#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki n LEU 2 N 0.00 0.68 -4.08 4.03 7.94 -1.26 -4.97 117.00 119.34 1wki n LEU 2 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 1wki n LEU 2 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1wki n LEU 2 CO 0.00 -0.02 0.02 -0.04 -1.11 0.00 0.00 177.39 176.25 1wki s MET 3 N -1.83 2.53 1.10 1.96 -1.94 -1.26 -5.10 119.30 114.76 1wki s MET 3 Ca 0.00 -2.57 -0.18 0.00 -1.71 0.00 0.00 55.69 51.23 1wki s MET 3 Cb 0.00 -3.69 0.13 0.00 2.01 0.00 0.00 34.83 33.27 1wki s MET 3 CO 0.00 -1.17 0.07 -2.30 -0.01 0.00 0.00 175.02 171.61 1wki n PRO 4 N 3.40 -1.92 -2.43 2.03 -0.02 -1.26 -4.90 135.00 129.90 1wki n PRO 4 Ca 0.08 -0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 60.60 1wki n PRO 4 Cb 0.37 -1.60 -0.04 0.00 -0.02 0.00 0.00 33.50 32.22 1wki n PRO 4 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1wki s ARG 5 N -3.45 4.56 -0.30 -0.52 1.70 -1.26 -5.02 118.95 114.65 1wki s ARG 5 Ca 0.49 1.83 -0.01 0.00 -0.47 0.00 0.00 55.73 57.57 1wki s ARG 5 Cb -0.09 -3.23 0.10 0.00 -0.57 0.00 0.00 34.95 31.17 1wki s ARG 5 CO 0.55 0.04 0.09 -0.98 -1.08 0.00 0.00 175.30 173.92 1wki s ARG 6 N -0.71 0.70 0.61 3.89 1.70 -1.26 -5.13 118.95 118.75 1wki s ARG 6 Ca 0.49 -1.02 -0.16 0.00 -0.47 0.00 0.00 55.73 54.57 1wki s ARG 6 Cb -0.32 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.06 1wki s ARG 6 CO 0.38 -0.97 1.08 0.00 -1.08 0.00 0.00 175.30 174.71 1wki s MET 7 N 1.64 3.18 -0.14 3.89 0.23 -1.26 -5.06 119.30 121.78 1wki s MET 7 Ca 0.09 1.29 -0.04 0.00 -1.03 0.00 0.00 55.69 56.01 1wki s MET 7 Cb -0.17 -2.01 0.06 0.00 -1.53 0.00 0.00 34.83 31.18 1wki s MET 7 CO -0.25 -0.94 0.13 0.15 -2.03 0.00 0.00 175.02 172.08 1wki s LYS 8 N -4.00 0.06 -1.13 3.16 -0.14 -1.26 -4.89 119.74 111.54 1wki s LYS 8 Ca 0.65 0.17 -0.01 0.00 -1.36 0.00 0.00 55.97 55.43 1wki s LYS 8 Cb -0.18 -1.19 -0.01 0.00 -1.68 0.00 0.00 37.83 34.76 1wki s LYS 8 CO 0.37 -0.55 0.95 0.66 -0.76 0.00 0.00 175.35 176.03 1wki n TYR 9 N 5.30 -2.17 -3.86 3.18 4.02 -1.26 -5.00 117.16 117.37 1wki n TYR 9 Ca -0.06 0.89 -0.36 0.00 -0.01 0.00 0.00 57.90 58.37 1wki n TYR 9 Cb 0.49 -4.82 -0.14 0.00 -0.02 0.00 0.00 39.34 34.86 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 -5.13 3.26 0.09 -0.72 0.52 -1.26 -5.10 118.95 110.61 1wki s ARG 10 Ca 0.08 -0.71 0.07 0.00 -0.52 0.00 0.00 55.73 54.65 1wki s ARG 10 Cb -0.01 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 1wki s ARG 10 CO 0.71 -0.28 -0.14 0.15 0.02 0.00 0.00 175.30 175.76 1wki s LYS 11 N 1.48 2.04 0.98 3.54 1.02 -1.26 -5.12 119.74 122.42 1wki s LYS 11 Ca 0.04 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 54.87 1wki s LYS 11 Cb -0.15 -2.24 0.18 0.00 -0.52 0.00 0.00 37.83 35.10 1wki s LYS 11 CO -0.01 0.51 1.09 -1.14 -0.92 0.00 0.00 175.35 174.87 1wki s GLN 12 N -2.00 0.52 -0.26 1.68 0.74 -1.26 -5.01 119.66 114.06 1wki s GLN 12 Ca 0.19 1.07 -0.05 0.00 0.05 0.00 0.00 55.36 56.61 1wki s GLN 12 Cb -0.11 -1.70 0.00 0.00 1.10 0.00 0.00 33.01 32.30 1wki s GLN 12 CO 0.11 -2.82 0.03 -1.14 -0.55 0.00 0.00 175.29 170.91 1wki s GLN 13 N -4.69 3.23 0.00 1.67 0.74 -1.26 -4.88 119.66 114.46 1wki s GLN 13 Ca 0.66 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 55.32 1wki s GLN 13 Cb -0.22 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1wki s GLN 13 CO 0.60 -0.33 0.00 -2.13 -0.55 0.00 0.00 175.29 172.88 1wki n ARG 14 N 4.83 0.00 -4.75 1.67 0.63 -1.26 -5.11 116.66 112.67 1wki n ARG 14 Ca -0.16 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.53 1wki n ARG 14 Cb 0.49 -0.13 -0.15 0.00 0.45 0.00 0.00 32.46 33.12 1wki n ARG 14 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1wki s GLY 15 N -4.48 0.82 0.57 5.14 0.00 -1.26 -5.07 107.32 103.03 1wki s GLY 15 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1wki s GLY 15 CO 0.00 -0.62 0.00 -2.13 0.00 0.00 0.00 173.10 170.35 1wki n ARG 16 N 2.59 -3.28 -5.09 2.90 3.00 -1.26 -4.93 116.66 110.59 1wki n ARG 16 Ca -0.15 2.57 -0.29 0.00 -0.00 0.00 0.00 57.85 59.98 1wki n ARG 16 Cb 0.54 -3.87 -0.15 0.00 0.00 0.00 0.00 32.46 28.98 1wki n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1wki s LEU 17 N -7.29 2.08 -0.02 6.15 2.01 -1.26 -5.03 118.68 115.33 1wki s LEU 17 Ca 0.00 -0.48 0.16 0.00 0.01 0.00 0.00 54.13 53.82 1wki s LEU 17 Cb 0.00 -1.23 -0.20 0.00 0.01 0.00 0.00 46.19 44.78 1wki s LEU 17 CO 0.00 0.28 0.63 2.29 1.01 0.00 0.00 176.35 180.55 1wki n LYS 18 N 2.27 0.64 -0.08 1.70 2.85 -1.26 -4.60 118.16 119.68 1wki n LYS 18 Ca -0.16 0.19 -0.08 0.00 -1.05 0.00 0.00 58.31 57.21 1wki n LYS 18 Cb 0.52 -1.74 -0.03 0.00 -0.65 0.00 0.00 35.03 33.13 