#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 3.53 -2.31 0.00 1.02 -1.26 0.37 120.64 121.99 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 2.72 4.41 0.79 3.49 8.01 -1.26 -4.55 118.70 132.32 1ckl s GLU 3 Ca 0.00 1.92 -0.14 0.00 0.01 0.00 0.00 54.97 56.76 1ckl s GLU 3 Cb 0.00 -3.27 0.07 0.00 -4.31 0.00 0.00 34.13 26.62 1ckl s GLU 3 CO 0.00 -0.26 1.21 -1.25 0.01 0.00 0.00 175.26 174.96 1ckl s PRO 4 N 0.58 1.75 1.11 0.39 0.04 -1.26 -4.97 135.00 132.63 1ckl s PRO 4 Ca 0.58 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1ckl s PRO 4 Cb -0.33 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.51 1ckl s PRO 4 CO 0.33 -2.13 -0.04 -2.30 0.04 0.00 0.00 177.00 172.90 1ckl n PRO 5 N -3.17 -1.49 -5.05 0.56 -0.02 -1.26 -5.03 135.00 119.54 1ckl n PRO 5 Ca 0.13 -0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 60.90 1ckl n PRO 5 Cb 0.50 -1.68 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.05 0.22 3.45 -4.23 -1.26 -4.90 115.64 108.73 1ckl s THR 6 Ca 0.55 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 1ckl s THR 6 Cb -0.11 -1.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.94 1ckl s THR 6 CO 0.66 0.44 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.75 1ckl s PHE 7 N -0.71 1.63 -0.22 3.99 0.08 -1.24 -5.04 117.98 116.46 1ckl s PHE 7 Ca 0.11 -0.74 0.19 0.00 0.12 0.00 0.00 56.93 56.60 1ckl s PHE 7 Cb -0.10 -0.87 0.04 0.00 -0.57 0.00 0.00 43.02 41.52 1ckl s PHE 7 CO 0.01 0.17 1.19 1.49 -0.10 0.00 0.00 175.22 177.97 1ckl h GLU 8 N 2.51 0.00 0.00 0.44 4.81 -2.01 -3.37 114.58 116.97 1ckl h GLU 8 Ca -0.38 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.66 1ckl h GLU 8 Cb 1.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1ckl h GLU 8 CO 0.64 0.21 -2.08 0.00 -0.73 0.00 0.00 179.01 177.05 1ckl n ALA 9 N -2.24 2.04 -2.64 2.92 0.00 -1.26 -4.90 120.51 114.42 1ckl n ALA 9 Ca -0.02 -0.88 -0.33 0.00 0.00 0.00 0.00 53.44 52.22 1ckl n ALA 9 Cb 0.68 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.81 2.71 -0.07 0.00 -1.94 -1.26 -0.71 119.30 115.22 1ckl s MET 10 Ca -0.08 -0.63 0.05 0.00 -1.71 0.00 0.00 55.69 53.32 1ckl s MET 10 Cb 0.08 -2.61 -0.00 0.00 2.01 0.00 0.00 34.83 34.30 1ckl s MET 10 CO 0.76 0.63 -0.24 -1.21 -0.01 0.00 0.00 175.02 174.95 1ckl s GLU 11 N -1.38 2.68 0.63 2.03 2.02 -0.26 -3.72 118.70 120.69 1ckl s GLU 11 Ca 0.17 -0.86 -0.18 0.00 0.02 0.00 0.00 54.97 54.12 1ckl s GLU 11 Cb -0.11 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1ckl s GLU 11 CO 0.08 0.28 1.28 -1.17 0.02 0.00 0.00 175.26 175.74 1ckl s LEU 12 N 0.08 3.61 -0.09 1.80 2.96 -1.26 -1.15 118.68 124.63 1ckl s LEU 12 Ca -0.10 2.58 -0.11 0.00 -0.22 0.00 0.00 54.13 56.28 1ckl s LEU 12 Cb -0.15 -4.59 -0.05 0.00 0.50 0.00 0.00 46.19 41.89 1ckl s LEU 12 CO 0.06 -1.89 0.26 -0.63 -1.32 0.00 0.00 176.35 172.83 1ckl s ILE 13 N -1.43 5.30 0.05 6.68 1.01 0.18 -4.79 121.20 128.21 1ckl s ILE 13 Ca 0.81 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1ckl s ILE 13 Cb -0.36 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1ckl s ILE 13 CO 0.39 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.49 1ckl n GLY 14 N 2.24 -2.55 3.79 6.18 0.00 -1.26 -4.74 105.19 108.84 1ckl n GLY 14 Ca -0.16 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.92 4.47 0.25 1.61 1.02 -1.26 -5.02 119.74 117.89 1ckl s LYS 15 Ca 0.00 1.