 0.00 0.00 55.69 53.46 1wki s MET 3 Cb -0.00 -1.61 -0.01 0.00 2.84 0.00 0.00 34.83 36.05 1wki s MET 3 CO -0.00 0.34 1.73 -1.25 -0.65 0.00 0.00 175.02 175.18 1wki s PRO 4 N -0.21 2.76 0.42 4.11 0.04 -1.26 -4.98 135.00 135.87 1wki s PRO 4 Ca 0.01 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 1wki s PRO 4 Cb -0.10 -4.35 -0.10 0.00 0.04 0.00 0.00 34.50 29.99 1wki s PRO 4 CO 0.01 -2.60 0.92 0.50 0.04 0.00 0.00 177.00 175.87 1wki s ARG 5 N 6.74 4.17 -0.29 4.56 3.52 -1.26 -5.06 118.95 131.32 1wki s ARG 5 Ca 0.60 1.04 -0.25 0.00 -0.13 0.00 0.00 55.73 56.99 1wki s ARG 5 Cb -0.11 -2.21 0.18 0.00 -1.56 0.00 0.00 34.95 31.24 1wki s ARG 5 CO 0.19 -0.03 1.36 0.50 -0.81 0.00 0.00 175.30 176.51 1wki s ARG 6 N -3.24 0.15 0.57 5.12 3.52 -1.26 -5.16 118.95 118.65 1wki s ARG 6 Ca 0.61 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.38 1wki s ARG 6 Cb -0.09 0.07 0.04 0.00 -1.56 0.00 0.00 34.95 33.41 1wki s ARG 6 CO 0.15 -0.02 0.80 1.41 -0.81 0.00 0.00 175.30 176.83 1wki s MET 7 N -0.01 2.48 -1.39 5.12 -2.45 -1.26 -4.48 119.30 117.31 1wki s MET 7 Ca 0.07 -0.78 -0.03 0.00 -1.25 0.00 0.00 55.69 53.70 1wki s MET 7 Cb -0.05 -2.46 0.02 0.00 1.25 0.00 0.00 34.83 33.59 1wki s MET 7 CO -0.13 -0.78 0.68 1.63 1.05 0.00 0.00 175.02 177.47 1wki n LYS 8 N -2.40 -4.51 -1.35 4.11 4.76 -1.26 -4.64 118.16 112.88 1wki n LYS 8 Ca 0.08 0.55 0.18 0.00 -2.87 0.00 0.00 58.31 56.25 1wki n LYS 8 Cb 0.60 -5.06 -0.05 0.00 -1.84 0.00 0.00 35.03 28.69 1wki n LYS 8 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1wki n TYR 9 N -4.39 -3.54 -4.28 2.13 4.02 -1.26 -4.78 117.16 105.07 1wki n TYR 9 Ca -0.23 1.67 -0.34 0.00 -0.01 0.00 0.00 57.90 59.00 1wki n TYR 9 Cb 0.64 -3.08 -0.14 0.00 -0.02 0.00 0.00 39.34 36.75 1wki n TYR 9 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1wki s ARG 10 N -2.06 3.45 -0.15 -0.72 3.00 -1.26 -4.93 118.95 116.27 1wki s ARG 10 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 55.73 54.81 1wki s ARG 10 Cb 0.00 -2.87 0.11 0.00 0.00 0.00 0.00 34.95 32.19 1wki s ARG 10 CO 0.00 0.03 0.91 0.21 0.00 0.00 0.00 175.30 176.44 1wki s LYS 11 N 0.89 0.71 -0.23 3.54 2.47 -1.26 -5.15 119.74 120.70 1wki s LYS 11 Ca -0.02 0.25 -0.07 0.00 -1.56 0.00 0.00 55.97 54.58 1wki s LYS 11 Cb -0.15 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.53 1wki s LYS 11 CO 0.01 -0.21 0.06 -0.65 0.16 0.00 0.00 175.35 174.72 1wki s GLN 12 N -0.93 3.70 0.42 4.03 -0.21 -1.26 -5.09 119.66 120.31 1wki s GLN 12 Ca -0.04 -0.46 -0.19 0.00 0.02 0.00 0.00 55.36 54.70 1wki s GLN 12 Cb -0.01 -3.28 -0.10 0.00 1.00 0.00 0.00 33.01 30.62 1wki s GLN 12 CO 0.03 -0.10 0.90 -1.14 -2.12 0.00 0.00 175.29 172.87 1wki s GLN 13 N 1.37 4.13 0.05 2.91 0.74 -1.26 -5.01 119.66 122.58 1wki s GLN 13 Ca 0.05 0.98 -0.02 0.00 0.05 0.00 0.00 55.36 56.42 1wki s GLN 13 Cb -0.15 -2.23 -0.01 0.00 1.10 0.00 0.00 33.01 31.72 1wki s GLN 13 CO 0.03 -0.03 -0.03 0.54 -0.55 0.00 0.00 175.29 175.25 1wki n ARG 14 N -0.75 0.05 0.00 1.67 5.12 -1.26 -5.04 116.66 116.46 1wki n ARG 14 Ca 0.06 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1wki n ARG 14 Cb 0.54 -0.59 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wki n GLY 15 N 3.19 2.12 1.48 -0.13 0.00 -1.26 -4.95 105.19 105.64 1wki n GLY 15 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.73 -3.11 1.61 1.74 -1.26 -4.62 116.66 107.29 1wki n ARG 16 Ca 0.00 2.95 -0.45 0.00 -0.77 0.00 0.00 57.85 59.58 1wki n ARG 16 Cb 0.00 -3.85 -0.00 0.00 -1.02 0.00 0.00 32.46 27.58 1wki n ARG 16 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wki s LEU 17 N -5.98 5.64 -0.31 0.55 2.01 -1.26 -4.79 118.68 114.54 1wki s LEU 17 Ca 0.00 -3.12 0.11 0.00 0.01 0.00 0.00 54.13 51.13 1wki s LEU 17 Cb 0.00 -2.32 0.76 0.00 0.01 0.00 0.00 46.19 44.64 1wki s LEU 17 CO 0.00 -0.59 1.80 0.29 1.01 0.00 0.00 176.35 178.86 1wki n LYS 18 N 4.54 3.91 0.00 1.70 5.02 -1.26 -4.98 118.16 127.09 1wki n LYS 18 Ca 0.29 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.47 1wki n LYS 18 Cb 0.42 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 19 N -0.05 2.72 3.67 0.72 0.00 -1.26 -5.08 105.19 105.91 1wki n GLY 19 Ca 0.39 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 3.60 -0.71 4.61 0.00 -1.26 -4.96 121.76 121.04 1wki s ALA 20 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 1wki s ALA 20 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1wki s ALA 20 CO 0.00 -0.90 1.99 0.95 0.00 0.00 0.00 175.76 177.81 1wki s THR 21 N 2.79 3.32 -0.20 0.00 -4.23 -1.26 -4.94 115.64 111.12 1wki s THR 21 Ca 0.45 -0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1wki