#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckl n GLU 2 N 0.00 3.13 -2.38 0.00 1.02 -1.26 0.76 120.64 121.91 1ckl n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1ckl n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1ckl n GLU 2 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ckl s GLU 3 N 0.96 4.45 0.77 3.49 8.01 -1.26 -4.53 118.70 130.60 1ckl s GLU 3 Ca 0.00 1.85 -0.14 0.00 0.01 0.00 0.00 54.97 56.69 1ckl s GLU 3 Cb 0.00 -3.28 0.06 0.00 -4.31 0.00 0.00 34.13 26.60 1ckl s GLU 3 CO 0.00 -0.19 1.20 -1.25 0.01 0.00 0.00 175.26 175.04 1ckl s PRO 4 N 0.41 1.85 1.09 0.39 0.04 -1.26 -4.98 135.00 132.55 1ckl s PRO 4 Ca 0.56 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1ckl s PRO 4 Cb -0.32 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.49 1ckl s PRO 4 CO 0.33 -2.05 -0.07 -2.30 0.04 0.00 0.00 177.00 172.95 1ckl n PRO 5 N -3.07 -1.32 -5.09 0.56 -0.02 -1.26 -5.03 135.00 119.76 1ckl n PRO 5 Ca 0.13 -0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 60.94 1ckl n PRO 5 Cb 0.50 -1.66 -0.15 0.00 -0.02 0.00 0.00 33.50 32.17 1ckl n PRO 5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ckl s THR 6 N -2.23 2.12 0.24 3.45 -4.23 -1.26 -4.90 115.64 108.82 1ckl s THR 6 Ca 0.54 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 1ckl s THR 6 Cb -0.11 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 1ckl s THR 6 CO 0.66 0.47 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.78 1ckl s PHE 7 N -0.72 1.72 0.10 3.99 0.08 -1.24 -5.04 117.98 116.88 1ckl s PHE 7 Ca 0.11 -0.73 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 1ckl s PHE 7 Cb -0.10 -0.94 -0.23 0.00 -0.57 0.00 0.00 43.02 41.19 1ckl s PHE 7 CO 0.01 0.20 1.21 1.49 -0.10 0.00 0.00 175.22 178.02 1ckl h GLU 8 N 2.45 0.20 0.00 0.44 4.81 -2.01 -3.37 114.58 117.10 1ckl h GLU 8 Ca -0.39 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 58.38 1ckl h GLU 8 Cb 1.22 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1ckl h GLU 8 CO 0.65 1.13 -2.08 0.00 -0.73 0.00 0.00 179.01 177.97 1ckl n ALA 9 N -2.48 2.22 -2.65 2.92 0.00 -1.26 -4.89 120.51 114.37 1ckl n ALA 9 Ca -0.06 -0.81 -0.32 0.00 0.00 0.00 0.00 53.44 52.25 1ckl n ALA 9 Cb 0.97 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1ckl n ALA 9 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ckl s MET 10 N -2.99 2.69 -0.08 0.00 -1.94 -1.26 -0.09 119.30 115.63 1ckl s MET 10 Ca -0.08 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.29 1ckl s MET 10 Cb 0.10 -2.60 -0.00 0.00 2.01 0.00 0.00 34.83 34.33 1ckl s MET 10 CO 0.81 0.61 -0.23 -1.21 -0.01 0.00 0.00 175.02 175.00 1ckl s GLU 11 N -1.50 2.64 0.65 2.03 2.02 0.94 -3.68 118.70 121.80 1ckl s GLU 11 Ca 0.18 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 54.17 1ckl s GLU 11 Cb -0.11 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 1ckl s GLU 11 CO 0.09 0.25 1.27 -1.17 0.02 0.00 0.00 175.26 175.72 1ckl s LEU 12 N 0.14 3.55 -0.09 1.80 2.96 -1.26 -0.26 118.68 125.52 1ckl s LEU 12 Ca -0.11 2.56 -0.10 0.00 -0.22 0.00 0.00 54.13 56.25 1ckl s LEU 12 Cb -0.16 -4.61 -0.05 0.00 0.50 0.00 0.00 46.19 41.88 1ckl s LEU 12 CO 0.06 -1.99 0.23 -0.63 -1.32 0.00 0.00 176.35 172.70 1ckl s ILE 13 N -1.51 5.34 0.09 6.68 1.01 0.07 -4.73 121.20 128.15 1ckl s ILE 13 Ca 0.81 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1ckl s ILE 13 Cb -0.35 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1ckl s ILE 13 CO 0.40 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.52 1ckl n GLY 14 N 2.17 -2.64 3.78 6.18 0.00 -1.26 -4.74 105.19 108.68 1ckl n GLY 14 Ca -0.17 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 1ckl n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckl s LYS 15 N -3.06 4.51 0.26 1.61 1.02 -1.26 -5.02 119.74 117.81 1ckl s LYS 15 Ca 0.00 1.11 -0.31 0.00 0.02 0.00 0.00 55.97 56.80 1ckl s LYS 15 Cb 0.00 -3.18 -0.13 0.00 -0.52 0.00 0.00 37.83 34.00 1ckl s LYS 15 CO 0.00 0.53 1.35 -2.30 -0.92 0.00 0.00 175.35 174.01 1ckl n PRO 16 N 1.40 1.96 -3.89 -1.68 -0.02 -1.26 -5.03 135.00 126.48 1ckl n PRO 16 Ca -0.05 0.70 