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.75 1ckl s LYS 15 Cb 0.00 -3.15 -0.13 0.00 -0.52 0.00 0.00 37.83 34.02 1ckl s LYS 15 CO 0.00 0.52 1.36 -2.30 -0.92 0.00 0.00 175.35 174.01 1ckl n PRO 16 N 1.36 1.96 -3.79 -1.68 -0.02 -1.26 -5.03 135.00 126.53 1ckl n PRO 16 Ca -0.05 0.69 -0.20 0.00 -2.02 0.00 0.00 63.50 61.92 1ckl n PRO 16 Cb 0.49 -2.32 -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 -0.63 3.19 0.05 -0.52 1.02 -1.26 -5.04 119.74 116.56 1ckl s LYS 17 Ca 0.67 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 1ckl s LYS 17 Cb -0.66 -2.78 -0.29 0.00 -0.52 0.00 0.00 37.83 33.58 1ckl s LYS 17 CO 0.52 0.26 1.06 -1.00 -0.92 0.00 0.00 175.35 175.27 1ckl h PRO 18 N 1.12 0.31 -4.62 -1.68 0.13 -1.92 -3.37 132.00 121.96 1ckl h PRO 18 Ca -0.49 -0.52 -0.38 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 0.58 1.23 -0.77 -0.47 -0.23 0.00 0.00 178.00 178.33 1ckl s TYR 19 N -2.64 0.74 -0.06 1.56 5.04 -1.26 -4.22 117.35 116.51 1ckl s TYR 19 Ca -0.06 -0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.47 1ckl s TYR 19 Cb 0.07 -0.48 0.00 0.00 0.35 0.00 0.00 41.96 41.89 1ckl s TYR 19 CO 0.89 -0.02 -0.17 0.71 -1.34 0.00 0.00 175.55 175.62 1ckl s TYR 20 N -0.16 1.78 0.63 4.97 2.02 0.16 -4.93 117.35 121.83 1ckl s TYR 20 Ca 0.03 -0.59 -0.16 0.00 -0.37 0.00 0.00 57.07 55.98 1ckl s TYR 20 Cb -0.04 -1.22 -0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1ckl s TYR 20 CO -0.00 -0.23 1.12 -1.21 -1.57 0.00 0.00 175.55 173.65 1ckl s GLU 21 N 0.24 2.91 0.19 -0.62 0.41 -1.26 -0.29 118.70 120.28 1ckl s GLU 21 Ca -0.09 1.45 -0.31 0.00 -0.41 0.00 0.00 54.97 55.61 1ckl s GLU 21 Cb -0.14 -1.96 -0.10 0.00 -1.78 0.00 0.00 34.13 30.16 1ckl s GLU 21 CO 0.04 -1.17 1.47 0.42 -0.49 0.00 0.00 175.26 175.52 1ckl s ILE 22 N -2.20 2.81 0.00 -1.63 1.01 -1.26 -1.55 121.20 118.38 1ckl s ILE 22 Ca 0.68 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.96 1ckl s ILE 22 Cb -0.21 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1ckl s ILE 22 CO 0.38 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1ckl n GLY 23 N 3.03 0.66 3.75 6.18 0.00 0.58 -4.98 105.19 114.40 1ckl n GLY 23 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.72 4.84 -0.12 1.61 2.02 -0.60 -4.81 118.70 120.93 1ckl s GLU 24 Ca 0.00 1.50 0.02 0.00 0.02 0.00 0.00 54.97 56.51 1ckl s GLU 24 Cb 0.00 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 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 -1.23 3.21 -0.01 1.61 3.52 -1.26 -1.38 118.95 123.41 1ckl s ARG 25 Ca 0.42 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1ckl s ARG 25 Cb -0.26 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1ckl s ARG 25 CO 0.32 0.19 -0.07 0.14 -0.81 0.00 0.00 175.30 175.07 1ckl s VAL 26 N 0.35 3.64 0.04 7.11 -7.23 -0.68 -4.98 120.40 118.65 1ckl s VAL 26 Ca -0.15 -0.73 0.09 0.00 -1.81 0.00 0.00 61.98 59.38 1ckl s VAL 26 Cb -0.17 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1ckl s VAL 26 CO 0.07 0.43 -0.26 -1.81 -0.31 0.00 0.00 175.10 173.23 1ckl s ASP 27 N -1.31 3.07 0.54 4.85 1.11 -1.26 -1.39 116.67 122.29 1ckl s ASP 27 Ca 0.16 -0.57 0.03 0.00 0.18 0.00 0.00 52.55 52.34 1ckl s ASP 27 Cb -0.11 -0.28 0.02 0.00 1.07 0.00 0.00 42.92 43.62 1ckl s ASP 27 CO 0.06 0.25 0.19 -0.31 1.18 0.00 0.00 175.17 176.55 1ckl s TYR 28 N -0.79 1.65 0.16 4.23 1.51 -0.89 -0.64 117.35 122.57 1ckl s TYR 28 Ca 0.11 -0.94 -0.10 0.00 -1.01 0.00 0.00 57.07 55.13 1ckl s TYR 28 Cb -0.10 -1.73 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1ckl s TYR 28 CO 0.02 -0.14 0.30 -1.59 -1.11 0.00 0.00 175.55 173.03 1ckl s LYS 29 N -4.09 1.13 -0.18 -0.62 -2.85 -0.30 -4.81 119.74 108.02 1ckl s LYS 29 Ca 0.16 -1.10 -0.25 0.00 -1.00 0.00 0.00 55.97 53.77 1ckl s LYS 29 Cb -0.01 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1ckl s LYS 29 CO 0.10 -0.42 0.83 0.00 0.10 0.00 0.00 175.35 175.97 1ckl n LYS 31 N 5.38 1.55 -1.03 0.00 5.02 0.11 -4.73 118.16 124.47 1ckl n LYS 31 Ca 0.05 0.56 -0.37 0.00 -2.02 0.00 0.00 58.31 56.52 1ckl n LYS 31 Cb 0.48 -2.21 -0.04 0.00 -0.02 0.00 0.00 35.03 33.25 1ckl n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ckl n LYS 32 N 2.58 0.00 -0.62 1.97 4.81 -1.26 -1.40 118.16 124.24 1ckl n LYS 32 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1ckl n LYS 32 Cb 0.24 -0.86 0.00 0.00 0.02 0.00 0.00 35.03 34.43 1ckl n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ckl n GLY 33 N 1.27 0.68 3.16 3.14 0.00 -1.26 -5.04 