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wki n GLY 19 N 1.50 -0.83 3.76 2.58 0.00 -1.26 -4.94 105.19 106.00 1wki n GLY 19 Ca -0.16 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.74 3.39 -1.40 4.61 0.00 -1.26 -4.92 121.76 119.44 1wki s ALA 20 Ca -0.20 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 1wki s ALA 20 Cb 0.03 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1wki s ALA 20 CO 0.31 -0.35 2.78 0.25 0.00 0.00 0.00 175.76 178.75 1wki n THR 21 N 0.89 4.57 -4.41 0.00 -2.24 -1.26 -4.65 114.28 107.18 1wki n THR 21 Ca 0.00 -3.17 -0.28 0.00 -2.27 0.00 0.00 64.05 58.33 1wki n THR 21 Cb 0.44 -2.36 -0.08 0.00 -2.10 0.00 0.00 70.33 66.24 1wki n THR 21 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1wki s LYS 22 N 0.78 2.14 0.00 -0.78 -2.85 -1.26 -5.05 119.74 112.72 1wki s LYS 22 Ca 0.64 -2.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 1wki s LYS 22 Cb 0.20 -1.78 0.00 0.00 -2.06 0.00 0.00 37.83 34.19 1wki s LYS 22 CO -0.08 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.57 1wki n GLY 23 N -1.22 -0.02 0.00 0.59 0.00 -1.26 -4.55 105.19 98.72 1wki n GLY 23 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.25 1.33 3.59 -0.02 0.00 -1.26 -4.90 105.19 102.67 1wki n GLY 24 Ca 0.00 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1wki n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wki s ASP 25 N -4.00 6.28 -0.17 1.61 1.11 -1.25 -4.92 116.67 115.33 1wki s ASP 25 Ca 0.00 0.18 -0.09 0.00 0.18 0.00 0.00 52.55 52.83 1wki s ASP 25 Cb 0.00 -2.23 -0.07 0.00 1.07 0.00 0.00 42.92 41.69 1wki s ASP 25 CO 0.00 -0.27 -0.22 0.00 1.18 0.00 0.00 175.17 175.86 1wki n TYR 26 N 5.44 0.00 -3.64 4.23 4.11 -1.26 -4.60 117.16 121.43 1wki n TYR 26 Ca -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.80 1wki n TYR 26 Cb 0.50 -0.60 -0.07 0.00 -0.00 0.00 0.00 39.34 39.18 1wki n TYR 26 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1wki s VAL 27 N -2.32 0.00 -0.46 -3.48 1.01 -1.26 -4.26 120.40 109.64 1wki s VAL 27 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1wki s VAL 27 Cb 0.09 -1.00 0.12 0.00 0.00 0.00 0.00 36.38 35.59 1wki s VAL 27 CO 0.30 0.00 0.31 0.00 0.00 0.00 0.00 175.10 175.70 1wki s ALA 28 N 1.06 3.33 0.44 5.51 0.00 -1.26 -4.91 121.76 125.92 1wki s ALA 28 Ca -0.06 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.35 1wki s ALA 28 Cb -0.04 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1wki s ALA 28 CO -0.13 -1.88 0.00 1.19 0.00 0.00 0.00 175.76 174.94 1wki n PHE 29 N 4.79 -3.44 -3.30 0.00 3.72 -1.26 -4.64 117.46 113.33 1wki n PHE 29 Ca -0.06 1.80 0.04 0.00 -0.05 0.00 0.00 57.45 59.18 1wki n PHE 29 Cb 0.41 -3.13 -0.01 0.00 -0.94 0.00 0.00 39.48 35.81 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 -4.16 -1.66 0.13 1.37 0.00 -1.26 -4.67 105.19 94.94 1wki n GLY 30 Ca -0.03 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 1wki n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 31 N -1.74 1.99 -4.91 1.61 9.92 0.10 -4.80 116.55 118.72 1wki n ASP 31 Ca 0.00 0.07 -0.21 0.00 -0.53 0.00 0.00 54.79 54.13 1wki n ASP 31 Cb 0.12 -0.62 -0.02 0.00 -0.64 0.00 0.00 41.12 39.96 1wki n ASP 31 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wki s TYR 32 N -2.51 2.55 -0.24 1.24 2.02 0.15 0.17 117.35 120.73 1wki s TYR 32 Ca -0.33 -0.52 -0.17 0.00 -0.37 0.00 0.00 57.07 55.68 1wki s TYR 32 Cb 0.10 -2.19 0.07 0.00 -0.40 0.00 0.00 41.96 39.54 1wki s TYR 32 CO 0.61 -0.27 0.61 0.20 -1.57 0.00 0.00 175.55 175.13 1wki s GLY 33 N -4.21 -0.51 -0.33 0.71 0.00 0.32 -2.51 107.32 100.79 1wki s GLY 33 Ca 0.49 1.99 -0.20 0.00 0.00 0.00 0.00 44.72 47.00 1wki s GLY 33 CO 0.29 1.91 0.61 -2.27 0.00 0.00 0.00 173.10 173.63 1wki s LEU 34 N 1.06 4.21 -0.02 0.66 1.98 0.31 -1.22 118.68 125.65 1wki s LEU 34 Ca -0.06 0.25 -0.01 0.00 -2.89 0.00 0.00 54.13 51.42 1wki s LEU 34 Cb -0.05 -2.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.00 1wki s LEU 34 CO -0.10 -0.51 0.10 0.54 -1.89 0.00 0.00 176.35 174.48 1wki s VAL 35 N 2.60 4.88 -0.42 1.68 0.11 -0.86 -0.66 120.40 127.72 1wki s VAL 35 Ca 0.24 -0.30 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 1wki s VAL 35 Cb -0.15 -3.22 0.02 0.00 -1.53 0.00 0.00 36.38 31.51 1wki s VAL 35 CO 0.13 0.39 0.43 0.00 -3.33 0.00 0.00 175.10 172.72 1wki s ALA 36 N -1.18 3.43 -2.03 1.54 0.00 0.44 -2.21 121.76 121.75 1wki s ALA 36 Ca 0.22 -1.54 0.18 0.00 0.00 0.00 0.00 51.96 50.82 1wki s ALA 36 Cb -0.12 -3.04 1.03 0.00 0.00 0.00 0.00 23.12 20.99 1wki s ALA 36 CO 0.13 -1.59 1.67 1.28 0.00 0.00 0.00 175.76 177.25 1wki n LEU 37 N 5.57 0.18 -3.82 0.00 4.77 0.21 0.11 117.00 124.02 1wki n