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 1ckl n PRO 16 Cb 0.49 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1ckl n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ckl s LYS 17 N -0.74 3.21 0.07 -0.52 1.02 -1.26 -5.04 119.74 116.49 1ckl s LYS 17 Ca 0.66 -0.91 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 1ckl s LYS 17 Cb -0.65 -2.77 -0.30 0.00 -0.52 0.00 0.00 37.83 33.59 1ckl s LYS 17 CO 0.53 0.33 1.12 -1.00 -0.92 0.00 0.00 175.35 175.40 1ckl h PRO 18 N 1.19 0.31 -4.48 -1.68 0.13 -1.92 -3.37 132.00 122.18 1ckl h PRO 18 Ca -0.49 -0.54 -0.36 0.00 -0.87 0.00 0.00 66.00 63.74 1ckl h PRO 18 Cb 1.24 0.20 -0.29 0.00 0.13 0.00 0.00 31.00 32.28 1ckl h PRO 18 CO 0.59 1.26 -0.77 -0.47 -0.23 0.00 0.00 178.00 178.38 1ckl s TYR 19 N -2.65 0.64 -0.03 1.56 5.04 -1.26 -4.23 117.35 116.42 1ckl s TYR 19 Ca -0.05 -0.12 0.05 0.00 -2.44 0.00 0.00 57.07 54.51 1ckl s TYR 19 Cb 0.07 -0.42 -0.01 0.00 0.35 0.00 0.00 41.96 41.95 1ckl s TYR 19 CO 0.89 -0.02 -0.19 0.71 -1.34 0.00 0.00 175.55 175.60 1ckl s TYR 20 N -0.10 1.77 0.77 4.97 2.02 0.23 -4.88 117.35 122.12 1ckl s TYR 20 Ca 0.02 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 1ckl s TYR 20 Cb -0.03 -1.16 0.06 0.00 -0.40 0.00 0.00 41.96 40.43 1ckl s TYR 20 CO -0.00 -0.09 1.08 -1.21 -1.57 0.00 0.00 175.55 173.76 1ckl s GLU 21 N -0.26 2.27 0.10 -0.62 2.02 -1.26 0.36 118.70 121.31 1ckl s GLU 21 Ca 0.03 0.99 -0.31 0.00 0.02 0.00 0.00 54.97 55.71 1ckl s GLU 21 Cb -0.09 -1.91 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 1ckl s GLU 21 CO 0.01 -1.58 1.23 0.42 0.02 0.00 0.00 175.26 175.35 1ckl s ILE 22 N -2.98 3.80 0.00 -1.63 1.01 -1.26 -2.45 121.20 117.69 1ckl s ILE 22 Ca 0.61 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.60 1ckl s ILE 22 Cb -0.16 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1ckl s ILE 22 CO 0.56 0.13 0.00 0.61 0.00 0.00 0.00 174.94 176.24 1ckl n GLY 23 N 2.99 0.65 3.75 6.18 0.00 0.41 -4.98 105.19 114.19 1ckl n GLY 23 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1ckl n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckl s GLU 24 N -0.71 4.85 -0.11 1.61 2.02 -1.03 -4.83 118.70 120.50 1ckl s GLU 24 Ca 0.00 1.49 0.02 0.00 0.02 0.00 0.00 54.97 56.51 1ckl s GLU 24 Cb 0.00 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1ckl s GLU 24 CO 0.00 0.50 -0.19 0.50 0.02 0.00 0.00 175.26 176.09 1ckl s ARG 25 N -1.14 3.19 -0.01 1.61 3.52 -1.26 -2.00 118.95 122.86 1ckl s ARG 25 Ca 0.41 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1ckl s ARG 25 Cb -0.26 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1ckl s ARG 25 CO 0.32 0.20 -0.07 0.14 -0.81 0.00 0.00 175.30 175.08 1ckl s VAL 26 N 0.34 3.62 0.04 7.11 -7.23 -0.50 -4.97 120.40 118.81 1ckl s VAL 26 Ca -0.15 -0.74 0.09 0.00 -1.81 0.00 0.00 61.98 59.37 1ckl s VAL 26 Cb -0.17 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1ckl s VAL 26 CO 0.08 0.43 -0.25 -1.81 -0.31 0.00 0.00 175.10 173.23 1ckl s ASP 27 N -1.31 2.99 0.44 4.85 1.11 -1.26 -1.32 116.67 122.18 1ckl s ASP 27 Ca 0.16 -0.57 0.06 0.00 0.18 0.00 0.00 52.55 52.38 1ckl s ASP 27 Cb -0.11 -0.27 -0.04 0.00 1.07 0.00 0.00 42.92 43.57 1ckl s ASP 27 CO 0.06 0.24 0.16 -0.31 1.18 0.00 0.00 175.17 176.50 1ckl s TYR 28 N -0.80 2.36 0.06 4.23 1.51 -0.91 -0.75 117.35 123.04 1ckl s TYR 28 Ca 0.11 -0.69 0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1ckl s TYR 28 Cb -0.10 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1ckl s TYR 28 CO 0.02 0.15 -0.05 -1.59 -1.11 0.00 0.00 175.55 172.97 1ckl s LYS 29 N -3.92 0.62 0.04 -0.62 -2.85 0.65 -4.81 119.74 108.85 1ckl s LYS 29 Ca 0.34 -1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 1ckl s LYS 29 Cb 0.04 -0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 35.73 1ckl s LYS 29 CO 0.19 -0.04 1.21 0.00 0.10 0.00 0.00 175.35 176.81 1ckl n LYS 31 N 4.26 0.54 -0.27 0.00 5.02 0.87 -4.79 118.16 123.79 1ckl n LYS 31 Ca 0.10 0.23 0.25 0.00 -2.02 0.00 0.00 58.31 56.87 1ckl n LYS 31 Cb 0.46 -2.08 0.47 0.00 -0.02 0.00 0.00 35.03 33.86 1ckl n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ckl