105.19 107.15 1ckl n GLY 33 Ca 0.13 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 1.09 0.10 1.61 2.02 -0.49 -3.92 117.35 115.75 1ckl s TYR 34 Ca 0.00 -0.53 0.07 0.00 -0.37 0.00 0.00 57.07 56.24 1ckl s TYR 34 Cb 0.00 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1ckl s TYR 34 CO 0.00 0.02 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.76 1ckl s PHE 35 N -1.70 1.61 0.22 2.71 0.40 0.12 -4.74 117.98 116.60 1ckl s PHE 35 Ca -0.00 -0.44 -0.20 0.00 -0.60 0.00 0.00 56.93 55.68 1ckl s PHE 35 Cb -0.08 -0.88 -0.08 0.00 0.51 0.00 0.00 43.02 42.50 1ckl s PHE 35 CO 0.01 0.17 0.73 -0.47 0.70 0.00 0.00 175.22 176.37 1ckl s TYR 36 N -1.34 3.66 -0.22 0.36 5.04 -1.26 -1.57 117.35 122.02 1ckl s TYR 36 Ca 0.05 1.40 -0.04 0.00 -2.44 0.00 0.00 57.07 56.04 1ckl s TYR 36 Cb -0.09 -2.63 0.08 0.00 0.35 0.00 0.00 41.96 39.67 1ckl s TYR 36 CO 0.04 0.34 0.12 0.42 -1.34 0.00 0.00 175.55 175.12 1ckl s ILE 37 N -1.51 -0.10 1.24 3.14 1.09 -0.38 -4.99 121.20 119.68 1ckl s ILE 37 Ca 0.43 -0.38 -0.17 0.00 -1.10 0.00 0.00 60.65 59.43 1ckl s ILE 37 Cb -0.17 -0.73 0.27 0.00 -1.06 0.00 0.00 42.46 40.77 1ckl s ILE 37 CO 0.21 -0.44 0.67 -2.65 -0.10 0.00 0.00 174.94 172.63 1ckl n PRO 38 N 5.27 -3.01 0.08 2.79 -0.02 -1.26 -4.47 135.00 134.38 1ckl n PRO 38 Ca -0.06 -0.87 -0.23 0.00 -2.02 0.00 0.00 63.50 60.31 1ckl n PRO 38 Cb 0.46 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 1ckl n PRO 38 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ckl h PRO 39 N -2.86 0.41 -2.45 0.52 0.13 -2.01 -3.51 132.00 122.23 1ckl h PRO 39 Ca -0.51 -0.69 -0.29 0.00 -0.87 0.00 0.00 66.00 63.64 1ckl h PRO 39 Cb 1.28 0.26 0.04 0.00 0.13 0.00 0.00 31.00 32.70 1ckl h PRO 39 CO 0.36 1.33 -0.13 1.28 -0.23 0.00 0.00 178.00 180.61 1ckl n LEU 40 N -3.65 -0.34 -4.77 1.56 4.77 -1.26 -4.94 117.00 108.37 1ckl n LEU 40 Ca -0.24 0.47 -0.38 0.00 -0.03 0.00 0.00 56.01 55.83 1ckl n LEU 40 Cb 1.06 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 1ckl n LEU 40 CO 0.52 -1.07 0.74 0.00 -1.33 0.00 0.00 177.39 176.25 1ckl s ALA 41 N -0.27 3.21 -0.57 -1.18 0.00 -1.26 -4.89 121.76 116.80 1ckl s ALA 41 Ca 0.30 0.74 0.05 0.00 0.00 0.00 0.00 51.96 53.05 1ckl s ALA 41 Cb -0.43 -3.28 0.35 0.00 0.00 0.00 0.00 23.12 19.76 1ckl s ALA 41 CO 0.23 -0.15 0.96 0.25 0.00 0.00 0.00 175.76 177.06 1ckl n THR 42 N 0.45 3.00 -3.85 0.00 -2.24 -1.26 -4.39 114.28 105.98 1ckl n THR 42 Ca 0.03 -5.52 -0.04 0.00 -2.27 0.00 0.00 64.05 56.25 1ckl n THR 42 Cb 0.48 -1.38 0.01 0.00 -2.10 0.00 0.00 70.33 67.34 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 -3.48 0.04 0.26 4.78 -3.43 -1.26 -2.10 115.29 110.10 1ckl s HIS 43 Ca 0.49 -0.45 -0.22 0.00 -0.80 0.00 0.00 55.06 54.08 1ckl s HIS 43 Cb 0.29 0.70 0.03 0.00 -1.43 0.00 0.00 32.58 32.17 1ckl s HIS 43 CO -0.14 -0.96 0.75 -0.08 -2.00 0.00 0.00 174.74 172.30 1ckl s THR 44 N -2.36 0.00 0.06 -5.38 -1.32 -0.48 -4.78 115.64 101.38 1ckl s THR 44 Ca 0.20 -0.94 0.01 0.00 -1.21 0.00 0.00 61.69 59.75 1ckl s THR 44 Cb -0.03 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.95 1ckl s THR 44 CO 0.05 0.00 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.78 1ckl s ILE 45 N -3.83 0.47 -0.57 5.08 1.01 -1.26 -1.68 121.20 120.42 1ckl s ILE 45 Ca 0.11 -1.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.01 1ckl s ILE 45 Cb -0.05 -1.20 0.10 0.00 0.01 0.00 0.00 42.46 41.31 1ckl s ILE 45 CO 0.06 -0.74 0.65 0.00 0.00 0.00 0.00 174.94 174.92 1ckl n ASP 47 N 6.10 0.30 -0.26 0.00 5.75 -1.08 0.21 116.55 127.58 1ckl n ASP 47 Ca -0.10 -1.23 0.25 0.00 -0.01 0.00 0.00 54.79 53.70 1ckl n ASP 47 Cb 0.42 -0.07 0.46 0.00 -1.03 0.00 0.00 41.12 40.90 1ckl n ASP 47 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ckl n ARG 48 N -1.22 -0.04 0.07 0.11 1.74 -1.26 -0.40 116.66 115.66 1ckl n ARG 48 Ca 0.03 1.05 0.13 0.00 -0.77 0.00 0.00 57.85 58.29 1ckl n ARG 48 Cb 0.09 -1.90 0.43 0.00 -1.02 0.00 0.00 32.46 