s THR 21 Cb -0.16 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 1wki s THR 21 CO 0.10 -0.76 0.01 -0.75 -0.54 0.00 0.00 174.62 172.68 1wki s LYS 22 N 7.31 3.66 0.33 3.99 2.47 -1.26 -4.72 119.74 131.52 1wki s LYS 22 Ca 0.73 -0.50 0.09 0.00 -1.56 0.00 0.00 55.97 54.74 1wki s LYS 22 Cb -0.11 -3.10 -0.05 0.00 -1.46 0.00 0.00 37.83 33.11 1wki s LYS 22 CO 0.13 0.04 0.01 0.20 0.16 0.00 0.00 175.35 175.90 1wki s GLY 23 N 0.93 2.00 0.00 5.54 0.00 -1.26 -4.45 107.32 110.09 1wki s GLY 23 Ca 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1wki s GLY 23 CO 0.02 -1.87 0.00 0.61 0.00 0.00 0.00 173.10 171.86 1wki n GLY 24 N -0.95 0.51 3.05 0.20 0.00 -1.26 -4.95 105.19 101.78 1wki n GLY 24 Ca -0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1wki n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 25 N 0.00 -0.66 -3.60 1.61 9.92 -1.14 -5.09 116.55 117.59 1wki n ASP 25 Ca 0.00 -1.26 -0.13 0.00 -0.53 0.00 0.00 54.79 52.87 1wki n ASP 25 Cb 0.00 -0.83 -0.12 0.00 -0.64 0.00 0.00 41.12 39.53 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1wki s TYR 26 N -3.09 -0.48 -0.27 1.24 6.14 -1.26 -5.04 117.35 114.58 1wki s TYR 26 Ca 0.60 0.91 -0.14 0.00 0.64 0.00 0.00 57.07 59.08 1wki s TYR 26 Cb -0.03 -0.04 -0.08 0.00 0.42 0.00 0.00 41.96 42.23 1wki s TYR 26 CO 0.44 -0.44 0.89 0.28 0.64 0.00 0.00 175.55 177.35 1wki n VAL 27 N 5.35 0.00 0.00 3.14 0.31 -1.24 -4.84 118.33 121.05 1wki n VAL 27 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1wki n VAL 27 Cb 0.50 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 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 3.30 -0.10 -4.47 3.52 0.00 -1.26 -4.94 120.51 116.57 1wki n ALA 28 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 1wki n ALA 28 Cb -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.85 0.71 -1.38 0.00 3.72 -1.26 -5.09 117.46 113.32 1wki n PHE 29 Ca 0.00 -1.61 0.19 0.00 -0.05 0.00 0.00 57.45 55.97 1wki n PHE 29 Cb 0.00 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.27 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 1.08 -1.97 0.14 1.37 0.00 -1.26 -4.61 105.19 99.94 1wki n GLY 30 Ca -0.13 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.28 0.52 -1.81 1.61 3.32 -1.04 -3.44 116.42 114.30 1wki h ASP 31 Ca 0.01 -0.92 -0.49 0.00 0.02 0.00 0.00 57.03 55.66 1wki h ASP 31 Cb 1.26 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1wki h ASP 31 CO 0.01 1.80 -0.43 -0.31 -1.72 0.00 0.00 179.24 178.60 1wki s TYR 32 N -2.57 2.91 -0.20 4.55 2.02 -0.55 0.23 117.35 123.74 1wki s TYR 32 Ca -0.18 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.08 1wki s TYR 32 Cb 0.06 -1.86 0.06 0.00 -0.40 0.00 0.00 41.96 39.82 1wki s TYR 32 CO 0.82 0.12 0.50 0.20 -1.57 0.00 0.00 175.55 175.62 1wki s GLY 33 N -4.03 -0.41 -0.31 0.71 0.00 0.21 -2.49 107.32 100.99 1wki s GLY 33 Ca 0.42 1.72 -0.19 0.00 0.00 0.00 0.00 44.72 46.67 1wki s GLY 33 CO 0.27 1.77 0.58 -2.27 0.00 0.00 0.00 173.10 173.45 1wki s LEU 34 N 1.23 4.18 0.00 0.66 1.98 0.32 -1.74 118.68 125.31 1wki s LEU 34 Ca -0.08 0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.47 1wki s LEU 34 Cb -0.07 -2.73 -0.04 0.00 0.66 0.00 0.00 46.19 44.02 1wki s LEU 34 CO -0.12 -0.46 0.07 0.54 -1.89 0.00 0.00 176.35 174.50 1wki s VAL 35 N 2.52 4.66 -0.33 1.68 0.11 -0.79 -1.54 120.40 126.70 1wki s VAL 35 Ca 0.23 -0.45 -0.15 0.00 -2.93 0.00 0.00 61.98 58.68 1wki s VAL 35 Cb -0.15 -3.13 -0.02 0.00 -1.53 0.00 0.00 36.38 31.55 1wki s VAL 35 CO 0.12 0.34 0.36 0.00 -3.33 0.00 0.00 175.10 172.59 1wki s ALA 36 N -1.20 3.50 -0.63 1.54 0.00 -0.38 -1.98 121.76 122.61 1wki s ALA 36 Ca 0.23 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1wki s ALA 36 Cb -0.12 -2.80 0.46 0.00 0.00 0.00 0.00 23.12 20.66 1wki s ALA 36 CO 0.14 -1.01 1.21 1.28 0.00 0.00 0.00 175.76 177.38 1wki n LEU 37 N 5.37 3.62 -3.61 0.00 4.77 0.28 0.14 117.00 127.58 1wki n LEU 37 Ca -0.09 -1.83 -0.13 0.00 -0.03 0.00 0.00 56.01 53.93 1wki n LEU 37 Cb 0.50 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1wki n LEU 37 CO 0.40 0.47 0.59 -0.70 -1.33 0.00 0.00 177.39 176.81 1wki s GLU 38 N -1.97 0.72 0.25 3.23 2.12 -1.25 -4.67 118.70 117.13 1wki s GLU 38 Ca 0.31 0.61 -0.31 0.00 0.36 0.00 0.00 54.97 55.94 1wki s GLU 38 Cb 0.23 0.35 -0.11 0.00 0.26 0.00 0.00 34.13 34.86 1wki s GLU 38 CO 0.09 -0.14 1.57 -2.14 -0.54 0.00 0.00 175.26 174.10 1wki s PRO 39 N -0.16 4.18 0.21 4.30 0.02 -1.26 -4.45 135.00 137.84 1wki s PRO 39 Ca -0.01 2.47 -0.23 0.00 0.02 0.00 0.00 61.00 63.25 1wki s PRO 39 Cb -0.03 -3.08 0.04 0.00 0.02 0.00 0.00 