n LYS 32 N -1.30 -0.05 -0.46 1.97 5.02 -1.26 -0.41 118.16 121.67 1ckl n LYS 32 Ca 0.12 1.15 0.04 0.00 -2.02 0.00 0.00 58.31 57.60 1ckl n LYS 32 Cb 0.49 -2.04 0.22 0.00 -0.02 0.00 0.00 35.03 33.67 1ckl n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ckl n GLY 33 N -1.23 2.13 3.34 0.72 0.00 -1.26 -4.92 105.19 103.96 1ckl n GLY 33 Ca 0.31 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1ckl n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 34 N -1.90 2.36 -0.08 1.61 1.51 0.45 -4.54 117.35 116.76 1ckl s TYR 34 Ca 0.29 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 1ckl s TYR 34 Cb 0.22 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1ckl s TYR 34 CO 0.10 0.04 0.25 -0.06 -1.11 0.00 0.00 175.55 174.77 1ckl s PHE 35 N -0.69 3.63 -0.12 2.71 0.40 0.18 -4.76 117.98 119.32 1ckl s PHE 35 Ca 0.11 0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 57.07 1ckl s PHE 35 Cb -0.10 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1ckl s PHE 35 CO 0.00 0.64 0.12 -0.47 0.70 0.00 0.00 175.22 176.21 1ckl s TYR 36 N -0.85 3.52 -0.14 0.36 5.04 -1.26 0.82 117.35 124.84 1ckl s TYR 36 Ca 0.18 0.46 -0.02 0.00 -2.44 0.00 0.00 57.07 55.25 1ckl s TYR 36 Cb -0.14 -1.94 0.05 0.00 0.35 0.00 0.00 41.96 40.28 1ckl s TYR 36 CO 0.07 0.66 0.03 0.42 -1.34 0.00 0.00 175.55 175.39 1ckl s ILE 37 N -0.88 0.40 0.94 3.14 1.01 -0.70 -4.97 121.20 120.14 1ckl s ILE 37 Ca 0.14 -0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 1ckl s ILE 37 Cb -0.12 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1ckl s ILE 37 CO 0.03 -0.00 0.24 -0.81 0.00 0.00 0.00 174.94 174.40 1ckl n PRO 38 N 5.12 -0.19 -0.09 2.79 -0.04 -1.26 -4.49 135.00 136.83 1ckl n PRO 38 Ca -0.08 -0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.22 1ckl n PRO 38 Cb 0.49 -1.72 -0.14 0.00 -0.04 0.00 0.00 33.50 32.08 1ckl n PRO 38 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ckl n PRO 39 N -0.98 0.68 0.00 0.54 -0.04 -1.26 -5.14 135.00 128.79 1ckl n PRO 39 Ca 0.06 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1ckl n PRO 39 Cb 0.54 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1ckl n PRO 39 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1ckl n LEU 40 N -3.09 0.00 -4.76 1.53 -0.00 -1.26 -4.86 117.00 104.57 1ckl n LEU 40 Ca -0.36 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.24 1ckl n LEU 40 Cb 1.06 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.45 1ckl n LEU 40 CO 0.36 0.00 0.89 0.00 -0.00 0.00 0.00 177.39 178.65 1ckl s ALA 41 N 0.00 3.46 -0.35 1.96 0.00 -1.26 -4.94 121.76 120.62 1ckl s ALA 41 Ca 0.00 1.06 0.14 0.00 0.00 0.00 0.00 51.96 53.16 1ckl s ALA 41 Cb 0.00 -3.41 0.45 0.00 0.00 0.00 0.00 23.12 20.16 1ckl s ALA 41 CO 0.00 -0.40 1.01 0.25 0.00 0.00 0.00 175.76 176.62 1ckl n THR 42 N 1.43 1.44 -3.51 0.00 -2.24 -1.26 -4.29 114.28 105.85 1ckl n THR 42 Ca 0.01 -3.64 -0.10 0.00 -2.27 0.00 0.00 64.05 58.05 1ckl n THR 42 Cb 0.43 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1ckl n THR 42 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1ckl s HIS 43 N -3.27 -0.39 0.27 4.78 -3.43 -1.26 -2.15 115.29 109.84 1ckl s HIS 43 Ca 0.34 0.36 -0.02 0.00 -0.80 0.00 0.00 55.06 54.93 1ckl s HIS 43 Cb 0.44 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 32.09 1ckl s HIS 43 CO -0.03 -0.55 0.32 -0.08 -2.00 0.00 0.00 174.74 172.40 1ckl s THR 44 N -2.73 0.00 0.10 -5.38 -1.32 -0.43 -4.90 115.64 100.98 1ckl s THR 44 Ca 0.02 -1.77 0.03 0.00 -1.21 0.00 0.00 61.69 58.76 1ckl s THR 44 Cb -0.01 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1ckl s THR 44 CO -0.06 0.00 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.64 1ckl s ILE 45 N -3.70 0.81 -0.38 5.08 1.01 -1.26 -1.41 121.20 121.35 1ckl s ILE 45 Ca 0.34 -1.82 -0.20 0.00 0.00 0.00 0.00 60.65 58.97 1ckl s ILE 45 Cb 0.03 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.96 1ckl s ILE 45 CO 0.17 -0.74 0.61 0.00 0.00 0.00 0.00 174.94 174.98 1ckl n ASP 47 N 6.04 0.00 0.14 0.00 5.75 0.50 -0.44 116.55 128.54 1ckl n ASP 47 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.63 