30.07 1ckl n ARG 48 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ckl n ASN 49 N -4.69 0.61 -0.22 0.55 0.23 -1.26 -4.91 115.26 105.58 1ckl n ASN 49 Ca 0.29 0.50 0.00 0.00 -0.53 0.00 0.00 54.58 54.85 1ckl n ASN 49 Cb 1.01 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1ckl n ASN 49 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1ckl n HIS 50 N -2.06 0.00 -4.51 -2.53 8.25 0.46 -5.04 115.22 109.79 1ckl n HIS 50 Ca 0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 1ckl n HIS 50 Cb 0.41 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.62 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 -2.43 2.15 0.20 1.59 -4.23 -1.26 -4.32 115.64 107.34 1ckl s THR 51 Ca 0.00 -2.21 -0.09 0.00 -1.18 0.00 0.00 61.69 58.21 1ckl s THR 51 Cb 0.00 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 1ckl s THR 51 CO 0.00 -0.24 0.50 0.26 -0.54 0.00 0.00 174.62 174.60 1ckl s TRP 52 N -2.68 3.44 0.43 3.99 0.52 -1.26 -2.62 118.94 120.76 1ckl s TRP 52 Ca 0.32 0.80 -0.24 0.00 0.02 0.00 0.00 56.10 56.99 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 0.15 0.32 1.14 -0.51 0.02 0.00 0.00 176.95 178.07 1ckl s LEU 53 N -2.73 4.10 0.61 2.99 1.43 -0.60 -4.95 118.68 119.52 1ckl s LEU 53 Ca 0.45 2.25 -0.19 0.00 -1.03 0.00 0.00 54.13 55.62 1ckl s LEU 53 Cb -0.12 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 1ckl s LEU 53 CO 0.22 -0.74 1.14 -2.65 0.23 0.00 0.00 176.35 174.55 1ckl n PRO 54 N -0.21 1.09 -3.47 1.29 -0.02 -1.26 -4.67 135.00 127.76 1ckl n PRO 54 Ca 0.06 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 1ckl n PRO 54 Cb 0.48 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.43 0.00 0.04 -1.45 0.11 -1.26 -4.97 120.40 111.44 1ckl s VAL 55 Ca 0.78 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.80 1ckl s VAL 55 Cb -0.41 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1ckl s VAL 55 CO 0.45 0.00 0.02 -0.55 -3.33 0.00 0.00 175.10 171.69 1ckl s SER 56 N -2.13 0.31 0.00 3.54 0.15 -1.26 -5.04 113.70 109.27 1ckl s SER 56 Ca -0.03 -0.72 0.26 0.00 0.70 0.00 0.00 55.95 56.16 1ckl s SER 56 Cb -0.01 0.20 1.10 0.00 -1.71 0.00 0.00 66.02 65.59 1ckl s SER 56 CO -0.04 -0.51 1.82 -0.90 1.20 0.00 0.00 173.24 174.81 1ckl n ASP 57 N 0.64 0.01 0.19 5.45 5.75 -1.26 -4.12 116.55 123.21 1ckl n ASP 57 Ca -0.18 0.50 0.09 0.00 -0.01 0.00 0.00 54.79 55.19 1ckl n ASP 57 Cb 0.59 -0.50 0.49 0.00 -1.03 0.00 0.00 41.12 40.67 1ckl n ASP 57 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ckl h ASP 58 N 0.00 0.00 0.38 -1.12 3.32 -1.96 0.58 116.42 117.63 1ckl h ASP 58 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ckl h ASP 58 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1ckl h ASP 58 CO 0.00 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.48 1ckl n ALA 59 N -1.67 2.62 -2.51 3.45 0.00 -1.26 -4.70 120.51 116.44 1ckl n ALA 59 Ca -0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 53.44 52.90 1ckl n ALA 59 Cb 0.26 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.56 0.08 0.52 0.00 1.13 -0.61 -4.86 117.35 113.05 1ckl s TYR 61 Ca 0.08 -0.16 -0.01 0.00 -1.41 0.00 0.00 57.07 55.57 1ckl s TYR 61 Cb -0.11 -0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.70 1ckl s TYR 61 CO 0.01 -0.10 0.77 -0.98 -2.51 0.00 0.00 175.55 172.74 1ckl s ARG 62 N -0.64 2.83 0.14 -3.49 1.70 -1.26 0.16 118.95 118.38 1ckl s ARG 62 Ca -0.07 -0.45 -0.21 0.00 -0.47 0.00 0.00 55.73 54.53 1ckl s ARG 62 Cb -0.04 -2.45 -0.13 0.00 -0.57 0.00 0.00 34.95 31.76 1ckl s ARG 62 CO -0.00 -0.55 0.40 -1.91 -1.08 0.00 0.00 175.30 172.16 1ckl n GLU 63 N -2.32 0.00 -4.53 3.89 4.07 -1.25 -4.63 120.64 115.87 1ckl n GLU 63 Ca 0.04 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.89 1ckl n GLU 63 Cb 0.58 -0.75 -0.14 0.00 -0.06 0.00 0.00 31.44 31.07 1ckl n GLU 63 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1ckl s THR 64 N -0.69 1.68 0.69 6.31 -4.23 -1.26 -1.25 115.64 