LEU 37 Ca -0.08 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 1wki n LEU 37 Cb 0.47 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1wki n LEU 37 CO 0.46 0.04 -0.08 -1.61 -1.33 0.00 0.00 177.39 174.86 1wki s GLU 38 N -1.98 0.54 0.05 3.23 2.02 -1.23 -4.53 118.70 116.80 1wki s GLU 38 Ca 0.27 -0.23 -0.31 0.00 0.02 0.00 0.00 54.97 54.73 1wki s GLU 38 Cb 0.13 0.23 -0.06 0.00 0.10 0.00 0.00 34.13 34.54 1wki s GLU 38 CO 0.21 -0.13 1.20 -1.25 0.02 0.00 0.00 175.26 175.31 1wki s PRO 39 N -1.20 4.42 0.27 0.39 0.04 -1.26 -4.33 135.00 133.34 1wki s PRO 39 Ca -0.13 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 1wki s PRO 39 Cb -0.06 -3.36 0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wki s PRO 39 CO 0.03 -0.27 0.80 0.00 0.04 0.00 0.00 177.00 177.59 1wki s ALA 40 N 1.14 -1.24 -0.25 8.56 0.00 -1.18 -4.95 121.76 123.84 1wki s ALA 40 Ca 0.59 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 1wki s ALA 40 Cb -0.29 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1wki s ALA 40 CO 0.29 -1.03 0.03 -1.58 0.00 0.00 0.00 175.76 173.46 1wki s TRP 41 N -3.40 3.05 -0.25 0.00 0.51 -1.26 -1.47 118.94 116.12 1wki s TRP 41 Ca 0.13 -0.75 -0.17 0.00 -2.12 0.00 0.00 56.10 53.19 1wki s TRP 41 Cb -0.05 -2.19 -0.03 0.00 -0.81 0.00 0.00 33.47 30.39 1wki s TRP 41 CO 0.07 -0.48 0.45 0.42 -0.51 0.00 0.00 176.95 176.90 1wki s ILE 42 N 1.53 5.12 0.83 2.03 -1.09 -1.10 -4.79 121.20 123.73 1wki s ILE 42 Ca 0.05 0.76 -0.12 0.00 -2.23 0.00 0.00 60.65 59.11 1wki s ILE 42 Cb -0.15 -3.77 0.09 0.00 -1.58 0.00 0.00 42.46 37.05 1wki s ILE 42 CO 0.01 0.14 1.17 0.42 -1.23 0.00 0.00 174.94 175.44 1wki s THR 43 N 2.04 2.05 0.19 2.92 -4.23 -1.26 -0.49 115.64 116.87 1wki s THR 43 Ca 0.19 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 1wki s THR 43 Cb -0.16 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1wki s THR 43 CO 0.09 -0.02 1.85 0.00 -0.54 0.00 0.00 174.62 176.00 1wki h ALA 44 N -1.15 0.82 -0.99 3.99 0.00 -1.98 -2.43 119.26 117.53 1wki h ALA 44 Ca -0.47 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1wki h ALA 44 Cb 1.33 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1wki h ALA 44 CO 0.65 0.19 0.65 1.96 0.00 0.00 0.00 179.25 182.70 1wki h GLN 45 N 0.82 1.23 -0.53 0.00 1.08 -1.93 -1.83 115.11 113.94 1wki h GLN 45 Ca 0.25 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1wki h GLN 45 Cb -0.04 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.09 1wki h GLN 45 CO -0.08 0.81 0.35 1.96 -0.95 0.00 0.00 178.83 180.93 1wki h GLN 46 N 1.27 0.59 0.01 1.46 1.08 -1.80 2.48 115.11 120.20 1wki h GLN 46 Ca 0.39 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1wki h GLN 46 Cb -0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1wki h GLN 46 CO -0.12 0.39 -0.01 0.82 -0.95 0.00 0.00 178.83 178.96 1wki h ILE 47 N 0.61 1.40 0.08 2.54 2.04 -1.25 -2.64 117.51 120.29 1wki h ILE 47 Ca 0.21 -1.29 -0.17 0.00 1.00 0.00 0.00 64.86 64.61 1wki h ILE 47 Cb 0.10 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1wki h ILE 47 CO -0.06 0.33 -0.85 -0.08 0.00 0.00 0.00 178.15 177.49 1wki h GLU 48 N -0.58 0.17 -0.36 2.37 4.81 -1.15 -3.04 114.58 116.79 1wki h GLU 48 Ca -0.00 -0.29 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1wki h GLU 48 Cb 0.56 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 1wki h GLU 48 CO 0.00 1.14 0.05 0.00 -0.73 0.00 0.00 179.01 179.47 1wki h ALA 49 N -0.06 0.37 -0.71 2.92 0.00 0.41 -0.31 119.26 121.89 1wki h ALA 49 Ca -0.18 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1wki h ALA 49 Cb 1.47 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1wki h ALA 49 CO 0.04 -0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.12 1wki h ALA 50 N 1.29 0.93 -0.72 0.00 0.00 -1.50 -2.79 119.26 116.46 1wki h ALA 50 Ca 0.17 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wki h ALA 50 Cb 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1wki h ALA 50 CO -0.25 0.63 0.47 -0.09 0.00 0.00 0.00 179.25 180.01 1wki h ARG 51 N 1.05 0.91 -0.33 0.00 2.43 -1.24 -1.55 114.38 115.65 1wki h ARG 51 Ca 0.22 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1wki h ARG 51 Cb 0.34 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1wki h ARG 51 CO -0.00 0.61 0.16 0.28 -1.51 0.00 0.00 179.97 179.50 1wki h VAL 52 N 0.94 0.97 -0.80 0.20 2.07 -0.83 0.34 116.25 119.14 1wki h VAL 52 Ca 0.28 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1wki h VAL 52 Cb -0.06 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1wki h VAL 52 CO -0.08 0.06 0.45 0.00 0.02 0.00 0.00 177.57 178.02 1wki h ALA 53 N 1.18 1.29 -0.04 1.67 0.00 -1.22 -1.60 119.26 