1ckl n ASP 47 Cb 0.48 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 1ckl n ASP 47 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1ckl h ARG 48 N 0.00 -0.36 0.00 0.11 3.08 -1.98 -0.96 114.38 114.27 1ckl h ARG 48 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ckl h ARG 48 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ckl h ARG 48 CO 0.00 -0.04 0.00 -1.71 -1.07 0.00 0.00 179.97 177.15 1ckl n ASN 49 N -5.11 0.00 -3.84 7.04 5.15 -1.26 -4.66 115.26 112.58 1ckl n ASN 49 Ca -0.09 -0.08 -0.28 0.00 -0.60 0.00 0.00 54.58 53.53 1ckl n ASN 49 Cb 0.26 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.54 1ckl n ASN 49 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1ckl n HIS 50 N -0.64 -2.27 -4.52 1.20 8.25 -0.36 -4.97 115.22 111.90 1ckl n HIS 50 Ca 0.00 0.90 -0.25 0.00 -0.26 0.00 0.00 57.72 58.11 1ckl n HIS 50 Cb 0.00 -4.17 -0.10 0.00 1.12 0.00 0.00 29.99 26.84 1ckl n HIS 50 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ckl s THR 51 N -3.38 2.19 0.20 1.59 -4.23 -1.26 -4.49 115.64 106.25 1ckl s THR 51 Ca 0.51 -2.22 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 1ckl s THR 51 Cb -0.25 -2.59 -0.07 0.00 1.34 0.00 0.00 72.50 70.93 1ckl s THR 51 CO 0.82 -0.23 0.50 0.26 -0.54 0.00 0.00 174.62 175.42 1ckl s TRP 52 N -2.65 3.46 0.44 3.99 0.52 -1.26 -0.37 118.94 123.06 1ckl s TRP 52 Ca 0.32 0.81 -0.24 0.00 0.02 0.00 0.00 56.10 57.01 1ckl s TRP 52 Cb 0.02 -2.20 -0.08 0.00 -1.15 0.00 0.00 33.47 30.06 1ckl s TRP 52 CO 0.16 0.33 1.15 -0.51 0.02 0.00 0.00 176.95 178.09 1ckl s LEU 53 N -2.68 4.07 0.58 2.99 1.43 -0.18 -4.91 118.68 119.98 1ckl s LEU 53 Ca 0.45 2.27 -0.20 0.00 -1.03 0.00 0.00 54.13 55.61 1ckl s LEU 53 Cb -0.12 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1ckl s LEU 53 CO 0.22 -0.79 1.16 -2.65 0.23 0.00 0.00 176.35 174.51 1ckl n PRO 54 N -0.30 1.21 -3.54 1.29 -0.02 -1.26 -4.68 135.00 127.70 1ckl n PRO 54 Ca 0.06 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 1ckl n PRO 54 Cb 0.48 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1ckl n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ckl s VAL 55 N -1.40 0.02 -0.01 -1.45 0.11 -1.26 -4.98 120.40 111.43 1ckl s VAL 55 Ca 0.75 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 1ckl s VAL 55 Cb -0.42 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1ckl s VAL 55 CO 0.47 -0.09 -0.15 -0.55 -3.33 0.00 0.00 175.10 171.45 1ckl s SER 56 N -2.05 1.73 0.00 3.54 0.15 -1.26 -5.00 113.70 110.81 1ckl s SER 56 Ca -0.04 -0.27 0.18 0.00 0.70 0.00 0.00 55.95 56.51 1ckl s SER 56 Cb -0.01 -0.21 0.86 0.00 -1.71 0.00 0.00 66.02 64.95 1ckl s SER 56 CO -0.03 0.18 1.54 -0.90 1.20 0.00 0.00 173.24 175.23 1ckl n ASP 57 N 2.75 0.00 0.00 5.45 5.75 -1.26 -3.89 116.55 125.35 1ckl n ASP 57 Ca -0.15 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1ckl n ASP 57 Cb 0.55 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1ckl n ASP 57 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ckl n ASP 58 N -1.34 0.00 -0.09 -1.12 9.92 -1.26 -2.09 116.55 120.57 1ckl n ASP 58 Ca 0.07 0.17 0.12 0.00 -0.53 0.00 0.00 54.79 54.62 1ckl n ASP 58 Cb 0.16 -0.17 0.23 0.00 -0.64 0.00 0.00 41.12 40.70 1ckl n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckl n ALA 59 N -1.17 3.55 -2.92 2.24 0.00 -1.25 -4.81 120.51 116.15 1ckl n ALA 59 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 1ckl n ALA 59 Cb 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 1ckl n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckl s TYR 61 N 1.57 3.08 0.06 0.00 2.02 0.24 -4.84 117.35 119.48 1ckl s TYR 61 Ca 0.03 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1ckl s TYR 61 Cb -0.18 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1ckl s TYR 61 CO 0.06 0.05 0.19 -0.98 -1.57 0.00 0.00 175.55 173.29 1ckl s ARG 62 N 0.24 3.34 0.30 -0.62 1.70 -1.26 0.47 118.95 123.12 1ckl s ARG 62 Ca -0.01 -0.48 -0.11 0.00 -0.47 0.00 0.00 55.73 54.66 1ckl s ARG 62 Cb -0.14 -2.99 -0.09 0.00 -0.57 0.00 0.00 34.95 31.17 1ckl s ARG 62 CO 0.02 0.60 -0.08 0.39 -1.08 0.00 0.00 