116.88 1ckl s THR 64 Ca 0.48 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.57 1ckl s THR 64 Cb -0.70 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1ckl s THR 64 CO 0.41 0.12 1.08 0.00 -0.54 0.00 0.00 174.62 175.70 1ckl s PRO 66 N -5.32 2.59 0.65 0.00 0.02 -1.26 -4.95 135.00 126.73 1ckl s PRO 66 Ca 0.57 1.45 -0.18 0.00 0.02 0.00 0.00 61.00 62.86 1ckl s PRO 66 Cb -0.11 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 1ckl s PRO 66 CO 0.52 -1.42 1.28 0.98 -0.33 0.00 0.00 177.00 178.04 1ckl n TYR 67 N -2.60 1.90 -3.87 6.54 9.36 -1.26 -5.03 117.16 122.20 1ckl n TYR 67 Ca 0.11 0.42 -0.30 0.00 3.32 0.00 0.00 57.90 61.45 1ckl n TYR 67 Cb 0.52 -2.27 -0.15 0.00 -0.63 0.00 0.00 39.34 36.81 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 -1.39 1.33 0.57 2.97 1.01 -1.26 -5.12 121.20 119.31 1ckl s ILE 68 Ca 0.82 -1.31 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 1ckl s ILE 68 Cb -0.38 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1ckl s ILE 68 CO 0.40 -0.31 1.06 0.54 0.00 0.00 0.00 174.94 176.63 1ckl n ARG 69 N 4.71 1.13 -1.68 2.79 1.74 -1.26 -4.75 116.66 119.33 1ckl n ARG 69 Ca -0.07 0.42 -0.52 0.00 -0.77 0.00 0.00 57.85 56.91 1ckl n ARG 69 Cb 0.44 -2.24 -0.06 0.00 -1.02 0.00 0.00 32.46 29.58 1ckl n ARG 69 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ckl n ASP 70 N -0.66 2.85 -4.39 0.55 8.00 -1.26 -4.55 116.55 117.08 1ckl n ASP 70 Ca 0.12 1.04 -0.43 0.00 0.71 0.00 0.00 54.79 56.23 1ckl n ASP 70 Cb 0.46 -1.27 -0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1ckl n ASP 70 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ckl n PRO 71 N 5.49 0.31 -1.53 -0.24 -0.04 -0.89 -4.54 135.00 133.56 1ckl n PRO 71 Ca 0.23 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1ckl n PRO 71 Cb 0.22 -1.26 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.77 0.71 -0.14 1.53 4.77 -1.26 -1.25 117.00 123.14 1ckl n LEU 72 Ca 0.12 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1ckl n LEU 72 Cb 0.37 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1ckl n LEU 72 CO 0.55 -2.33 0.00 0.59 -1.33 0.00 0.00 177.39 174.87 1ckl n ASN 73 N 14.59 -0.24 0.00 -1.43 4.13 -1.26 -4.13 115.26 126.92 1ckl n ASN 73 Ca 0.51 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.77 1ckl n ASN 73 Cb 0.35 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 1ckl n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckl n GLY 74 N -0.14 0.94 3.84 7.41 0.00 -0.38 -4.26 105.19 112.60 1ckl n GLY 74 Ca 0.00 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1ckl n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckl s GLN 75 N -1.90 3.71 -0.88 1.61 -1.52 -1.22 -2.11 119.66 117.35 1ckl s GLN 75 Ca 0.00 -0.01 -0.16 0.00 -1.95 0.00 0.00 55.36 53.24 1ckl s GLN 75 Cb 0.00 -3.25 0.17 0.00 -0.22 0.00 0.00 33.01 29.72 1ckl s GLN 75 CO 0.00 0.65 0.96 0.00 -0.25 0.00 0.00 175.29 176.65 1ckl s ALA 76 N -0.73 3.71 -0.25 6.09 0.00 -1.26 -2.54 121.76 126.78 1ckl s ALA 76 Ca 0.16 -3.04 -0.19 0.00 0.00 0.00 0.00 51.96 48.89 1ckl s ALA 76 Cb -0.13 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 1ckl s ALA 76 CO 0.05 -2.65 0.58 0.54 0.00 0.00 0.00 175.76 174.29 1ckl s VAL 77 N 1.48 5.02 -0.33 0.00 0.11 -1.14 -4.83 120.40 120.71 1ckl s VAL 77 Ca 0.26 1.04 -0.19 0.00 -2.93 0.00 0.00 61.98 60.15 1ckl s VAL 77 Cb -0.07 -3.89 -0.01 0.00 -1.53 0.00 0.00 36.38 30.88 1ckl s VAL 77 CO -0.09 0.06 0.58 -2.16 -3.33 0.00 0.00 175.10 170.16 1ckl s PRO 78 N 2.36 3.78 0.68 1.54 0.04 -1.26 0.52 135.00 142.66 1ckl s PRO 78 Ca 0.24 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1ckl s PRO 78 Cb -0.16 -3.76 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 1ckl s PRO 78 CO 0.09 -0.61 1.06 0.00 0.04 0.00 0.00 177.00 177.58 1ckl s ALA 79 N 2.53 2.85 -0.20 8.56 0.00 -1.13 -3.19 121.76 131.18 1ckl s ALA 79 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1ckl