34.50 31.45 1wki s PRO 39 CO 0.00 -0.59 0.80 0.00 -0.33 0.00 0.00 177.00 176.89 1wki s ALA 40 N 0.37 -1.43 -0.32 -1.55 0.00 -1.13 -4.90 121.76 112.80 1wki s ALA 40 Ca 0.65 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.53 1wki s ALA 40 Cb -0.46 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1wki s ALA 40 CO 0.41 -1.01 0.05 -1.58 0.00 0.00 0.00 175.76 173.64 1wki s TRP 41 N -3.65 3.26 -0.29 0.00 0.51 -1.26 -1.19 118.94 116.32 1wki s TRP 41 Ca 0.10 -1.66 -0.26 0.00 -2.12 0.00 0.00 56.10 52.17 1wki s TRP 41 Cb -0.04 -2.20 0.01 0.00 -0.81 0.00 0.00 33.47 30.43 1wki s TRP 41 CO 0.03 -0.77 0.92 0.42 -0.51 0.00 0.00 176.95 177.04 1wki s ILE 42 N 1.33 4.69 0.84 2.03 -1.09 -0.44 -4.71 121.20 123.84 1wki s ILE 42 Ca -0.03 1.52 -0.12 0.00 -2.23 0.00 0.00 60.65 59.78 1wki s ILE 42 Cb -0.20 -4.25 0.10 0.00 -1.58 0.00 0.00 42.46 36.53 1wki s ILE 42 CO 0.01 -0.30 1.18 0.42 -1.23 0.00 0.00 174.94 175.02 1wki s THR 43 N 3.20 2.00 0.20 2.92 -4.23 -1.26 0.29 115.64 118.77 1wki s THR 43 Ca 0.38 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1wki s THR 43 Cb -0.14 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 70.90 1wki s THR 43 CO 0.12 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.05 1wki h ALA 44 N -1.20 0.89 -0.79 3.99 0.00 -1.97 -2.34 119.26 117.84 1wki h ALA 44 Ca -0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1wki h ALA 44 Cb 1.33 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wki h ALA 44 CO 0.64 0.21 0.44 1.96 0.00 0.00 0.00 179.25 182.49 1wki h GLN 45 N 0.85 1.10 -0.55 0.00 1.08 -1.93 -2.39 115.11 113.28 1wki h GLN 45 Ca 0.27 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.38 1wki h GLN 45 Cb -0.00 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 1wki h GLN 45 CO -0.10 0.81 0.36 1.96 -0.95 0.00 0.00 178.83 180.91 1wki h GLN 46 N 1.11 0.60 -0.00 1.46 4.20 -1.79 2.38 115.11 123.07 1wki h GLN 46 Ca 0.28 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1wki h GLN 46 Cb 0.02 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1wki h GLN 46 CO -0.05 0.39 -0.01 0.82 -0.67 0.00 0.00 178.83 179.32 1wki h ILE 47 N 0.61 1.45 0.07 2.54 2.04 -1.35 -2.69 117.51 120.19 1wki h ILE 47 Ca 0.22 -1.35 -0.17 0.00 1.00 0.00 0.00 64.86 64.57 1wki h ILE 47 Cb 0.12 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1wki h ILE 47 CO -0.06 0.35 -0.82 -0.08 0.00 0.00 0.00 178.15 177.54 1wki h GLU 48 N -0.55 0.16 -0.49 2.37 4.81 -1.23 -3.02 114.58 116.62 1wki h GLU 48 Ca 0.00 -0.27 0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1wki h GLU 48 Cb 0.58 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1wki h GLU 48 CO 0.00 1.13 0.16 0.00 -0.73 0.00 0.00 179.01 179.57 1wki h ALA 49 N -0.06 0.59 -0.31 2.92 0.00 0.39 0.37 119.26 123.16 1wki h ALA 49 Ca -0.18 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1wki h ALA 49 Cb 1.45 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 49 CO 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 179.02 1wki h ALA 50 N 1.34 0.42 -0.86 0.00 0.00 -1.52 -2.99 119.26 115.66 1wki h ALA 50 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wki h ALA 50 Cb 0.27 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1wki h ALA 50 CO -0.26 0.20 0.56 -0.09 0.00 0.00 0.00 179.25 179.67 1wki h ARG 51 N 0.35 1.09 -0.60 0.00 2.43 -1.31 0.13 114.38 116.48 1wki h ARG 51 Ca 0.08 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1wki h ARG 51 Cb 0.49 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1wki h ARG 51 CO 0.02 0.72 0.40 0.28 -1.51 0.00 0.00 179.97 179.88 1wki h VAL 52 N 1.12 1.00 0.10 0.20 2.07 -0.84 0.59 116.25 120.48 1wki h VAL 52 Ca 0.33 -0.20 -0.27 0.00 0.82 0.00 0.00 66.70 67.38 1wki h VAL 52 Cb -0.06 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1wki h VAL 52 CO -0.09 0.11 -1.17 0.00 0.02 0.00 0.00 177.57 176.44 1wki h ALA 53 N 1.67 0.13 0.12 1.67 0.00 -1.13 -2.91 119.26 118.81 1wki h ALA 53 Ca 0.26 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1wki h ALA 53 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wki h ALA 53 CO -0.08 0.82 -0.06 0.52 0.00 0.00 0.00 179.25 180.46 1wki h MET 54 N 0.19 -0.15 -0.98 0.00 2.07 0.04 -1.86 114.93 114.24 1wki h MET 54 Ca -0.14 0.01 0.08 0.00 -2.07 0.00 0.00 59.70 57.57 1wki h MET 54 Cb 1.84 0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 31.54 1wki h MET 54 CO 0.21 0.32 0.63 0.28 1.07 0.00 0.00 176.91 179.42 1wki h VAL 55 N -0.72 1.05 0.00 -2.22 2.07 0.00 -0.99 116.25 115.45 1wki h VAL 55 Ca -0.02 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1wki h VAL 55 