175.30 175.16 1ckl n GLU 63 N 0.32 0.00 -4.31 3.89 4.71 -1.26 -4.42 120.64 119.57 1ckl n GLU 63 Ca -0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.76 1ckl n GLU 63 Cb 0.51 -0.58 -0.16 0.00 -1.01 0.00 0.00 31.44 30.20 1ckl n GLU 63 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1ckl s THR 64 N -1.17 2.29 0.40 2.62 -4.23 -1.25 -1.90 115.64 112.40 1ckl s THR 64 Ca 0.33 -0.88 -0.27 0.00 -1.18 0.00 0.00 61.69 59.70 1ckl s THR 64 Cb -0.29 -1.96 -0.10 0.00 1.34 0.00 0.00 72.50 71.49 1ckl s THR 64 CO 0.39 0.53 1.41 0.00 -0.54 0.00 0.00 174.62 176.41 1ckl n PRO 66 N 0.21 -0.01 -1.73 0.00 -0.02 -1.26 -4.92 135.00 127.28 1ckl n PRO 66 Ca 0.03 0.03 -0.38 0.00 -2.02 0.00 0.00 63.50 61.16 1ckl n PRO 66 Cb 0.41 -1.66 0.06 0.00 -0.02 0.00 0.00 33.50 32.29 1ckl n PRO 66 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1ckl n TYR 67 N -2.85 2.04 -3.94 6.00 9.36 -1.26 -5.00 117.16 121.51 1ckl n TYR 67 Ca 0.06 0.43 -0.31 0.00 3.32 0.00 0.00 57.90 61.40 1ckl n TYR 67 Cb 0.52 -2.30 -0.15 0.00 -0.63 0.00 0.00 39.34 36.78 1ckl n TYR 67 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1ckl s ILE 68 N -1.35 1.85 0.03 2.97 1.01 -1.26 -5.07 121.20 119.39 1ckl s ILE 68 Ca 0.77 -2.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 1ckl s ILE 68 Cb -0.40 -2.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.63 1ckl s ILE 68 CO 0.45 -0.59 1.91 -0.60 0.00 0.00 0.00 174.94 176.10 1ckl s ARG 69 N 1.13 4.15 0.07 2.79 3.52 -1.26 -4.67 118.95 124.66 1ckl s ARG 69 Ca 0.09 2.55 -0.37 0.00 -0.13 0.00 0.00 55.73 57.87 1ckl s ARG 69 Cb -0.19 -4.09 -0.17 0.00 -1.56 0.00 0.00 34.95 28.95 1ckl s ARG 69 CO -0.13 -0.93 1.29 -0.40 -0.81 0.00 0.00 175.30 174.32 1ckl n ASP 70 N 7.31 1.31 -4.64 -2.12 5.68 -1.26 -4.85 116.55 117.99 1ckl n ASP 70 Ca 0.19 1.13 -0.42 0.00 -0.50 0.00 0.00 54.79 55.19 1ckl n ASP 70 Cb 0.41 -1.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.26 1ckl n ASP 70 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1ckl n PRO 71 N 2.33 1.62 -1.69 0.11 -0.04 -1.01 -4.76 135.00 131.55 1ckl n PRO 71 Ca 0.19 0.57 -0.61 0.00 -0.04 0.00 0.00 63.50 63.61 1ckl n PRO 71 Cb 0.17 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.44 1ckl n PRO 71 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ckl n LEU 72 N 0.70 1.66 -1.17 1.53 4.77 -1.26 -0.62 117.00 122.61 1ckl n LEU 72 Ca 0.08 1.13 -0.12 0.00 -0.03 0.00 0.00 56.01 57.06 1ckl n LEU 72 Cb 0.37 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 1ckl n LEU 72 CO 0.59 -0.78 -0.14 0.59 -1.33 0.00 0.00 177.39 176.32 1ckl n ASN 73 N 4.22 -4.25 -3.54 -1.43 3.02 -1.26 -4.17 115.26 107.84 1ckl n ASN 73 Ca 0.27 0.16 -0.15 0.00 -0.03 0.00 0.00 54.58 54.83 1ckl n ASN 73 Cb 0.06 -3.13 -0.05 0.00 -0.61 0.00 0.00 39.78 36.05 1ckl n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ckl s GLY 74 N -2.67 -0.47 0.06 7.41 0.00 0.21 -2.53 107.32 109.33 1ckl s GLY 74 Ca 0.00 1.53 0.05 0.00 0.00 0.00 0.00 44.72 46.30 1ckl s GLY 74 CO 0.00 0.94 -0.06 1.62 0.00 0.00 0.00 173.10 175.60 1ckl s GLN 75 N -1.30 2.42 -0.26 2.90 0.74 -1.18 -2.41 119.66 120.56 1ckl s GLN 75 Ca -0.07 -0.85 -0.15 0.00 0.05 0.00 0.00 55.36 54.34 1ckl s GLN 75 Cb -0.00 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 1ckl s GLN 75 CO 0.06 0.55 0.37 0.00 -0.55 0.00 0.00 175.29 175.71 1ckl s ALA 76 N -1.17 3.57 -0.19 1.58 0.00 -1.26 -3.50 121.76 120.78 1ckl s ALA 76 Ca 0.21 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1ckl s ALA 76 Cb -0.11 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.37 1ckl s ALA 76 CO 0.13 -0.58 -0.12 0.14 0.00 0.00 0.00 175.76 175.33 1ckl s VAL 77 N 1.91 1.68 -0.60 0.00 -7.23 0.35 -4.83 120.40 111.68 1ckl s VAL 77 Ca 0.15 -0.95 -0.28 0.00 -1.81 0.00 0.00 61.98 59.09 1ckl s VAL 77 Cb -0.16 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1ckl s VAL 77 CO 0.09 0.24 1.34 -2.84 -0.31 0.00 0.00 175.10 173.63 1ckl s PRO 78 N 1.40 3.32 0.88 4.82 0.02 -1.26 -1.94 135.00 142.23 1ckl s PRO 78 Ca 0.00 0.28 -0.10 0.00 0.02 0.00 0.00 61.00 61.20 1ckl s PRO 78 Cb -0.15 -4.11 0.12 0.00 0.02 0.00 