#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkf s LYS 6 N 0.00 2.91 0.28 4.33 2.20 -1.26 -4.93 119.74 123.27 1hkf s LYS 6 Ca 0.00 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 1hkf s LYS 6 Cb 0.00 -4.61 -0.13 0.00 -1.51 0.00 0.00 37.83 31.58 1hkf s LYS 6 CO 0.00 -2.63 1.32 0.00 -0.36 0.00 0.00 175.35 173.69 1hkf n ALA 7 N 11.49 1.03 -2.48 3.13 0.00 -1.26 -4.91 120.51 127.52 1hkf n ALA 7 Ca 0.21 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.66 1hkf n ALA 7 Cb 0.50 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1hkf n ALA 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1hkf s GLN 8 N -1.06 4.33 -0.19 0.00 -0.21 -0.75 -4.73 119.66 117.04 1hkf s GLN 8 Ca 0.63 0.76 -0.24 0.00 0.02 0.00 0.00 55.36 56.52 1hkf s GLN 8 Cb -0.63 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.03 1hkf s GLN 8 CO 0.55 0.36 0.79 0.08 -2.12 0.00 0.00 175.29 174.96 1hkf s VAL 9 N -0.19 4.90 -0.06 1.09 1.01 -1.26 0.54 120.40 126.43 1hkf s VAL 9 Ca 0.32 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1hkf s VAL 9 Cb -0.18 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1hkf s VAL 9 CO 0.18 0.02 -0.14 -0.76 0.00 0.00 0.00 175.10 174.40 1hkf s LEU 10 N 2.24 2.76 -0.02 3.92 1.43 0.36 -4.91 118.68 124.46 1hkf s LEU 10 Ca 0.36 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1hkf s LEU 10 Cb -0.16 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1hkf s LEU 10 CO 0.11 0.32 -0.01 -1.58 0.23 0.00 0.00 176.35 175.42 1hkf s GLN 11 N -0.58 0.21 0.00 1.70 0.74 -1.26 -0.19 119.66 120.29 1hkf s GLN 11 Ca 0.08 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.51 1hkf s GLN 11 Cb -0.11 -0.32 0.00 0.00 1.10 0.00 0.00 33.01 33.68 1hkf s GLN 11 CO 0.01 -0.06 0.00 0.45 -0.55 0.00 0.00 175.29 175.15 1hkf n SER 12 N 3.65 0.00 -4.29 6.67 2.88 -0.21 -4.97 113.62 117.35 1hkf n SER 12 Ca -0.21 -0.68 -0.19 0.00 -1.33 0.00 0.00 58.87 56.47 1hkf n SER 12 Cb 0.54 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 1hkf n SER 12 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1hkf s VAL 13 N -2.38 1.52 0.41 2.46 -7.23 -1.26 -1.98 120.40 111.94 1hkf s VAL 13 Ca 0.00 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.02 1hkf s VAL 13 Cb 0.00 -1.75 -0.11 0.00 0.56 0.00 0.00 36.38 35.08 1hkf s VAL 13 CO 0.00 -0.46 1.00 0.00 -0.31 0.00 0.00 175.10 175.33 1hkf n ALA 14 N 0.20 0.14 0.00 1.32 0.00 -0.79 -1.42 120.51 119.96 1hkf n ALA 14 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1hkf n ALA 14 Cb 0.58 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1hkf n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hkf n GLY 15 N 1.19 2.78 3.66 0.00 0.00 0.11 -4.91 105.19 108.02 1hkf n GLY 15 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1hkf n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hkf s GLN 16 N -0.03 -0.37 -0.10 1.61 -1.52 -0.51 -4.12 119.66 114.61 1hkf s GLN 16 Ca 0.00 0.12 0.01 0.00 -1.95 0.00 0.00 55.36 53.53 1hkf s GLN 16 Cb 0.00 -1.68 -0.02 0.00 -0.22 0.00 0.00 33.01 31.09 1hkf s GLN 16 CO 0.00 -3.18 -0.12 0.99 -0.25 0.00 0.00 175.29 172.72 1hkf s THR 17 N -3.08 3.19 -0.12 -0.19 2.01 -1.26 -0.78 115.64 115.39 1hkf s THR 17 Ca 0.69 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 1hkf s THR 17 Cb -0.13 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1hkf s THR 17 CO 0.56 0.55 0.02 -0.22 -0.69 0.00 0.00 174.62 174.83 1hkf s LEU 18 N -0.05 3.63 -0.13 4.42 2.96 0.14 -4.95 118.68 124.70 1hkf s LEU 18 Ca -0.02 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1hkf s LEU 18 Cb -0.14 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1hkf