s ALA 79 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1ckl s ALA 79 CO 0.13 -1.05 0.00 0.09 0.00 0.00 0.00 175.76 174.93 1ckl n ASN 80 N -2.98 -5.00 -2.80 0.00 4.13 -1.26 -4.15 115.26 103.19 1ckl n ASN 80 Ca 0.07 0.05 -0.18 0.00 1.68 0.00 0.00 54.58 56.19 1ckl n ASN 80 Cb 0.55 -2.66 -0.03 0.00 -1.54 0.00 0.00 39.78 36.09 1ckl n ASN 80 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckl n GLY 81 N -0.40 -0.25 3.30 7.41 0.00 -1.19 -4.87 105.19 109.20 1ckl n GLY 81 Ca -0.02 0.03 -0.12 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 -1.97 0.06 -0.25 2.61 -1.32 -1.26 -5.02 115.64 108.49 1ckl s THR 82 Ca 0.35 -0.52 0.13 0.00 -1.21 0.00 0.00 61.69 60.44 1ckl s THR 82 Cb -0.20 -0.95 0.64 0.00 -1.51 0.00 0.00 72.50 70.48 1ckl s THR 82 CO 0.43 -0.29 1.60 -1.22 -2.21 0.00 0.00 174.62 172.93 1ckl n TYR 83 N 0.50 1.62 -2.71 9.09 4.02 -1.26 -4.76 117.16 123.66 1ckl n TYR 83 Ca -0.18 -1.05 -0.30 0.00 -0.01 0.00 0.00 57.90 56.35 1ckl n TYR 83 Cb 0.60 -0.49 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 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 -2.93 3.79 0.40 -0.72 2.02 -1.26 0.51 118.70 120.50 1ckl s GLU 84 Ca 0.49 0.56 -0.25 0.00 0.02 0.00 0.00 54.97 55.78 1ckl s GLU 84 Cb 0.39 -2.33 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 1ckl s GLU 84 CO 0.10 -0.12 1.17 -0.59 0.02 0.00 0.00 175.26 175.85 1ckl s PHE 85 N -2.48 3.06 0.00 1.61 -0.12 -0.38 -3.19 117.98 116.48 1ckl s PHE 85 Ca 0.53 1.55 0.00 0.00 -0.05 0.00 0.00 56.93 58.96 1ckl s PHE 85 Cb -0.10 -3.39 0.00 0.00 -0.63 0.00 0.00 43.02 38.89 1ckl s PHE 85 CO 0.33 -1.32 0.00 0.41 -0.05 0.00 0.00 175.22 174.59 1ckl n GLY 86 N 0.62 0.69 3.60 1.99 0.00 0.31 -4.87 105.19 107.54 1ckl n GLY 86 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 1.98 0.10 1.61 2.02 -1.07 -4.99 117.35 115.00 1ckl s TYR 87 Ca 0.00 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 55.71 1ckl s TYR 87 Cb 0.00 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1ckl s TYR 87 CO 0.00 0.07 -0.06 1.14 -1.57 0.00 0.00 175.55 175.13 1ckl s GLN 88 N -3.80 0.84 -0.07 -0.62 -2.07 -1.26 -0.35 119.66 112.33 1ckl s GLN 88 Ca 0.22 -1.34 -0.02 0.00 -1.82 0.00 0.00 55.36 52.40 1ckl s GLN 88 Cb 0.05 -0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 31.73 1ckl s GLN 88 CO 0.12 -0.02 0.03 1.41 -1.32 0.00 0.00 175.29 175.50 1ckl s MET 89 N -3.84 3.03 0.09 9.60 -2.45 -0.20 -2.83 119.30 122.71 1ckl s MET 89 Ca 0.12 -0.41 0.01 0.00 -1.25 0.00 0.00 55.69 54.16 1ckl s MET 89 Cb 0.05 -2.84 0.01 0.00 1.25 0.00 0.00 34.83 33.30 1ckl s MET 89 CO -0.04 0.70 0.05 0.72 1.05 0.00 0.00 175.02 177.49 1ckl n HIS 90 N 1.87 -0.97 -3.61 4.11 8.25 0.18 -1.09 115.22 123.97 1ckl n HIS 90 Ca -0.17 -0.42 -0.03 0.00 -0.26 0.00 0.00 57.72 56.84 1ckl n HIS 90 Cb 0.54 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 1ckl n HIS 90 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ckl s PHE 91 N -0.68 -0.93 -0.07 4.41 0.08 -1.13 -2.91 117.98 116.76 1ckl s PHE 91 Ca 0.04 1.76 0.05 0.00 0.12 0.00 0.00 56.93 58.90 1ckl s PHE 91 Cb -0.00 0.56 -0.01 0.00 -0.57 0.00 0.00 43.02 42.99 1ckl s PHE 91 CO 0.03 -0.46 -0.23 0.42 -0.10 0.00 0.00 175.22 174.88 1ckl s ILE 92 N 1.91 2.25 -0.15 0.64 -1.09 -1.05 -4.96 121.20 118.75 1ckl s ILE 92 Ca -0.08 -0.99 -0.16 0.00 -2.23 0.00 0.00 60.65 57.19 1ckl s ILE 92 Cb -0.06 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 1ckl s ILE 92 CO -0.18 0.57 0.38 0.00 -1.23 0.00 0.00 174.94 174.48 1ckl n ASN 94 N 3.74 -0.87 -4.75 0.00 3.02 -1.26 -4.79 115.26 110.34 1ckl n ASN 94 Ca -0.09 1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 55.18 1ckl n ASN 94 Cb 0.52 -0.99 -0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1ckl n ASN 94 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ckl n GLU 95 N 0.99 2.52 -0.46 3.52 -0.58 -1.26 -1.71 120.64 123.66 1ckl n GLU 95 Ca 0.17 