Cb 0.54 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1wki h VAL 55 CO 0.03 0.20 -0.58 0.03 0.02 0.00 0.00 177.57 177.27 1wki h ARG 56 N 1.11 0.00 0.12 1.57 3.08 -1.56 -3.24 114.38 115.46 1wki h ARG 56 Ca 0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.48 1wki h ARG 56 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1wki h ARG 56 CO -0.18 0.58 -0.06 1.25 -1.07 0.00 0.00 179.97 180.49 1wki h HIS 57 N 0.00 -0.14 -1.09 3.04 2.76 -0.31 -3.39 115.15 116.01 1wki h HIS 57 Ca -0.01 -0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.79 1wki h HIS 57 Cb 1.05 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 1wki h HIS 57 CO 0.00 -0.06 1.36 1.19 -1.30 0.00 0.00 177.93 179.12 1wki n PHE 58 N -5.14 1.21 0.22 5.26 3.72 -1.07 -4.77 117.46 116.89 1wki n PHE 58 Ca -0.08 0.12 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 1wki n PHE 58 Cb 0.10 -2.52 0.49 0.00 -0.94 0.00 0.00 39.48 36.61 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 17.03 0.00 -1.03 -1.08 3.08 -1.88 -2.38 114.38 128.11 1wki h ARG 59 Ca -0.16 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.39 1wki h ARG 59 Cb 1.22 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.00 1wki h ARG 59 CO 1.18 0.23 0.64 0.54 -1.07 0.00 0.00 179.97 181.50 1wki n ARG 60 N -4.13 2.23 -1.18 0.04 1.74 -1.26 -5.03 116.66 109.07 1wki n ARG 60 Ca -0.02 -2.74 0.06 0.00 -0.77 0.00 0.00 57.85 54.38 1wki n ARG 60 Cb 0.30 -2.07 -0.03 0.00 -1.02 0.00 0.00 32.46 29.63 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 -0.86 -3.54 0.00 -0.13 0.00 -0.90 -4.98 105.19 94.78 1wki n GLY 61 Ca 0.54 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.02 0.71 3.12 -0.02 0.00 -1.26 -4.63 105.19 100.09 1wki n GLY 62 Ca -0.03 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 0.69 0.11 1.61 -2.85 -1.26 -4.92 119.74 111.13 1wki s LYS 63 Ca 0.00 -0.93 0.10 0.00 -1.00 0.00 0.00 55.97 54.14 1wki s LYS 63 Cb 0.00 -0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 35.25 1wki s LYS 63 CO 0.00 0.09 -0.25 0.42 0.10 0.00 0.00 175.35 175.71 1wki s ILE 64 N -1.72 2.08 -0.28 3.79 1.01 -1.26 -3.12 121.20 121.69 1wki s ILE 64 Ca -0.03 -1.65 -0.01 0.00 0.00 0.00 0.00 60.65 58.96 1wki s ILE 64 Cb -0.08 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.60 1wki s ILE 64 CO 0.00 0.07 -0.04 -0.36 0.00 0.00 0.00 174.94 174.62 1wki s PHE 65 N -1.06 3.23 -0.19 3.97 0.40 -0.12 -4.99 117.98 119.23 1wki s PHE 65 Ca 0.11 -1.94 -0.09 0.00 -0.60 0.00 0.00 56.93 54.42 1wki s PHE 65 Cb -0.10 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1wki s PHE 65 CO 0.05 -0.81 0.10 0.42 0.70 0.00 0.00 175.22 175.68 1wki s ILE 66 N 1.23 5.14 -0.10 0.64 -1.09 -1.26 -2.84 121.20 122.92 1wki s ILE 66 Ca -0.05 0.09 0.09 0.00 -2.23 0.00 0.00 60.65 58.55 1wki s ILE 66 Cb -0.19 -3.33 -0.13 0.00 -1.58 0.00 0.00 42.46 37.23 1wki s ILE 66 CO -0.03 0.46 0.04 0.54 -1.23 0.00 0.00 174.94 174.73 1wki n ARG 67 N 3.44 2.21 -2.11 2.79 1.74 -1.19 -5.01 116.66 118.52 1wki n ARG 67 Ca -0.16 -0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.52 1wki n ARG 67 Cb 0.52 -1.27 -0.00 0.00 -1.02 0.00 0.00 32.46 30.69 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 -2.27 2.77 -0.02 0.55 -4.36 -1.26 -5.05 121.20 111.56 1wki s ILE 68 Ca -0.05 0.63 -0.03 0.00 -0.26 0.00 0.00 60.65 60.93 1wki s ILE 68 Cb 0.03 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.40 1wki s ILE 68 CO 0.43 0.04 0.08 0.12 0.24 0.00 0.00 174.94 175.85 1wki s PHE 69 N -1.38 -0.02 -0.42 1.37 5.36 -1.26 -5.07 117.98 116.56 1wki s PHE 69 Ca 0.61 0.07 -0.28 0.00 -0.96 0.00 0.00 56.93 56.37 1wki s PHE 69 Cb -0.34 -0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.35 1wki s PHE 69 CO 0.43 -0.11 1.04 -1.25 -1.46 0.00 0.00 175.22 173.87 1wki s PRO 70 N -0.40 3.79 0.00 10.12 0.04 -1.26 -4.20 135.00 143.09 1wki s PRO 70 Ca -0.05 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1wki s PRO 70 Cb -0.03 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1wki s PRO 70 CO 0.00 -1.16 0.00 -0.25 0.04 0.00 0.00 177.00 175.64 1wki n ASP 71 N 7.28 2.41 -4.60 6.66 8.00 0.26 -4.60 116.55 131.97 1wki n ASP 71 Ca 0.10 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 1wki n ASP 71 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wki s LYS 72 N -1.68 3.29 -0.06 -1.24 1.02 -0.91 -4.67 119.74 115.49 1wki s LYS 72 Ca 0.00 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 1wki s LYS 72 Cb 0.00 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 1wki s LYS 72 CO 0.00 -1.91 1.40 -2.14 -0.92 0.00 0.00 175.35 171.78 1wki s