120.53 1wki h ALA 53 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wki h ALA 53 Cb 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1wki h ALA 53 CO -0.10 0.59 -0.08 0.52 0.00 0.00 0.00 179.25 180.17 1wki h MET 54 N 1.11 0.13 -0.72 0.00 2.07 -0.68 -2.33 114.93 114.51 1wki h MET 54 Ca 0.28 -0.08 0.08 0.00 -2.07 0.00 0.00 59.70 57.91 1wki h MET 54 Cb 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.70 1wki h MET 54 CO -0.05 0.65 0.47 0.28 1.07 0.00 0.00 176.91 179.34 1wki h VAL 55 N -0.37 0.97 0.00 -2.22 2.07 -0.18 -0.67 116.25 115.84 1wki h VAL 55 Ca 0.00 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1wki h VAL 55 Cb 0.64 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1wki h VAL 55 CO 0.02 0.12 -0.72 0.03 0.02 0.00 0.00 177.57 177.04 1wki h ARG 56 N 0.67 0.00 0.44 1.57 3.08 -1.29 -3.31 114.38 115.55 1wki h ARG 56 Ca 0.32 0.00 -0.02 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 0.72 -0.21 1.25 -1.07 0.00 0.00 179.97 180.55 1wki h HIS 57 N 0.00 -0.55 -0.58 3.04 2.76 -0.55 -3.40 115.15 115.87 1wki h HIS 57 Ca -0.01 -0.01 -0.26 0.00 -2.20 0.00 0.00 60.37 57.89 1wki h HIS 57 Cb 1.31 0.18 -0.03 0.00 1.55 0.00 0.00 27.41 30.42 1wki h HIS 57 CO 0.00 -0.26 1.07 1.19 -1.30 0.00 0.00 177.93 178.62 1wki n PHE 58 N -5.28 0.94 -0.13 5.26 3.72 -1.03 -4.75 117.46 116.20 1wki n PHE 58 Ca -0.11 0.07 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1wki n PHE 58 Cb 0.29 -2.19 0.43 0.00 -0.94 0.00 0.00 39.48 37.07 1wki n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wki h ARG 59 N 14.20 0.55 -1.03 -1.08 3.08 -1.88 -0.62 114.38 127.60 1wki h ARG 59 Ca -0.06 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.44 1wki h ARG 59 Cb 1.14 -0.12 -0.28 0.00 0.08 0.00 0.00 29.97 30.79 1wki h ARG 59 CO 1.22 0.37 0.66 0.54 -1.07 0.00 0.00 179.97 181.68 1wki n ARG 60 N -4.48 2.26 -0.79 0.04 1.74 -1.26 -5.03 116.66 109.13 1wki n ARG 60 Ca 0.10 -2.80 0.10 0.00 -0.77 0.00 0.00 57.85 54.47 1wki n ARG 60 Cb 0.30 -2.10 -0.05 0.00 -1.02 0.00 0.00 32.46 29.59 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 61 N -0.90 -2.77 0.00 -0.13 0.00 -0.24 -5.03 105.19 96.12 1wki n GLY 61 Ca 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.36 0.45 3.10 -0.02 0.00 -1.26 -4.73 105.19 99.37 1wki n GLY 62 Ca -0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 0.68 -0.08 1.61 -2.85 -1.26 -4.94 119.74 110.91 1wki s LYS 63 Ca 0.00 -0.79 0.01 0.00 -1.00 0.00 0.00 55.97 54.20 1wki s LYS 63 Cb 0.00 -0.58 0.02 0.00 -2.06 0.00 0.00 37.83 35.21 1wki s LYS 63 CO 0.00 0.13 -0.10 0.42 0.10 0.00 0.00 175.35 175.90 1wki s ILE 64 N -1.17 1.02 -0.43 3.79 1.01 -1.26 -3.11 121.20 121.05 1wki s ILE 64 Ca -0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.07 1wki s ILE 64 Cb -0.09 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.42 1wki s ILE 64 CO 0.01 0.34 0.42 -0.36 0.00 0.00 0.00 174.94 175.36 1wki s PHE 65 N 1.07 3.18 -0.09 3.97 0.40 0.26 -4.93 117.98 121.85 1wki s PHE 65 Ca -0.07 -0.45 -0.16 0.00 -0.60 0.00 0.00 56.93 55.65 1wki s PHE 65 Cb -0.14 -2.90 -0.05 0.00 0.51 0.00 0.00 43.02 40.44 1wki s PHE 65 CO -0.01 -0.71 0.41 0.42 0.70 0.00 0.00 175.22 176.03 1wki s ILE 66 N 2.07 5.17 -0.10 0.64 -1.09 -1.26 -2.67 121.20 123.95 1wki s ILE 66 Ca 0.11 0.81 0.10 0.00 -2.23 0.00 0.00 60.65 59.43 1wki s ILE 66 Cb -0.18 -3.73 -0.14 0.00 -1.58 0.00 0.00 42.46 36.83 1wki s ILE 66 CO 0.13 0.43 0.05 -1.14 -1.23 0.00 0.00 174.94 173.18 1wki n ARG 67 N 3.02 2.07 -2.26 2.79 3.00 -1.18 -5.00 116.66 119.10 1wki n ARG 67 Ca -0.11 -0.01 -0.40 0.00 -0.00 0.00 0.00 57.85 57.33 1wki n ARG 67 Cb 0.52 -1.28 -0.03 0.00 0.00 0.00 0.00 32.46 31.67 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 -2.31 3.03 -0.07 5.15 -4.36 -1.26 -5.04 121.20 116.35 1wki s ILE 68 Ca -0.05 1.02 -0.04 0.00 -0.26 0.00 0.00 60.65 61.31 1wki s ILE 68 Cb 0.04 -3.64 0.03 0.00 1.25 0.00 0.00 42.46 40.14 1wki s ILE 68 CO 0.45 0.22 0.16 -0.36 0.24 0.00 0.00 174.94 175.66 1wki s PHE 69 N -1.19 -0.19 -0.41 1.37 0.40 -1.26 -5.07 117.98 111.64 1wki s PHE 69 Ca 0.49 0.50 -0.27 0.00 -0.60 0.00 0.00 56.93 57.05 1wki s PHE 69 Cb -0.36 -0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.11 1wki s PHE 69 CO 0.47 -0.15 2.17 -2.14 0.70 0.00 0.00 175.22 176.27 1wki s PRO 70 N 0.80 2.68 0.00 0.24 0.02 -1.26 -4.46 135.00 133.02 1wki s PRO 70 Ca -0.06 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.42 1wki s PRO 70 Cb -0.08 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 30.02 1wki s PRO 70 CO -0.04 -2.62 0.00 -0.25 -0.33 0.00 0.00 177.00 173.76 1wki n ASP 71 N 13.27 2.29 -4.77 2.53 9.92 -0.72 -4.74 