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.80 1ckl n GLU 95 Cb 0.25 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 1ckl n GLU 95 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ckl n GLY 96 N 0.74 0.75 3.20 0.62 0.00 -1.26 -5.03 105.19 104.21 1ckl n GLY 96 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1ckl n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ckl s TYR 97 N -2.51 1.30 0.05 1.61 5.04 -0.69 -4.69 117.35 117.46 1ckl s TYR 97 Ca 0.00 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1ckl s TYR 97 Cb 0.00 -0.71 0.00 0.00 0.35 0.00 0.00 41.96 41.60 1ckl s TYR 97 CO 0.00 0.09 0.03 2.48 -1.34 0.00 0.00 175.55 176.81 1ckl n TYR 98 N 1.02 -1.24 -3.87 4.97 0.18 0.41 -4.77 117.16 113.86 1ckl n TYR 98 Ca -0.19 -0.23 -0.11 0.00 1.88 0.00 0.00 57.90 59.25 1ckl n TYR 98 Cb 0.55 -0.04 -0.11 0.00 -0.38 0.00 0.00 39.34 39.36 1ckl n TYR 98 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 1ckl s LEU 99 N 0.00 1.64 -0.11 -3.48 2.34 -1.26 -3.00 118.68 114.82 1ckl s LEU 99 Ca 0.03 -0.08 -0.05 0.00 0.06 0.00 0.00 54.13 54.09 1ckl s LEU 99 Cb -0.00 0.51 0.05 0.00 -0.56 0.00 0.00 46.19 46.19 1ckl s LEU 99 CO 0.02 -0.24 0.23 -0.63 -1.06 0.00 0.00 176.35 174.66 1ckl s ILE 100 N -0.87 -0.20 0.00 1.48 1.01 -1.20 -4.94 121.20 116.47 1ckl s ILE 100 Ca -0.10 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1ckl s ILE 100 Cb -0.06 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1ckl s ILE 100 CO 0.01 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1ckl n GLY 101 N 4.77 0.20 3.34 6.18 0.00 -1.26 -1.90 105.19 116.51 1ckl n GLY 101 Ca -0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 1.36 -0.05 1.61 0.41 -1.26 -4.95 118.70 115.83 1ckl s GLU 102 Ca 0.00 -1.22 -0.15 0.00 -0.41 0.00 0.00 54.97 53.19 1ckl s GLU 102 Cb 0.00 -1.71 -0.31 0.00 -1.78 0.00 0.00 34.13 30.33 1ckl s GLU 102 CO 0.00 0.41 0.74 1.49 -0.49 0.00 0.00 175.26 177.42 1ckl h GLU 103 N 4.16 0.38 -6.40 1.61 4.81 -1.95 -3.41 114.58 113.78 1ckl h GLU 103 Ca -0.48 -0.64 -0.62 0.00 -0.13 0.00 0.00 59.36 57.49 1ckl h GLU 103 Cb 1.17 0.24 -0.14 0.00 0.63 0.00 0.00 28.75 30.65 1ckl h GLU 103 CO 0.40 1.31 -0.74 0.42 -0.73 0.00 0.00 179.01 179.67 1ckl s ILE 104 N -2.53 2.94 -0.00 2.32 1.01 -1.26 -2.85 121.20 120.82 1ckl s ILE 104 Ca -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 60.65 58.56 1ckl s ILE 104 Cb 0.04 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 1ckl s ILE 104 CO 0.85 -0.21 0.05 -0.76 0.00 0.00 0.00 174.94 174.88 1ckl s LEU 105 N -3.06 1.86 -0.14 2.97 1.43 -0.25 -4.98 118.68 116.51 1ckl s LEU 105 Ca 0.26 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1ckl s LEU 105 Cb -0.08 0.31 -0.03 0.00 0.03 0.00 0.00 46.19 46.43 1ckl s LEU 105 CO 0.15 -0.21 -0.03 -0.31 0.23 0.00 0.00 176.35 176.17 1ckl s TYR 106 N -0.87 3.05 -0.38 0.29 1.51 -1.26 -1.03 117.35 118.66 1ckl s TYR 106 Ca -0.10 -0.18 -0.13 0.00 -1.01 0.00 0.00 57.07 55.66 1ckl s TYR 106 Cb -0.06 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1ckl s TYR 106 CO 0.00 0.08 0.24 0.00 -1.11 0.00 0.00 175.55 174.76 1ckl s GLU 108 N 1.63 1.00 0.32 0.00 2.56 -1.10 0.12 118.70 123.23 1ckl s GLU 108 Ca 0.04 -1.07 0.07 0.00 0.00 0.00 0.00 54.97 54.00 1ckl s GLU 108 Cb -0.19 0.36 -0.02 0.00 2.00 0.00 0.00 34.13 36.28 1ckl s GLU 108 CO 0.08 -0.34 0.39 -0.48 -0.56 0.00 0.00 175.26 174.36 1ckl s LEU 109 N -2.92 3.92 -0.37 2.70 2.34 -1.26 -1.61 118.68 121.48 1ckl s LEU 109 Ca 0.11 -0.23 0.00 0.00 0.06 0.00 0.00 54.13 54.07 1ckl s LEU 109 Cb 0.04 -2.61 0.12 0.00 -0.56 0.00 0.00 46.19 43.19 1ckl s LEU 109 CO -0.05 -0.34 0.19 -0.75 -1.06 0.00 0.00 176.35 174.33 1ckl s LYS 110 N -4.08 0.85 5.46 1.48 2.20 -0.65 -4.89 119.74 120.10 1ckl s LYS 110 Ca 0.42 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1ckl s LYS 110 Cb -0.08 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1ckl s LYS 110 CO 0.29 