PRO 73 N 5.79 4.25 0.03 -1.68 0.02 -1.26 -0.20 135.00 141.94 1wki s PRO 73 Ca 0.83 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1wki s PRO 73 Cb -0.24 -3.71 -0.04 0.00 0.02 0.00 0.00 34.50 30.53 1wki s PRO 73 CO 0.34 -0.66 0.12 1.52 -0.33 0.00 0.00 177.00 177.99 1wki s TYR 74 N 3.03 3.35 -0.05 6.54 -0.85 -1.02 -4.97 117.35 123.39 1wki s TYR 74 Ca 0.63 0.21 0.06 0.00 -0.52 0.00 0.00 57.07 57.45 1wki s TYR 74 Cb -0.29 -1.73 -0.02 0.00 0.38 0.00 0.00 41.96 40.31 1wki s TYR 74 CO 0.23 0.57 -0.23 0.95 -1.52 0.00 0.00 175.55 175.55 1wki s THR 75 N -1.32 2.22 0.00 -3.49 -4.23 -1.26 -3.26 115.64 104.29 1wki s THR 75 Ca 0.27 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1wki s THR 75 Cb -0.12 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1wki s THR 75 CO 0.19 0.57 0.00 0.29 -0.54 0.00 0.00 174.62 175.14 1wki n LYS 76 N 2.71 3.69 -1.80 3.99 5.02 -1.26 -5.07 118.16 125.44 1wki n LYS 76 Ca -0.17 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.74 1wki n LYS 76 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.56 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 2.43 3.21 0.55 1.97 0.00 -1.26 -4.93 119.74 121.72 1wki s LYS 77 Ca 0.00 2.23 -0.19 0.00 0.00 0.00 0.00 55.97 58.01 1wki s LYS 77 Cb 0.00 -2.30 -0.08 0.00 0.00 0.00 0.00 37.83 35.46 1wki s LYS 77 CO 0.00 -1.13 0.77 -2.30 0.00 0.00 0.00 175.35 172.68 1wki n PRO 78 N -0.94 0.78 -3.67 1.78 -0.02 -1.26 -5.00 135.00 126.67 1wki n PRO 78 Ca 0.10 0.30 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 1wki n PRO 78 Cb 0.45 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1wki n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wki s LEU 79 N -0.50 4.14 -0.18 2.45 2.01 -1.26 -5.02 118.68 120.32 1wki s LEU 79 Ca 0.71 0.11 0.16 0.00 0.01 0.00 0.00 54.13 55.11 1wki s LEU 79 Cb -0.46 -2.95 0.69 0.00 0.01 0.00 0.00 46.19 43.49 1wki s LEU 79 CO 0.52 -0.24 1.61 -1.84 1.01 0.00 0.00 176.35 177.41 1wki n GLU 80 N -1.58 3.98 -3.82 1.70 -0.00 -1.26 -4.86 120.64 114.79 1wki n GLU 80 Ca -0.06 -2.95 -0.36 0.00 -0.00 0.00 0.00 57.16 53.79 1wki n GLU 80 Cb 0.57 -2.00 -0.13 0.00 -0.00 0.00 0.00 31.44 29.88 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1wki s VAL 81 N -2.44 3.27 0.13 3.84 1.01 -1.26 -4.96 120.40 119.99 1wki s VAL 81 Ca 0.49 -1.61 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 1wki s VAL 81 Cb 0.36 -3.02 -0.15 0.00 0.00 0.00 0.00 36.38 33.57 1wki s VAL 81 CO 0.16 -0.36 1.34 0.03 0.00 0.00 0.00 175.10 176.28 1wki h ARG 82 N 8.06 0.61 -7.17 2.72 3.08 -1.92 -3.46 114.38 116.31 1wki h ARG 82 Ca -0.18 -0.52 -0.42 0.00 0.07 0.00 0.00 59.98 58.93 1wki h ARG 82 Cb 1.06 0.12 0.20 0.00 0.08 0.00 0.00 29.97 31.43 1wki h ARG 82 CO 0.61 1.14 0.01 1.41 -1.07 0.00 0.00 179.97 182.07 1wki s MET 83 N -3.62 -1.35 0.00 0.04 1.75 -1.26 -4.68 119.30 110.19 1wki s MET 83 Ca -0.08 0.52 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 1wki s MET 83 Cb 0.09 -1.53 0.00 0.00 2.84 0.00 0.00 34.83 36.23 1wki s MET 83 CO 0.88 -3.92 0.00 0.41 -0.65 0.00 0.00 175.02 171.74 1wki n GLY 84 N 0.54 0.25 1.61 2.11 0.00 -1.26 -4.71 105.19 103.73 1wki n GLY 84 Ca 0.06 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.40 1wki n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 85 N 0.00 4.20 0.00 1.61 4.76 -1.26 -5.02 118.16 122.44 1wki n LYS 85 Ca 0.00 -3.01 0.00 0.00 -2.87 0.00 0.00 58.31 52.43 1wki n LYS 85 Cb 0.00 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 86 N 0.60 -0.41 0.02 0.72 0.00 -1.26 -4.98 105.19 99.88 1wki n GLY 86 Ca 0.26 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1wki n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 87 N 0.00 0.22 -3.96 1.61 4.76 -1.26 -4.71 118.16 114.81 1wki n LYS 87 Ca 0.00 0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 55.11 1wki n LYS 87 Cb 0.00 -1.07 -0.14 0.00 -1.84 0.00 0.00 35.03 31.98 1wki n LYS 87 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wki s GLY 88 N -4.29 1.57 -0.17 0.72 0.00 -1.26 -4.99 107.32 98.90 1wki s GLY 88 Ca -0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 1wki s GLY 88 CO 0.08 0.39 -0.14 0.21 0.00 0.00 0.00 173.10 173.64 1wki s ASN 89 N 1.42 3.71 0.39 1.64 3.84 -1.26 -5.05 114.94 119.64 1wki s ASN 89 Ca 0.05 -0.48 -0.27 0.00 0.21 0.00 0.00 52.86 52.38 1wki s ASN 89 Cb -0.14 -1.59 -0.09 0.00 -0.55 0.00 0.00 41.25 38.88 1wki s ASN 89 CO -0.05 0.05 1.34 0.54 -2.79 0.00 0.00 177.10 176.19 1wki s VAL 90 N 1.04 2.52 -0.36 -5.21 0.11 -1.26 -4.92 120.40 112.31 1wki s VAL 90 Ca -0.01 0.48 0.04 0.00 -2.93 0.00 0.00 61.98 59.55 1wki s VAL 