116.55 134.33 1wki n ASP 71 Ca 0.30 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 54.17 1wki n ASP 71 Cb 0.50 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.96 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 -1.94 4.23 0.39 -1.24 3.01 -0.95 -4.86 119.74 118.38 1wki s LYS 72 Ca 0.00 1.85 -0.24 0.00 -1.01 0.00 0.00 55.97 56.57 1wki s LYS 72 Cb 0.00 -2.83 -0.09 0.00 -1.01 0.00 0.00 37.83 33.90 1wki s LYS 72 CO 0.00 -0.17 1.04 -1.25 0.51 0.00 0.00 175.35 175.48 1wki s PRO 73 N -2.06 4.20 -0.69 -1.68 0.04 -1.26 -1.73 135.00 131.82 1wki s PRO 73 Ca 0.53 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1wki s PRO 73 Cb -0.31 -2.54 0.17 0.00 0.04 0.00 0.00 34.50 31.85 1wki s PRO 73 CO 0.40 -0.10 0.50 -0.47 0.04 0.00 0.00 177.00 177.36 1wki s TYR 74 N -1.68 3.51 -0.28 0.56 6.14 -1.09 -4.82 117.35 119.69 1wki s TYR 74 Ca 0.57 -3.01 0.03 0.00 0.64 0.00 0.00 57.07 55.30 1wki s TYR 74 Cb -0.21 -3.04 0.07 0.00 0.42 0.00 0.00 41.96 39.20 1wki s TYR 74 CO 0.26 -0.74 -0.06 0.95 0.64 0.00 0.00 175.55 176.61 1wki s THR 75 N -0.69 2.29 -0.59 4.34 -4.23 -1.26 -1.69 115.64 113.81 1wki s THR 75 Ca 0.21 -1.78 -0.27 0.00 -1.18 0.00 0.00 61.69 58.68 1wki s THR 75 Cb -0.15 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1wki s THR 75 CO -0.07 -0.17 1.89 -0.54 -0.54 0.00 0.00 174.62 175.18 1wki s LYS 76 N 1.07 2.64 -0.63 3.99 1.02 -1.26 -4.93 119.74 121.64 1wki s LYS 76 Ca -0.04 0.71 -0.10 0.00 0.02 0.00 0.00 55.97 56.56 1wki s LYS 76 Cb -0.20 -4.39 0.16 0.00 -0.52 0.00 0.00 37.83 32.89 1wki s LYS 76 CO -0.05 -2.71 0.52 0.15 -0.92 0.00 0.00 175.35 172.34 1wki s LYS 77 N 7.02 2.91 0.00 1.68 3.01 -1.26 -5.07 119.74 128.03 1wki s LYS 77 Ca 0.70 -2.19 0.00 0.00 -1.01 0.00 0.00 55.97 53.47 1wki s LYS 77 Cb -0.13 -4.07 0.00 0.00 -1.01 0.00 0.00 37.83 32.61 1wki s LYS 77 CO 0.22 -1.23 0.00 -0.35 0.51 0.00 0.00 175.35 174.50 1wki n PRO 78 N 4.26 -0.10 -1.79 -1.68 -0.04 -1.26 -4.89 135.00 129.51 1wki n PRO 78 Ca 0.03 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 1wki n PRO 78 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 1wki n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wki s LEU 79 N 0.00 3.41 -0.07 1.53 1.02 -1.26 -4.93 118.68 118.37 1wki s LEU 79 Ca 0.00 1.10 -0.01 0.00 0.02 0.00 0.00 54.13 55.24 1wki s LEU 79 Cb 0.00 -2.95 0.03 0.00 0.02 0.00 0.00 46.19 43.29 1wki s LEU 79 CO 0.00 -2.30 -0.01 -1.83 0.02 0.00 0.00 176.35 172.23 1wki s GLU 80 N 6.97 0.72 -0.13 1.70 -1.05 -1.26 -5.13 118.70 120.52 1wki s GLU 80 Ca 0.86 0.05 -0.01 0.00 -0.15 0.00 0.00 54.97 55.73 1wki s GLU 80 Cb -0.20 -1.02 -0.02 0.00 -0.44 0.00 0.00 34.13 32.45 1wki s GLU 80 CO 0.28 -0.28 -0.11 0.14 0.95 0.00 0.00 175.26 176.24 1wki s VAL 81 N 1.85 3.23 -0.76 1.83 -7.23 -1.26 -4.75 120.40 113.31 1wki s VAL 81 Ca 0.04 -0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1wki s VAL 81 Cb -0.12 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 1wki s VAL 81 CO -0.05 0.52 0.71 -1.14 -0.31 0.00 0.00 175.10 174.82 1wki n ARG 82 N 3.50 -1.40 -3.15 4.82 3.00 -1.26 -5.03 116.66 117.14 1wki n ARG 82 Ca -0.18 1.39 0.06 0.00 -0.00 0.00 0.00 57.85 59.12 1wki n ARG 82 Cb 0.53 -5.64 -0.00 0.00 0.00 0.00 0.00 32.46 27.34 1wki n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wki s MET 83 N -3.18 0.03 -0.32 -0.14 0.23 -1.26 -5.07 119.30 109.60 1wki s MET 83 Ca 0.06 0.04 0.16 0.00 -1.03 0.00 0.00 55.69 54.92 1wki s MET 83 Cb -0.01 0.02 0.44 0.00 -1.53 0.00 0.00 34.83 33.76 1wki s MET 83 CO 0.73 -0.06 1.34 0.41 -2.03 0.00 0.00 175.02 175.40 1wki n GLY 84 N 5.12 1.84 1.69 3.16 0.00 -1.26 -4.91 105.19 110.83 1wki n GLY 84 Ca 0.07 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.02 4.22 0.00 1.61 4.76 -1.26 -5.00 118.16 121.47 1wki n LYS 85 Ca -0.06 -2.81 0.00 0.00 -2.87 0.00 0.00 58.31 52.56 1wki n LYS 85 Cb 0.85 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 0.77 -0.66 0.00 0.72 0.00 -1.26 -5.05 105.19 99.70 1wki n GLY 86 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wki n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wki n LYS 87 N 0.00 0.00 0.00 1.61 2.85 -1.26 -5.13 118.16 116.23 1wki n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1wki n LYS 87 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wki n GLY 88 N -0.59 0.85 3.37 2.58 0.00 -1.26 -4.95 105.19 105.19 1wki n GLY 88 Ca 0.00 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 3.81 0.36 1.61 3.84 -1.26 -5.12 114.94 114.18 1wki s ASN 89 Ca 0.00 -0.34 -0.17 0.00 0.21 0.00 0.00 52.86 52.56 1wki s ASN 89 Cb 0.00 -1.32 -0.10 0.00 -0.55 0.00 0.00 41.25 39.29 1wki s ASN 89 CO 0.00 