0.00 34.50 30.38 1ckl s PRO 78 CO -0.09 -1.93 1.12 0.00 -0.33 0.00 0.00 177.00 175.77 1ckl s ALA 79 N 5.79 1.63 -0.16 -1.55 0.00 -1.13 -1.30 121.76 125.04 1ckl s ALA 79 Ca 0.47 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1ckl s ALA 79 Cb -0.09 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ckl s ALA 79 CO 0.23 -2.49 0.00 0.09 0.00 0.00 0.00 175.76 173.60 1ckl n ASN 80 N -4.03 -4.90 -2.88 0.00 5.03 -1.26 -4.17 115.26 103.05 1ckl n ASN 80 Ca 0.10 0.04 -0.19 0.00 0.87 0.00 0.00 54.58 55.40 1ckl n ASN 80 Cb 0.53 -2.53 -0.03 0.00 -1.02 0.00 0.00 39.78 36.72 1ckl n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ckl n GLY 81 N -0.52 -0.26 3.32 7.41 0.00 -0.42 -4.87 105.19 109.85 1ckl n GLY 81 Ca -0.02 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1ckl n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ckl s THR 82 N -2.04 0.05 -0.26 2.61 -1.32 -1.26 -5.03 115.64 108.41 1ckl s THR 82 Ca 0.36 -0.44 0.13 0.00 -1.21 0.00 0.00 61.69 60.53 1ckl s THR 82 Cb -0.21 -0.93 0.66 0.00 -1.51 0.00 0.00 72.50 70.51 1ckl s THR 82 CO 0.45 -0.24 1.63 -1.22 -2.21 0.00 0.00 174.62 173.02 1ckl n TYR 83 N 0.58 1.72 -2.66 9.09 4.02 -1.26 -4.76 117.16 123.88 1ckl n TYR 83 Ca -0.19 -1.06 -0.30 0.00 -0.01 0.00 0.00 57.90 56.34 1ckl n TYR 83 Cb 0.59 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 1ckl n TYR 83 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1ckl s GLU 84 N -2.94 3.78 0.38 -0.72 2.02 -1.26 -1.10 118.70 118.87 1ckl s GLU 84 Ca 0.49 0.57 -0.26 0.00 0.02 0.00 0.00 54.97 55.80 1ckl s GLU 84 Cb 0.40 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 32.23 1ckl s GLU 84 CO 0.11 -0.14 1.15 -0.59 0.02 0.00 0.00 175.26 175.81 1ckl s PHE 85 N -2.52 3.14 0.00 1.61 -0.12 -0.80 -3.18 117.98 116.12 1ckl s PHE 85 Ca 0.53 1.57 0.00 0.00 -0.05 0.00 0.00 56.93 58.98 1ckl s PHE 85 Cb -0.10 -3.37 0.00 0.00 -0.63 0.00 0.00 43.02 38.92 1ckl s PHE 85 CO 0.34 -1.18 0.00 0.41 -0.05 0.00 0.00 175.22 174.74 1ckl n GLY 86 N 0.67 0.70 3.61 1.99 0.00 -0.17 -4.96 105.19 107.03 1ckl n GLY 86 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1ckl n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 87 N -2.00 1.96 0.11 1.61 2.02 -1.19 -4.97 117.35 114.89 1ckl s TYR 87 Ca 0.00 -1.01 0.02 0.00 -0.37 0.00 0.00 57.07 55.71 1ckl s TYR 87 Cb 0.00 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1ckl s TYR 87 CO 0.00 0.07 -0.05 1.14 -1.57 0.00 0.00 175.55 175.14 1ckl s GLN 88 N -3.80 0.89 0.01 -0.62 -2.07 -1.26 -1.23 119.66 111.58 1ckl s GLN 88 Ca 0.21 -1.38 0.01 0.00 -1.82 0.00 0.00 55.36 52.38 1ckl s GLN 88 Cb 0.04 -0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.71 1ckl s GLN 88 CO 0.11 -0.04 0.04 1.41 -1.32 0.00 0.00 175.29 175.48 1ckl s MET 89 N -3.85 2.87 0.05 9.60 -2.45 0.73 -2.86 119.30 123.40 1ckl s MET 89 Ca 0.14 -0.59 0.06 0.00 -1.25 0.00 0.00 55.69 54.06 1ckl s MET 89 Cb 0.05 -2.73 -0.03 0.00 1.25 0.00 0.00 34.83 33.38 1ckl s MET 89 CO -0.03 0.62 -0.18 -1.01 1.05 0.00 0.00 175.02 175.47 1ckl s HIS 90 N -1.17 1.55 -0.01 4.11 3.76 -0.82 -1.17 115.29 121.55 1ckl s HIS 90 Ca 0.22 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.78 1ckl s HIS 90 Cb -0.12 -0.91 -0.01 0.00 1.11 0.00 0.00 32.58 32.66 1ckl s HIS 90 CO 0.13 0.09 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.96 1ckl s PHE 91 N -0.91 0.84 0.02 1.40 0.40 -1.04 -0.49 117.98 118.19 1ckl s PHE 91 Ca 0.04 -0.16 -0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1ckl s PHE 91 Cb -0.09 -0.54 -0.00 0.00 0.51 0.00 0.00 43.02 42.90 1ckl s PHE 91 CO 0.02 -0.01 0.13 0.96 0.70 0.00 0.00 175.22 177.02 1ckl s ILE 92 N -0.23 0.10 -0.11 0.64 -4.36 -1.23 -4.85 121.20 111.17 1ckl s ILE 92 Ca 0.03 -0.82 -0.09 0.00 -0.26 0.00 0.00 60.65 59.51 1ckl s ILE 92 Cb -0.04 -0.60 -0.04 0.00 1.25 0.00 0.00 42.46 43.03 1ckl s ILE 92 CO -0.00 -0.45 0.21 0.00 0.24 0.00 0.00 174.94 174.93 1ckl s ASN 94 N -0.79 0.16 -0.05 0.00 3.84 -1.05 -4.75 114.94 112.30 1ckl s ASN 94 Ca 0.16 0.83 -0.41 0.00 0.21 0.00 0.00 52.86 53.66 1ckl s ASN 94 Cb -0.13 -1.20 -0.20 0.00 -0.55 0.00 0.00 