90 Cb -0.15 -3.29 0.54 0.00 -1.53 0.00 0.00 36.38 31.96 1wki s VAL 90 CO -0.03 0.08 1.72 -0.62 -3.33 0.00 0.00 175.10 172.93 1wki n GLU 91 N 0.25 2.09 0.00 1.54 -0.58 -1.20 -5.00 120.64 117.73 1wki n GLU 91 Ca 0.03 -2.41 0.00 0.00 -0.42 0.00 0.00 57.16 54.36 1wki n GLU 91 Cb 0.43 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 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 -0.76 2.42 3.66 0.62 0.00 -1.26 -4.96 105.19 104.92 1wki n GLY 92 Ca 0.47 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.30 2.79 0.43 1.61 2.02 -1.26 -2.42 117.35 118.21 1wki s TYR 93 Ca 0.00 -0.18 0.04 0.00 -0.37 0.00 0.00 57.07 56.56 1wki s TYR 93 Cb 0.00 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1wki s TYR 93 CO 0.00 0.56 0.04 0.14 -1.57 0.00 0.00 175.55 174.72 1wki s VAL 94 N -2.03 1.27 -0.28 0.71 -7.23 0.71 -3.68 120.40 109.86 1wki s VAL 94 Ca 0.29 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1wki s VAL 94 Cb -0.08 -2.54 0.08 0.00 0.56 0.00 0.00 36.38 34.41 1wki s VAL 94 CO 0.20 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.00 1wki s ALA 95 N -2.98 2.11 0.15 1.32 0.00 0.15 -0.58 121.76 121.92 1wki s ALA 95 Ca 0.23 -1.77 -0.31 0.00 0.00 0.00 0.00 51.96 50.10 1wki s ALA 95 Cb 0.05 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.45 1wki s ALA 95 CO 0.12 -1.46 1.49 0.08 0.00 0.00 0.00 175.76 175.98 1wki s VAL 96 N 1.32 2.91 0.20 0.00 1.01 -1.26 -1.33 120.40 123.26 1wki s VAL 96 Ca 0.03 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1wki s VAL 96 Cb -0.18 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1wki s VAL 96 CO -0.12 0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.20 1wki s VAL 97 N 1.08 1.74 0.16 2.92 1.01 -0.33 -4.98 120.40 122.00 1wki s VAL 97 Ca 0.67 -2.21 0.05 0.00 0.00 0.00 0.00 61.98 60.49 1wki s VAL 97 Cb -0.41 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1wki s VAL 97 CO 0.31 -0.60 -0.11 -1.59 0.00 0.00 0.00 175.10 173.12 1wki s LYS 98 N -3.64 1.11 -0.15 2.72 0.00 -1.26 -2.85 119.74 115.67 1wki s LYS 98 Ca 0.22 -1.48 -0.36 0.00 0.00 0.00 0.00 55.97 54.36 1wki s LYS 98 Cb -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 37.83 37.00 1wki s LYS 98 CO 0.07 0.09 1.87 -2.30 0.00 0.00 0.00 175.35 175.08 1wki n PRO 99 N -0.23 1.90 -0.90 1.78 -0.02 -1.23 -2.27 135.00 134.03 1wki n PRO 99 Ca -0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1wki n PRO 99 Cb 0.61 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wki n GLY 100 N 4.47 1.07 3.26 -1.23 0.00 0.36 -4.90 105.19 108.23 1wki n GLY 100 Ca 0.24 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1wki n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 101 N -1.93 3.23 -0.66 1.61 3.00 -0.96 -2.87 118.95 120.37 1wki s ARG 101 Ca 0.00 -0.73 -0.26 0.00 -1.00 0.00 0.00 55.73 53.74 1wki s ARG 101 Cb 0.00 -2.70 0.04 0.00 0.00 0.00 0.00 34.95 32.29 1wki s ARG 101 CO 0.00 -0.05 1.15 0.08 0.00 0.00 0.00 175.30 176.48 1wki s VAL 102 N 0.99 4.00 -0.16 7.11 1.01 -1.26 -1.25 120.40 130.84 1wki s VAL 102 Ca -0.02 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1wki s VAL 102 Cb -0.15 -4.78 -0.23 0.00 0.00 0.00 0.00 36.38 31.23 1wki s VAL 102 CO -0.02 -1.57 0.22 1.15 0.00 0.00 0.00 175.10 174.88 1wki n MET 103 N 8.58 0.68 -4.36 2.72 0.00 -0.59 -4.82 117.12 119.33 1wki n MET 103 Ca 0.03 0.18 -0.22 0.00 0.00 0.00 0.00 57.70 57.68 1wki n MET 103 Cb 0.48 -1.64 -0.11 0.00 0.00 0.00 0.00 33.22 31.96 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 -2.54 1.90 -0.30 3.17 0.40 -1.17 -3.17 117.98 116.27 1wki s PHE 104 Ca -0.18 -0.46 -0.09 0.00 -0.60 0.00 0.00 56.93 55.60 1wki s PHE 104 Cb 0.07 -0.91 0.17 0.00 0.51 0.00 0.00 43.02 42.86 1wki s PHE 104 CO 0.76 0.41 0.77 -1.83 0.70 0.00 0.00 175.22 176.02 1wki s GLU 105 N -3.08 0.45 0.43 0.44 1.03 -1.13 0.12 118.70 116.96 1wki s GLU 105 Ca 0.20 0.97 0.05 0.00 0.03 0.00 0.00 54.97 56.22 1wki s GLU 105 Cb -0.05 0.56 0.01 0.00 -0.80 0.00 0.00 34.13 33.86 1wki s GLU 105 CO 0.08 -0.32 0.60 0.14 -1.33 0.00 0.00 175.26 174.43 1wki s VAL 106 N 2.80 3.36 -0.21 1.83 -7.23 -1.04 -0.94 120.40 118.96 1wki s VAL 106 Ca 0.05 -0.86 -0.27 0.00 -1.81 0.00 0.00 61.98 59.08 1wki s VAL 106 Cb -0.11 -3.18 0.09 0.00 0.56 0.00 0.00 36.38 33.74 1wki s VAL 106 CO -0.18 -0.09 0.80 0.00 -0.31 0.00 0.00 175.10 175.33 1wki s ALA 107 N -2.41 -1.83 0.00 1.32 0.00 -1.18 -0.37 121.76 117.28 1wki s ALA 107 Ca 0.52 1.80 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1wki s ALA 107 Cb -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1wki s ALA 107 CO 0.34 