0.22 0.81 0.54 -2.79 0.00 0.00 177.10 175.88 1wki s VAL 90 N 0.03 4.58 -0.52 -5.21 0.11 -1.26 -4.95 120.40 113.17 1wki s VAL 90 Ca -0.06 1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 60.11 1wki s VAL 90 Cb -0.15 -3.61 0.15 0.00 -1.53 0.00 0.00 36.38 31.24 1wki s VAL 90 CO 0.05 -0.22 2.53 -0.62 -3.33 0.00 0.00 175.10 173.50 1wki n GLU 91 N -0.44 2.41 0.00 1.54 -0.58 -0.68 -5.00 120.64 117.88 1wki n GLU 91 Ca 0.05 -2.51 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 1wki n GLU 91 Cb 0.53 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 0.49 -1.24 3.62 0.62 0.00 -1.26 -4.74 105.19 102.68 1wki n GLY 92 Ca 0.48 -1.12 -0.26 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 0.00 2.74 0.32 1.61 1.51 -1.26 -2.66 117.35 119.61 1wki s TYR 93 Ca 0.00 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1wki s TYR 93 Cb 0.00 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1wki s TYR 93 CO 0.00 0.52 0.15 0.14 -1.11 0.00 0.00 175.55 175.25 1wki s VAL 94 N -1.75 0.41 -0.31 0.71 -7.23 -0.70 -3.69 120.40 107.83 1wki s VAL 94 Ca 0.26 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 1wki s VAL 94 Cb -0.09 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.43 1wki s VAL 94 CO 0.17 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.99 1wki s ALA 95 N -3.55 2.48 0.23 1.32 0.00 0.36 -1.76 121.76 120.84 1wki s ALA 95 Ca 0.34 -2.13 -0.32 0.00 0.00 0.00 0.00 51.96 49.86 1wki s ALA 95 Cb 0.05 -1.79 -0.13 0.00 0.00 0.00 0.00 23.12 21.25 1wki s ALA 95 CO 0.17 -1.57 1.60 0.28 0.00 0.00 0.00 175.76 176.25 1wki n VAL 96 N 4.44 0.47 -4.34 0.00 0.31 -1.26 -2.72 118.33 115.23 1wki n VAL 96 Ca -0.01 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.01 1wki n VAL 96 Cb 0.42 -1.80 -0.10 0.00 -0.91 0.00 0.00 33.84 31.45 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 0.55 1.73 0.07 2.52 1.01 -0.54 -4.99 120.40 120.75 1wki s VAL 97 Ca 0.71 -2.16 0.05 0.00 0.00 0.00 0.00 61.98 60.58 1wki s VAL 97 Cb -0.56 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1wki s VAL 97 CO 0.41 -0.56 -0.14 -0.54 0.00 0.00 0.00 175.10 174.27 1wki s LYS 98 N -3.52 0.82 -0.38 2.72 1.02 -1.26 -3.11 119.74 116.03 1wki s LYS 98 Ca 0.21 -0.96 -0.41 0.00 0.02 0.00 0.00 55.97 54.83 1wki s LYS 98 Cb -0.01 -0.83 -0.16 0.00 -0.52 0.00 0.00 37.83 36.30 1wki s LYS 98 CO 0.07 0.18 1.87 -0.35 -0.92 0.00 0.00 175.35 176.20 1wki n PRO 99 N 1.27 0.70 -0.32 -1.68 -0.04 -1.21 -1.88 135.00 131.83 1wki n PRO 99 Ca -0.21 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1wki n PRO 99 Cb 0.54 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wki n GLY 100 N 5.20 1.44 3.24 0.55 0.00 0.30 -4.92 105.19 111.00 1wki n GLY 100 Ca 0.35 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.14 3.23 -0.74 1.61 6.06 -0.79 -3.95 118.95 123.24 1wki s ARG 101 Ca 0.00 -0.70 -0.25 0.00 -2.50 0.00 0.00 55.73 52.27 1wki s ARG 101 Cb 0.00 -2.85 0.04 0.00 0.06 0.00 0.00 34.95 32.20 1wki s ARG 101 CO 0.00 -0.20 1.20 0.08 -2.50 0.00 0.00 175.30 173.88 1wki s VAL 102 N 1.41 3.91 -0.04 7.11 1.01 -1.26 -0.42 120.40 132.12 1wki s VAL 102 Ca 0.05 0.11 0.13 0.00 0.00 0.00 0.00 61.98 62.27 1wki s VAL 102 Cb -0.14 -4.86 -0.20 0.00 0.00 0.00 0.00 36.38 31.18 1wki s VAL 102 CO -0.07 -1.75 0.80 0.00 0.00 0.00 0.00 175.10 174.08 1wki h MET 103 N 9.87 0.00 -6.13 2.72 -0.00 -1.27 -3.44 114.93 116.69 1wki h MET 103 Ca -0.25 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 58.90 1wki h MET 103 Cb 1.05 0.00 -0.19 0.00 -0.00 0.00 0.00 31.60 32.46 1wki h MET 103 CO 1.26 0.51 -0.80 -0.06 -0.00 0.00 0.00 176.91 177.82 1wki s PHE 104 N -2.69 1.90 -0.22 -0.10 0.40 -1.17 -3.11 117.98 112.99 1wki s PHE 104 Ca -0.03 -0.44 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1wki s PHE 104 Cb 0.08 -0.97 0.08 0.00 0.51 0.00 0.00 43.02 42.72 1wki s PHE 104 CO 0.82 0.32 0.51 -1.21 0.70 0.00 0.00 175.22 176.36 1wki s GLU 105 N -2.51 0.47 0.22 0.44 8.01 -1.09 0.11 118.70 124.35 1wki s GLU 105 Ca 0.14 1.04 0.10 0.00 0.01 0.00 0.00 54.97 56.26 1wki s GLU 105 Cb -0.07 0.22 -0.04 0.00 -4.31 0.00 0.00 34.13 29.92 1wki s GLU 105 CO 0.06 -0.19 -0.11 0.14 0.01 0.00 0.00 175.26 175.18 1wki s VAL 106 N 1.96 3.04 -0.15 2.63 -7.23 -1.04 0.92 120.40 120.52 1wki s VAL 106 Ca -0.07 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.04 1wki s VAL 106 Cb -0.09 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1wki s VAL 106 CO -0.15 -0.24 0.43 0.00 -0.31 0.00 0.00 175.10 174.84 1wki s ALA 107 N -2.01 -1.08 0.00 1.32 0.00 -1.18 0.03 121.76 118.84 1wki s ALA 107 Ca 0.27 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1wki s ALA 107 