41.25 39.17 1ckl s ASN 94 CO 0.05 -4.61 1.12 1.21 -2.79 0.00 0.00 177.10 172.08 1ckl n GLU 95 N -5.12 0.00 0.00 0.43 4.07 -1.26 -2.45 120.64 116.30 1ckl n GLU 95 Ca 0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1ckl n GLU 95 Cb 0.59 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 1ckl n GLU 95 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ckl n GLY 96 N 1.76 1.85 3.68 8.31 0.00 -1.26 -5.05 105.19 114.48 1ckl n GLY 96 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1ckl n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 97 N -2.46 2.62 0.13 1.61 1.51 -1.03 -3.24 117.35 116.50 1ckl s TYR 97 Ca 0.00 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1ckl s TYR 97 Cb 0.00 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1ckl s TYR 97 CO 0.00 0.42 -0.11 1.52 -1.11 0.00 0.00 175.55 176.27 1ckl s TYR 98 N -2.48 1.28 0.43 2.71 -0.85 -0.72 -4.80 117.35 112.92 1ckl s TYR 98 Ca 0.36 -0.68 -0.08 0.00 -0.52 0.00 0.00 57.07 56.16 1ckl s TYR 98 Cb -0.01 -0.66 -0.05 0.00 0.38 0.00 0.00 41.96 41.62 1ckl s TYR 98 CO 0.21 0.10 0.76 -0.51 -1.52 0.00 0.00 175.55 174.58 1ckl s LEU 99 N -2.86 3.76 -0.28 -3.49 1.02 -1.26 -1.85 118.68 113.72 1ckl s LEU 99 Ca 0.13 1.00 0.00 0.00 0.02 0.00 0.00 54.13 55.28 1ckl s LEU 99 Cb -0.01 -3.91 0.14 0.00 0.02 0.00 0.00 46.19 42.44 1ckl s LEU 99 CO 0.01 -0.46 0.35 -0.63 0.02 0.00 0.00 176.35 175.64 1ckl s ILE 100 N -2.52 -0.53 -4.43 -0.59 -1.09 -0.32 -4.97 121.20 106.75 1ckl s ILE 100 Ca 0.49 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1ckl s ILE 100 Cb -0.10 -0.95 0.00 0.00 -1.58 0.00 0.00 42.46 39.83 1ckl s ILE 100 CO 0.37 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1ckl n GLY 101 N 5.34 0.46 3.70 6.18 0.00 -1.26 -0.61 105.19 118.99 1ckl n GLY 101 Ca -0.01 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 1ckl n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckl s GLU 102 N -2.00 2.80 0.09 1.61 2.02 -1.26 -4.92 118.70 117.04 1ckl s GLU 102 Ca 0.00 -0.62 -0.23 0.00 0.02 0.00 0.00 54.97 54.14 1ckl s GLU 102 Cb 0.00 -2.68 -0.14 0.00 0.10 0.00 0.00 34.13 31.41 1ckl s GLU 102 CO 0.00 0.62 1.72 1.49 0.02 0.00 0.00 175.26 179.11 1ckl h GLU 103 N 4.18 0.04 -5.46 1.61 4.57 -1.96 -3.39 114.58 114.17 1ckl h GLU 103 Ca -0.49 -0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.20 1ckl h GLU 103 Cb 1.18 -0.01 -0.28 0.00 -0.16 0.00 0.00 28.75 29.48 1ckl h GLU 103 CO 0.58 0.05 -0.81 0.42 -1.18 0.00 0.00 179.01 178.07 1ckl s ILE 104 N -6.09 1.22 0.00 2.32 1.01 -1.26 -2.49 121.20 115.91 1ckl s ILE 104 Ca -0.13 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.77 1ckl s ILE 104 Cb 0.06 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1ckl s ILE 104 CO 0.67 0.23 -0.18 -0.76 0.00 0.00 0.00 174.94 174.90 1ckl s LEU 105 N -0.67 2.07 0.13 2.97 1.43 -0.32 -4.97 118.68 119.32 1ckl s LEU 105 Ca 0.05 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 1ckl s LEU 105 Cb -0.07 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1ckl s LEU 105 CO 0.00 0.19 0.03 -0.31 0.23 0.00 0.00 176.35 176.49 1ckl s TYR 106 N -0.51 2.98 -0.34 0.29 1.51 -1.26 -0.19 117.35 119.82 1ckl s TYR 106 Ca 0.06 -0.06 -0.10 0.00 -1.01 0.00 0.00 57.07 55.97 1ckl s TYR 106 Cb -0.07 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1ckl s TYR 106 CO -0.00 0.50 0.17 0.00 -1.11 0.00 0.00 175.55 175.11 1ckl s GLU 108 N 1.55 3.83 -0.36 0.00 2.02 -0.86 -1.00 118.70 123.88 1ckl s GLU 108 Ca 0.02 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.40 1ckl s GLU 108 Cb -0.18 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 30.90 1ckl s GLU 108 CO 0.06 0.37 1.07 -1.17 0.02 0.00 0.00 175.26 175.61 1ckl s LEU 109 N 0.10 3.87 -0.33 1.80 2.96 -1.26 -1.35 118.68 124.47 1ckl s LEU 109 Ca 0.05 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1ckl s LEU 109 Cb -0.12 -3.51 0.13 0.00 0.50 0.00 0.00 46.19 43.18 1ckl s LEU 109 CO 0.01 -0.96 0.23 -0.54 -1.32 0.00 0.00 176.35 173.77 1ckl s LYS 110 N 3.81 0.43 7.55 1.98 1.02 -0.48 -5.02 119.74 129.03 1ckl s LYS 110 Ca 0.45 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1ckl