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1wki n GLY 108 N 2.01 3.07 3.90 0.00 0.00 -1.26 -4.00 105.19 108.91 1wki n GLY 108 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.39 4.91 1.05 1.61 -7.23 -1.26 -5.00 120.40 112.09 1wki s VAL 109 Ca 0.00 0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.26 1wki s VAL 109 Cb 0.00 -3.82 0.22 0.00 0.56 0.00 0.00 36.38 33.34 1wki s VAL 109 CO 0.00 -0.69 1.07 0.42 -0.31 0.00 0.00 175.10 175.59 1wki s THR 110 N -2.54 2.07 0.11 5.32 -4.23 -1.26 -4.66 115.64 110.44 1wki s THR 110 Ca 0.47 0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.83 1wki s THR 110 Cb -0.10 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 1wki s THR 110 CO 0.39 -0.03 1.61 -0.08 -0.54 0.00 0.00 174.62 175.97 1wki h GLU 111 N -2.12 0.49 -0.45 3.99 4.81 -1.97 0.65 114.58 119.97 1wki h GLU 111 Ca -0.57 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 58.58 1wki h GLU 111 Cb 1.33 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 1wki h GLU 111 CO 0.55 0.56 0.24 1.49 -0.73 0.00 0.00 179.01 181.12 1wki h GLU 112 N 0.34 0.47 -0.04 1.92 4.81 -1.98 0.73 114.58 120.83 1wki h GLU 112 Ca 0.10 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.06 1wki h GLU 112 Cb 0.28 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.57 1wki h GLU 112 CO -0.00 0.31 -0.90 1.96 -0.73 0.00 0.00 179.01 179.65 1wki h GLN 113 N 0.48 0.68 -0.13 1.92 1.08 -1.90 -2.17 115.11 115.07 1wki h GLN 113 Ca 0.19 -0.68 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1wki h GLN 113 Cb 0.07 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1wki h GLN 113 CO -0.12 1.27 0.03 0.00 -0.95 0.00 0.00 178.83 179.06 1wki h ALA 114 N 0.43 0.17 0.01 3.87 0.00 0.56 0.94 119.26 125.24 1wki h ALA 114 Ca -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wki h ALA 114 Cb 1.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1wki h ALA 114 CO 0.18 -0.18 -0.00 0.52 0.00 0.00 0.00 179.25 179.77 1wki h MET 115 N 0.00 -0.01 -0.17 0.00 2.86 0.39 -1.03 114.93 116.98 1wki h MET 115 Ca 0.04 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1wki h MET 115 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1wki h MET 115 CO 0.00 0.17 0.09 1.49 1.06 0.00 0.00 176.91 179.73 1wki h GLU 116 N -0.19 0.19 -0.29 1.72 4.81 -1.39 -0.56 114.58 118.87 1wki h GLU 116 Ca -0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1wki h GLU 116 Cb 0.19 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1wki h GLU 116 CO 0.00 0.13 0.05 0.00 -0.73 0.00 0.00 179.01 178.46 1wki h ALA 117 N 1.08 0.30 -0.14 2.92 0.00 -0.75 0.19 119.26 122.85 1wki h ALA 117 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wki h ALA 117 Cb -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wki h ALA 117 CO -0.03 -0.36 0.01 -0.07 0.00 0.00 0.00 179.25 178.80 1wki h LEU 118 N 0.15 0.17 -0.17 0.00 4.07 -0.94 -2.10 115.31 116.50 1wki h LEU 118 Ca 0.14 -0.02 -0.23 0.00 0.08 0.00 0.00 57.88 57.86 1wki h LEU 118 Cb 0.15 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.86 1wki h LEU 118 CO -0.19 0.20 -0.80 0.03 -1.08 0.00 0.00 178.44 176.61 1wki h ARG 119 N 0.20 0.76 -0.94 1.13 -0.00 0.30 -3.07 114.38 112.74 1wki h ARG 119 Ca 0.05 -0.64 0.05 0.00 -0.50 0.00 0.00 59.98 58.94 1wki h ARG 119 Cb 0.12 0.14 -0.06 0.00 0.00 0.00 0.00 29.97 30.17 1wki h ARG 119 CO 0.00 1.24 0.61 0.82 0.00 0.00 0.00 179.97 182.65 1wki h ILE 120 N 0.51 1.12 -0.03 2.04 2.04 -0.02 0.38 117.51 123.55 1wki h ILE 120 Ca -0.06 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1wki h ILE 120 Cb 1.43 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1wki h ILE 120 CO 0.16 0.21 0.01 0.00 0.00 0.00 0.00 178.15 178.53 1wki h ALA 121 N 1.47 0.03 0.00 1.87 0.00 -1.45 -2.62 119.26 118.56 1wki h ALA 121 Ca 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1wki h ALA 121 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wki h ALA 121 CO -0.13 -0.41 -0.04 0.78 0.00 0.00 0.00 179.25 179.44 1wki h GLY 122 N -0.07 0.00 0.89 0.00 0.00 -1.34 -3.12 103.07 99.44 1wki h GLY 122 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1wki h GLY 122 CO -0.00 0.00 0.63 0.45 0.00 0.00 0.00 176.54 177.62 1wki h HIS 123 N 0.00 1.17 -0.18 5.60 -0.00 0.13 -0.49 115.15 121.39 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 0.67 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1wki h HIS 123 CO 0.00 0.66 0.00 0.36 -0.00 0.00 0.00 177.93 178.95 1wki n LYS 124 N -4.45 1.86 -2.68 2.45 0.00 -1.18 -4.92 118.16 109.23 1wki n LYS 124 Ca 0.13 -1.28 -0.31 0.00 -0.00 0.00 0.00 58.31 56.85 1wki n LYS 124 Cb 