Cb -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1wki s ALA 107 CO 0.16 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1wki n GLY 108 N 2.67 3.14 3.88 0.00 0.00 -1.26 -4.10 105.19 109.52 1wki n GLY 108 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.64 4.81 0.92 1.61 -7.23 -1.26 -5.03 120.40 111.57 1wki s VAL 109 Ca 0.00 0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 60.63 1wki s VAL 109 Cb 0.00 -3.72 0.14 0.00 0.56 0.00 0.00 36.38 33.37 1wki s VAL 109 CO 0.00 -0.45 1.09 0.42 -0.31 0.00 0.00 175.10 175.86 1wki s THR 110 N -2.28 2.56 0.29 5.32 -4.23 -1.26 -4.64 115.64 111.41 1wki s THR 110 Ca 0.50 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1wki s THR 110 Cb -0.10 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.47 1wki s THR 110 CO 0.29 -0.24 1.96 -0.08 -0.54 0.00 0.00 174.62 176.02 1wki h GLU 111 N -1.69 1.12 -0.25 3.99 4.81 -1.97 0.84 114.58 121.42 1wki h GLU 111 Ca -0.49 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 1wki h GLU 111 Cb 1.28 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1wki h GLU 111 CO 0.51 0.74 0.03 0.93 -0.73 0.00 0.00 179.01 180.50 1wki h GLU 112 N 1.15 0.43 -0.03 1.92 4.39 -1.98 0.50 114.58 120.96 1wki h GLU 112 Ca 0.31 -0.12 -0.22 0.00 0.34 0.00 0.00 59.36 59.67 1wki h GLU 112 Cb -0.13 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1wki h GLU 112 CO -0.07 0.56 -0.90 1.96 -1.16 0.00 0.00 179.01 179.40 1wki h GLN 113 N 0.23 0.47 -0.05 2.33 4.20 -1.83 -2.32 115.11 118.14 1wki h GLN 113 Ca 0.08 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 1wki h GLN 113 Cb 0.35 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wki h GLN 113 CO 0.01 1.12 -0.11 0.00 -0.67 0.00 0.00 178.83 179.18 1wki h ALA 114 N 0.72 0.08 -0.44 3.87 0.00 0.75 -0.41 119.26 123.84 1wki h ALA 114 Ca -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1wki h ALA 114 Cb 1.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 114 CO 0.16 -0.05 0.21 0.52 0.00 0.00 0.00 179.25 180.10 1wki h MET 115 N -0.36 0.63 -0.09 0.00 2.86 -0.08 0.12 114.93 118.01 1wki h MET 115 Ca 0.00 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1wki h MET 115 Cb 0.70 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1wki h MET 115 CO 0.02 0.54 0.00 1.49 1.06 0.00 0.00 176.91 180.02 1wki h GLU 116 N 0.57 0.16 -0.23 1.72 4.81 -1.48 -1.62 114.58 118.51 1wki h GLU 116 Ca 0.15 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1wki h GLU 116 Cb 0.11 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1wki h GLU 116 CO -0.02 0.41 0.05 0.00 -0.73 0.00 0.00 179.01 178.72 1wki h ALA 117 N 0.75 0.24 -0.04 2.92 0.00 -0.96 0.20 119.26 122.37 1wki h ALA 117 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wki h ALA 117 Cb 0.33 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wki h ALA 117 CO 0.00 -0.37 -0.03 -0.07 0.00 0.00 0.00 179.25 178.78 1wki h LEU 118 N 0.14 0.05 -0.07 0.00 4.07 -0.95 -2.16 115.31 116.39 1wki h LEU 118 Ca 0.10 -0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.87 1wki h LEU 118 Cb 0.10 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.84 1wki h LEU 118 CO -0.14 0.09 -0.69 0.03 -1.08 0.00 0.00 178.44 176.65 1wki h ARG 119 N 0.05 0.59 -0.86 1.13 3.08 -0.18 -3.16 114.38 115.02 1wki h ARG 119 Ca 0.01 -0.54 0.10 0.00 0.07 0.00 0.00 59.98 59.63 1wki h ARG 119 Cb 0.09 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1wki h ARG 119 CO 0.00 1.16 0.56 0.82 -1.07 0.00 0.00 179.97 181.44 1wki h ILE 120 N 0.20 0.94 -0.33 2.04 2.04 -0.02 0.31 117.51 122.69 1wki h ILE 120 Ca -0.07 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1wki h ILE 120 Cb 1.35 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1wki h ILE 120 CO 0.14 0.15 0.14 0.00 0.00 0.00 0.00 178.15 178.58 1wki h ALA 121 N 1.58 0.43 0.00 1.87 0.00 -1.48 -2.67 119.26 118.98 1wki h ALA 121 Ca 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1wki h ALA 121 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wki h ALA 121 CO -0.17 0.01 -0.07 0.78 0.00 0.00 0.00 179.25 179.80 1wki h GLY 122 N 0.39 0.00 1.12 0.00 0.00 -1.24 -3.20 103.07 100.14 1wki h GLY 122 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.51 1wki h GLY 122 CO -0.01 0.00 0.43 0.45 0.00 0.00 0.00 176.54 177.41 1wki h HIS 123 N 0.00 0.66 -0.24 5.60 -0.00 -0.07 0.24 115.15 121.34 1wki h HIS 123 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1wki h HIS 123 Cb 0.86 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1wki h HIS 123 CO 0.00 0.35 0.00 0.36 -0.00 0.00 0.00 177.93 178.64 1wki n LYS 124 N -4.48 2.17 -2.58 2.45 0.00 -1.21 -4.94 118.16 109.56 