s LYS 110 Cb -0.11 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.15 1ckl s LYS 110 CO 0.19 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.91 1ckl n GLY 111 N 4.62 2.50 0.89 -3.33 0.00 -1.26 -2.93 105.19 105.68 1ckl n GLY 111 Ca 0.05 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.84 1ckl n GLY 111 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ckl n SER 112 N 7.99 2.62 -3.97 1.61 2.88 -1.26 -4.93 113.62 118.56 1ckl n SER 112 Ca 0.00 -1.93 -0.09 0.00 -1.33 0.00 0.00 58.87 55.52 1ckl n SER 112 Cb 0.00 -0.27 -0.10 0.00 -0.75 0.00 0.00 64.21 63.09 1ckl n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ckl s VAL 113 N -1.47 0.13 -0.17 2.46 0.11 -1.15 -5.12 120.40 115.19 1ckl s VAL 113 Ca 0.35 -1.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1ckl s VAL 113 Cb 0.19 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1ckl s VAL 113 CO 0.26 -0.60 -0.17 0.00 -3.33 0.00 0.00 175.10 171.25 1ckl s ALA 114 N -2.21 2.41 0.08 1.54 0.00 -1.26 -1.38 121.76 120.94 1ckl s ALA 114 Ca -0.09 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1ckl s ALA 114 Cb -0.04 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1ckl s ALA 114 CO -0.03 -0.23 -0.21 0.42 0.00 0.00 0.00 175.76 175.71 1ckl s ILE 115 N 1.13 1.68 0.10 0.00 1.01 -0.46 -4.23 121.20 120.43 1ckl s ILE 115 Ca 0.01 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 58.95 1ckl s ILE 115 Cb -0.14 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.74 1ckl s ILE 115 CO -0.07 0.04 1.60 0.26 0.00 0.00 0.00 174.94 176.77 1ckl s TRP 116 N -1.01 2.71 -1.80 3.97 0.23 -1.26 -2.02 118.94 119.76 1ckl s TRP 116 Ca 0.07 0.48 0.00 0.00 -2.03 0.00 0.00 56.10 54.62 1ckl s TRP 116 Cb -0.09 -3.92 0.00 0.00 0.03 0.00 0.00 33.47 29.48 1ckl s TRP 116 CO 0.03 -3.57 0.51 -1.13 0.96 0.00 0.00 176.95 173.75 1ckl n SER 117 N 4.92 0.00 0.00 2.95 3.41 0.58 -4.80 113.62 120.67 1ckl n SER 117 Ca 0.15 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1ckl n SER 117 Cb 0.40 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1ckl n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ckl n GLY 118 N -1.01 1.61 3.47 5.00 0.00 -1.26 -4.91 105.19 108.09 1ckl n GLY 118 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1ckl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckl s LYS 119 N 1.55 2.47 0.22 1.61 -2.85 -1.26 -5.09 119.74 116.40 1ckl s LYS 119 Ca 0.00 -0.71 -0.32 0.00 -1.00 0.00 0.00 55.97 53.94 1ckl s LYS 119 Cb 0.00 -2.36 -0.13 0.00 -2.06 0.00 0.00 37.83 33.29 1ckl s LYS 119 CO 0.00 0.62 1.59 -0.35 0.10 0.00 0.00 175.35 177.31 1ckl n PRO 120 N 2.29 2.45 0.00 1.78 -0.04 -1.26 -4.45 135.00 135.76 1ckl n PRO 120 Ca -0.17 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1ckl n PRO 120 Cb 0.52 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1ckl n PRO 120 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ckl n PRO 121 N 2.98 0.87 -3.88 0.54 -0.04 -1.26 -4.89 135.00 129.31 1ckl n PRO 121 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1ckl n PRO 121 Cb 0.33 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.70 1ckl n PRO 121 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ckl s ILE 122 N -0.16 0.11 -0.04 0.52 1.01 0.22 -4.75 121.20 118.10 1ckl s ILE 122 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1ckl s ILE 122 Cb 0.00 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1ckl s ILE 122 CO 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 174.94 174.26 1ckl s GLU 124 N -0.62 0.72 0.75 0.00 2.02 -0.77 -4.91 118.70 115.89 1ckl s GLU 124 Ca 0.09 -0.89 -0.14 0.00 0.02 0.00 0.00 54.97 54.05 1ckl s GLU 124 Cb -0.11 0.28 0.05 0.00 0.10 0.00 0.00 34.13 34.46 1ckl s GLU 124 CO 0.00 -0.20 1.18 0.15 0.02 0.00 0.00 175.26 176.42 1ckl s LYS 125 N -3.34 2.04 0.00 1.61 1.02 -1.26 -1.75 119.74 118.05 1ckl s LYS 125 Ca 0.01 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.66 1ckl s LYS 125 Cb 0.03 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1ckl s LYS 125 CO -0.08 -1.89 0.00 1.55 -0.92 0.00 0.00 175.35 174.01