0.12 -1.42 -0.03 0.00 -0.00 0.00 0.00 35.03 33.70 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 -1.61 3.74 -0.09 -5.58 1.43 -0.19 -4.97 118.68 111.40 1wki s LEU 125 Ca 0.34 1.25 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1wki s LEU 125 Cb 0.19 -4.15 0.28 0.00 0.03 0.00 0.00 46.19 42.53 1wki s LEU 125 CO 0.28 -0.48 0.96 -0.81 0.23 0.00 0.00 176.35 176.53 1wki n PRO 126 N -1.48 2.26 -3.92 1.29 -0.04 -1.26 -4.87 135.00 126.97 1wki n PRO 126 Ca 0.03 -1.07 -0.09 0.00 -0.04 0.00 0.00 63.50 62.33 1wki n PRO 126 Cb 0.54 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.56 0.03 0.18 0.52 -5.25 -1.26 -4.94 121.20 108.92 1wki s ILE 127 Ca 0.19 -1.23 -0.30 0.00 -0.99 0.00 0.00 60.65 58.32 1wki s ILE 127 Cb 0.14 -1.92 -0.08 0.00 2.95 0.00 0.00 42.46 43.56 1wki s ILE 127 CO 0.05 -0.13 0.99 -0.75 -1.79 0.00 0.00 174.94 173.31 1wki s LYS 128 N -3.96 4.74 0.02 0.37 2.36 -1.26 -4.91 119.74 117.08 1wki s LYS 128 Ca 0.17 1.53 -0.01 0.00 -2.55 0.00 0.00 55.97 55.12 1wki s LYS 128 Cb 0.00 -3.31 -0.02 0.00 -1.05 0.00 0.00 37.83 33.46 1wki s LYS 128 CO 0.03 0.30 -0.01 0.95 1.55 0.00 0.00 175.35 178.18 1wki s THR 129 N -0.55 0.10 0.23 3.43 -4.23 -1.26 0.10 115.64 113.47 1wki s THR 129 Ca 0.45 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 1wki s THR 129 Cb -0.26 -0.26 -0.05 0.00 1.34 0.00 0.00 72.50 73.26 1wki s THR 129 CO 0.32 -0.45 0.01 -1.59 -0.54 0.00 0.00 174.62 172.37 1wki s LYS 130 N -1.34 1.35 -0.01 3.99 -2.85 -0.84 -4.95 119.74 115.08 1wki s LYS 130 Ca -0.15 -1.69 -0.09 0.00 -1.00 0.00 0.00 55.97 53.05 1wki s LYS 130 Cb -0.09 -0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 35.05 1wki s LYS 130 CO -0.01 -0.12 0.29 0.42 0.10 0.00 0.00 175.35 176.03 1wki s ILE 131 N -3.45 5.26 -0.14 3.79 -1.09 -1.26 -1.89 121.20 122.41 1wki s ILE 131 Ca 0.29 0.35 -0.10 0.00 -2.23 0.00 0.00 60.65 58.96 1wki s ILE 131 Cb 0.06 -3.57 0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1wki s ILE 131 CO 0.09 0.45 0.36 0.68 -1.23 0.00 0.00 174.94 175.30 1wki s VAL 132 N -1.21 -0.02 -0.27 2.92 -7.23 -0.71 -4.98 120.40 108.91 1wki s VAL 132 Ca 0.25 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 60.32 1wki s VAL 132 Cb -0.14 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 1wki s VAL 132 CO 0.13 0.02 0.40 -0.60 -0.31 0.00 0.00 175.10 174.74 1wki s ARG 133 N 0.81 4.02 0.17 4.82 3.52 -1.25 0.66 118.95 131.70 1wki s ARG 133 Ca -0.05 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1wki s ARG 133 Cb -0.06 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1wki s ARG 133 CO -0.06 -0.30 0.00 0.54 -0.81 0.00 0.00 175.30 174.68 1wki n ARG 134 N 5.37 0.00 -1.85 5.12 3.00 0.14 0.11 116.66 128.55 1wki n ARG 134 Ca -0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.43 1wki n ARG 134 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 32.46 33.01 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1wki n ASP 135 N 3.41 6.67 -4.07 0.55 -0.08 -1.26 -3.69 116.55 118.08 1wki n ASP 135 Ca 0.00 -3.79 -0.35 0.00 -1.51 0.00 0.00 54.79 49.14 1wki n ASP 135 Cb 0.00 -0.82 -0.12 0.00 2.34 0.00 0.00 41.12 42.53 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 -3.83 3.33 -0.46 -1.67 0.00 0.31 -5.02 121.76 114.42 1wki s ALA 136 Ca 0.55 -2.95 0.03 0.00 0.00 0.00 0.00 51.96 49.59 1wki s ALA 136 Cb 0.45 -2.43 0.13 0.00 0.00 0.00 0.00 23.12 21.28 1wki s ALA 136 CO -0.18 -1.95 0.24 0.71 0.00 0.00 0.00 175.76 174.59 1wki s TYR 137 N 0.40 2.32 0.06 0.00 1.51 -1.26 -3.84 117.35 116.52 1wki s TYR 137 Ca 0.13 -2.63 -0.30 0.00 -1.01 0.00 0.00 57.07 53.26 1wki s TYR 137 Cb -0.22 -2.15 -0.09 0.00 -0.11 0.00 0.00 41.96 39.39 1wki s TYR 137 CO -0.04 -0.77 1.95 0.34 -1.11 0.00 0.00 175.55 175.92 1wki s ASP 138 N 0.18 6.44 -0.16 2.29 2.15 -1.26 -4.96 116.67 121.33 1wki s ASP 138 Ca 0.17 2.71 -0.14 0.00 0.43 0.00 0.00 52.55 55.72 1wki s ASP 138 Cb -0.25 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.79 1wki s ASP 138 CO 0.00 -1.05 0.30 -1.61 -0.17 0.00 0.00 175.17 172.64 1wki s GLU 139 N 4.13 4.26 -0.60 4.34 2.02 -1.26 -4.89 118.70 126.69 1wki s GLU 139 Ca 0.87 0.10 -0.25 0.00 0.02 0.00 0.00 54.97 55.71 1wki s GLU 139 Cb -0.44 -3.43 0.04 0.00 0.10 0.00 0.00 34.13 30.40 1wki s GLU 139 CO 0.41 0.22 1.06 0.00 0.02 0.00 0.00 175.26 176.97 1wki s ALA 140 N 0.53 3.05 0.00 5.21 0.00 -1.26 -5.10 121.76 124.18 1wki s ALA 140 Ca 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1wki s ALA 140 Cb -0.13 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1wki s ALA 140 CO 0.04 -2.65 0.00 1.04 0.00 0.00 0.00 175.76 174.19