1wki n LYS 124 Ca 0.09 -1.75 -0.30 0.00 -0.00 0.00 0.00 58.31 56.36 1wki n LYS 124 Cb 0.23 -1.46 -0.02 0.00 -0.00 0.00 0.00 35.03 33.78 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 -1.62 3.66 -0.08 -5.58 1.43 0.07 -4.97 118.68 111.59 1wki s LEU 125 Ca 0.35 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.71 1wki s LEU 125 Cb 0.20 -4.13 0.30 0.00 0.03 0.00 0.00 46.19 42.59 1wki s LEU 125 CO 0.30 -0.54 0.99 -0.81 0.23 0.00 0.00 176.35 176.52 1wki n PRO 126 N -1.78 2.39 -3.94 1.29 -0.04 -1.26 -4.88 135.00 126.78 1wki n PRO 126 Ca 0.03 -1.16 -0.09 0.00 -0.04 0.00 0.00 63.50 62.23 1wki n PRO 126 Cb 0.54 -1.74 -0.06 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 -1.66 0.03 0.22 0.52 -5.25 -1.26 -4.96 121.20 108.84 1wki s ILE 127 Ca 0.20 -1.30 -0.30 0.00 -0.99 0.00 0.00 60.65 58.26 1wki s ILE 127 Cb 0.15 -1.96 -0.08 0.00 2.95 0.00 0.00 42.46 43.52 1wki s ILE 127 CO 0.07 -0.14 0.99 -0.75 -1.79 0.00 0.00 174.94 173.32 1wki s LYS 128 N -3.98 4.77 0.02 0.37 2.47 -1.26 -4.92 119.74 117.21 1wki s LYS 128 Ca 0.19 1.56 -0.06 0.00 -1.56 0.00 0.00 55.97 56.09 1wki s LYS 128 Cb 0.01 -3.28 -0.01 0.00 -1.46 0.00 0.00 37.83 33.09 1wki s LYS 128 CO 0.03 0.37 0.10 0.95 0.16 0.00 0.00 175.35 176.96 1wki s THR 129 N -0.86 0.10 0.08 3.43 -4.23 -1.26 0.66 115.64 113.57 1wki s THR 129 Ca 0.44 -0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1wki s THR 129 Cb -0.27 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1wki s THR 129 CO 0.33 -0.47 -0.02 -1.59 -0.54 0.00 0.00 174.62 172.33 1wki s LYS 130 N -1.81 0.73 0.17 3.99 -2.85 -0.94 -4.96 119.74 114.07 1wki s LYS 130 Ca -0.12 -1.30 -0.24 0.00 -1.00 0.00 0.00 55.97 53.32 1wki s LYS 130 Cb -0.06 0.12 -0.08 0.00 -2.06 0.00 0.00 37.83 35.75 1wki s LYS 130 CO -0.01 -0.12 0.75 0.42 0.10 0.00 0.00 175.35 176.49 1wki s ILE 131 N -3.88 4.44 -0.11 3.79 -1.09 -1.26 -2.04 121.20 121.06 1wki s ILE 131 Ca 0.12 1.57 -0.10 0.00 -2.23 0.00 0.00 60.65 60.01 1wki s ILE 131 Cb 0.07 -4.06 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1wki s ILE 131 CO -0.06 0.46 0.29 0.68 -1.23 0.00 0.00 174.94 175.08 1wki s VAL 132 N -1.22 -0.00 0.72 2.92 -7.23 -0.35 -4.97 120.40 110.25 1wki s VAL 132 Ca 0.37 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.44 1wki s VAL 132 Cb -0.21 -0.42 0.03 0.00 0.56 0.00 0.00 36.38 36.34 1wki s VAL 132 CO 0.24 0.00 1.09 -0.60 -0.31 0.00 0.00 175.10 175.53 1wki s ARG 133 N 0.24 2.67 -0.86 4.82 3.52 -1.25 0.12 118.95 128.20 1wki s ARG 133 Ca -0.01 0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.80 1wki s ARG 133 Cb -0.03 -2.03 -0.26 0.00 -1.56 0.00 0.00 34.95 31.07 1wki s ARG 133 CO -0.00 -1.12 2.09 0.54 -0.81 0.00 0.00 175.30 176.00 1wki n ARG 134 N -3.03 0.12 -3.05 5.12 1.74 0.13 0.92 116.66 118.61 1wki n ARG 134 Ca 0.07 -0.22 -0.13 0.00 -0.77 0.00 0.00 57.85 56.80 1wki n ARG 134 Cb 0.58 -1.64 0.05 0.00 -1.02 0.00 0.00 32.46 30.43 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 8.54 -3.78 -4.07 0.55 2.03 -1.26 -5.00 116.55 113.56 1wki n ASP 135 Ca 0.56 -0.33 -0.35 0.00 0.52 0.00 0.00 54.79 55.20 1wki n ASP 135 Cb 0.24 -3.18 -0.12 0.00 -0.72 0.00 0.00 41.12 37.34 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 -3.20 3.32 -0.25 -1.67 0.00 0.26 -5.05 121.76 115.18 1wki s ALA 136 Ca 0.24 -2.95 0.01 0.00 0.00 0.00 0.00 51.96 49.26 1wki s ALA 136 Cb -0.10 -2.42 0.07 0.00 0.00 0.00 0.00 23.12 20.66 1wki s ALA 136 CO 0.43 -1.94 -0.02 0.71 0.00 0.00 0.00 175.76 174.93 1wki s TYR 137 N 0.40 2.31 -0.14 0.00 1.51 -1.26 -3.78 117.35 116.40 1wki s TYR 137 Ca 0.13 -1.77 0.00 0.00 -1.01 0.00 0.00 57.07 54.43 1wki s TYR 137 Cb -0.22 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1wki s TYR 137 CO -0.04 -0.78 -0.15 0.34 -1.11 0.00 0.00 175.55 173.81 1wki s ASP 138 N 1.42 3.77 -0.16 2.29 -1.08 -1.26 -5.07 116.67 116.58 1wki s ASP 138 Ca -0.03 -0.41 -0.29 0.00 -0.52 0.00 0.00 52.55 51.30 1wki s ASP 138 Cb -0.19 -1.57 -0.05 0.00 -1.46 0.00 0.00 42.92 39.65 1wki s ASP 138 CO -0.08 0.13 1.94 -1.61 0.52 0.00 0.00 175.17 176.07 1wki s GLU 139 N 0.57 3.61 -0.55 4.34 0.41 -1.26 -4.87 118.70 120.95 1wki s GLU 139 Ca -0.09 2.03 -0.26 0.00 -0.41 0.00 0.00 54.97 56.24 1wki s GLU 139 Cb -0.16 -4.20 -0.08 0.00 -1.78 0.00 0.00 34.13 27.91 1wki s GLU 139 CO 0.04 -1.54 2.39 0.00 -0.49 0.00 0.00 175.26 175.66 1wki s ALA 140 N 6.26 1.46 0.00 5.21 0.00 -1.26 -5.37 121.76 128.06 1wki s ALA 140 Ca 0.87 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1wki s ALA 140 Cb -0.32 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.40 1wki s ALA 140 CO 0.35 -4.74 0.00 0.94 0.00 0.00 0.00 175.76 172.31