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 1ckl n GLY 111 N 4.15 1.28 2.07 5.54 0.00 -1.26 -3.40 105.19 113.57 1ckl n GLY 111 Ca 0.06 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 1ckl n GLY 111 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ckl n SER 112 N 10.35 3.57 -3.60 1.61 7.64 -1.26 -4.94 113.62 126.99 1ckl n SER 112 Ca 0.00 -3.64 -0.09 0.00 1.01 0.00 0.00 58.87 56.14 1ckl n SER 112 Cb 0.00 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.33 1ckl n SER 112 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ckl s VAL 113 N -3.31 0.00 -0.13 0.44 0.11 -1.22 -5.18 120.40 111.12 1ckl s VAL 113 Ca 0.55 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.44 1ckl s VAL 113 Cb 0.47 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1ckl s VAL 113 CO 0.09 0.00 0.41 0.00 -3.33 0.00 0.00 175.10 172.27 1ckl s ALA 114 N -0.69 3.53 0.25 1.54 0.00 -1.26 -1.63 121.76 123.49 1ckl s ALA 114 Ca 0.01 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.78 1ckl s ALA 114 Cb -0.02 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 1ckl s ALA 114 CO -0.02 0.06 -0.15 0.42 0.00 0.00 0.00 175.76 176.07 1ckl s ILE 115 N 0.48 2.02 0.16 0.00 1.01 -0.64 -4.45 121.20 119.79 1ckl s ILE 115 Ca 0.23 -2.27 -0.13 0.00 0.00 0.00 0.00 60.65 58.48 1ckl s ILE 115 Cb -0.14 -2.21 -0.07 0.00 0.01 0.00 0.00 42.46 40.05 1ckl s ILE 115 CO 0.08 -0.47 0.54 0.26 0.00 0.00 0.00 174.94 175.35 1ckl s TRP 116 N -2.79 3.55 0.56 3.97 0.52 -1.26 -2.71 118.94 120.79 1ckl s TRP 116 Ca 0.26 0.99 0.26 0.00 0.02 0.00 0.00 56.10 57.63 1ckl s TRP 116 Cb -0.02 -2.32 1.53 0.00 -1.15 0.00 0.00 33.47 31.51 1ckl s TRP 116 CO 0.11 0.39 2.08 0.77 0.02 0.00 0.00 176.95 180.32 1ckl h SER 117 N 3.30 0.00 0.00 2.95 0.02 -1.48 -3.46 113.55 114.87 1ckl h SER 117 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ckl h SER 117 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ckl h SER 117 CO 0.67 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 1ckl n GLY 118 N -1.49 2.84 3.47 -3.77 0.00 -1.26 -4.99 105.19 100.00 1ckl n GLY 118 Ca 0.03 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1ckl n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckl s LYS 119 N 4.97 1.66 0.05 1.61 -0.14 -1.26 -5.09 119.74 121.55 1ckl s LYS 119 Ca 0.00 -1.79 -0.31 0.00 -1.36 0.00 0.00 55.97 52.52 1ckl s LYS 119 Cb 0.00 -1.65 -0.06 0.00 -1.68 0.00 0.00 37.83 34.44 1ckl s LYS 119 CO 0.00 0.26 1.35 -1.25 -0.76 0.00 0.00 175.35 174.94 1ckl s PRO 120 N -3.56 4.33 0.15 -1.68 0.04 -1.26 -4.61 135.00 128.41 1ckl s PRO 120 Ca 0.30 1.95 -0.31 0.00 0.04 0.00 0.00 61.00 62.97 1ckl s PRO 120 Cb -0.02 -3.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.00 1ckl s PRO 120 CO 0.14 -0.46 1.71 -1.25 0.04 0.00 0.00 177.00 177.19 1ckl s PRO 121 N 1.66 4.16 0.36 0.56 0.04 -1.26 -4.94 135.00 135.58 1ckl s PRO 121 Ca 0.63 2.51 -0.25 0.00 0.04 0.00 0.00 61.00 63.92 1ckl s PRO 121 Cb -0.33 -3.35 -0.10 0.00 0.04 0.00 0.00 34.50 30.77 1ckl s PRO 121 CO 0.28 -0.75 0.99 0.42 0.04 0.00 0.00 177.00 177.99 1ckl s ILE 122 N 1.92 4.01 0.14 0.56 1.01 -0.80 -4.85 121.20 123.20 1ckl s ILE 122 Ca 0.76 1.57 -0.02 0.00 0.00 0.00 0.00 60.65 62.96 1ckl s ILE 122 Cb -0.46 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1ckl s ILE 122 CO 0.33 0.04 0.33 0.00 0.00 0.00 0.00 174.94 175.65 1ckl s GLU 124 N -2.90 0.70 0.26 0.00 2.56 -1.16 -4.97 118.70 113.19 1ckl s GLU 124 Ca 0.38 -0.58 0.03 0.00 0.00 0.00 0.00 54.97 54.80 1ckl s GLU 124 Cb -0.12 -0.64 0.05 0.00 2.00 0.00 0.00 34.13 35.42 1ckl s GLU 124 CO 0.27 0.16 0.36 1.17 -0.56 0.00 0.00 175.26 176.66 1ckl n LYS 125 N 2.15 0.67 0.00 4.30 3.00 -1.26 0.15 118.16 127.17 1ckl n LYS 125 Ca -0.17 -1.25 0.00 0.00 -0.00 0.00 0.00 58.31 56.89 1ckl n LYS 125 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 35.03 35.43 1ckl n LYS 125 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95