s LEU 18 CO 0.04 0.29 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.30 1hkf s THR 19 N -0.35 2.58 -0.11 3.68 2.01 -1.26 -0.08 115.64 122.11 1hkf s THR 19 Ca 0.08 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1hkf s THR 19 Cb -0.12 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1hkf s THR 19 CO 0.02 0.53 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1hkf s VAL 20 N 0.55 1.21 -0.15 3.82 1.01 0.76 -4.97 120.40 122.63 1hkf s VAL 20 Ca -0.11 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1hkf s VAL 20 Cb -0.16 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1hkf s VAL 20 CO 0.04 0.39 0.12 -0.13 0.00 0.00 0.00 175.10 175.52 1hkf s ARG 21 N 1.44 3.75 -0.16 2.72 0.52 -1.26 0.11 118.95 126.07 1hkf s ARG 21 Ca 0.01 -0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.01 1hkf s ARG 21 Cb -0.13 -3.25 0.04 0.00 0.52 0.00 0.00 34.95 32.13 1hkf s ARG 21 CO -0.06 0.54 -0.05 0.00 0.02 0.00 0.00 175.30 175.75 1hkf s GLN 23 N 1.67 2.74 -0.05 0.00 -2.07 -1.26 -1.70 119.66 118.99 1hkf s GLN 23 Ca 0.01 -0.56 -0.30 0.00 -1.82 0.00 0.00 55.36 52.70 1hkf s GLN 23 Cb -0.15 -2.47 0.09 0.00 -1.09 0.00 0.00 33.01 29.39 1hkf s GLN 23 CO -0.08 -0.59 0.78 1.52 -1.32 0.00 0.00 175.29 175.60 1hkf s TYR 24 N -2.75 -0.54 0.63 9.60 -0.85 -0.37 -4.94 117.35 118.13 1hkf s TYR 24 Ca 0.54 0.82 -0.12 0.00 -0.52 0.00 0.00 57.07 57.78 1hkf s TYR 24 Cb -0.10 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.66 1hkf s TYR 24 CO 0.39 -0.56 1.04 -1.25 -1.52 0.00 0.00 175.55 173.65 1hkf s PRO 25 N -1.64 3.41 0.32 -3.49 0.04 -1.26 -4.69 135.00 127.68 1hkf s PRO 25 Ca -0.06 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.58 1hkf s PRO 25 Cb -0.00 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 1hkf s PRO 25 CO 0.03 -0.72 1.47 -2.14 0.04 0.00 0.00 177.00 175.67 1hkf s PRO 26 N -4.89 4.20 -0.25 0.56 0.02 -1.26 -4.98 135.00 128.40 1hkf s PRO 26 Ca 0.57 2.44 0.11 0.00 0.02 0.00 0.00 61.00 64.14 1hkf s PRO 26 Cb -0.12 -3.03 0.45 0.00 0.02 0.00 0.00 34.50 31.82 1hkf s PRO 26 CO 0.50 -0.46 1.19 0.25 -0.33 0.00 0.00 177.00 178.14 1hkf n THR 27 N 1.36 2.18 -2.11 0.99 -2.24 -1.26 -5.11 114.28 108.09 1hkf n THR 27 Ca 0.04 -3.66 0.00 0.00 -2.27 0.00 0.00 64.05 58.16 1hkf n THR 27 Cb 0.40 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1hkf n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hkf n GLY 28 N -0.74 2.98 0.14 3.38 0.00 -1.26 -2.12 105.19 107.57 1hkf n GLY 28 Ca 0.31 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1hkf n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hkf n SER 29 N 3.57 0.48 -4.78 1.61 3.41 -1.26 -4.87 113.62 111.79 1hkf n SER 29 Ca 0.00 -0.86 -0.39 0.00 -0.26 0.00 0.00 58.87 57.36 1hkf n SER 29 Cb 0.00 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 1hkf n SER 29 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hkf s LEU 30 N -2.23 4.48 -0.21 1.04 1.43 -0.90 -5.07 118.68 117.22 1hkf s LEU 30 Ca 0.37 1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 54.72 1hkf s LEU 30 Cb 0.21 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1hkf s LEU 30 CO 0.41 0.16 0.02 -0.47 0.23 0.00 0.00 176.35 176.70 1hkf s TYR 31 N -0.60 3.06 -0.26 0.29 6.14 -1.26 -4.71 117.35 120.02 1hkf s TYR 31 Ca 0.32 -0.43 -0.15 0.00 0.64 0.00 0.00 57.07 57.46 1hkf s TYR 31 Cb -0.20 -2.12 -0.04 0.00 0.42 0.00 0.00 41.96 40.02 1hkf s TYR 31 CO 0.20 -0.25 0.36 -1.21 0.64 0.00 0.00 175.55 175.29 1hkf s GLU 32 N 1.13 4.04 0.54 4.97 2.02 -1.26 -4.56 118.70 125.58 1hkf s GLU 32 Ca 0.03 0.04 -0.22 0.00 0.02 0.00 0.00 54.97 54.84 1hkf s GLU 32 Cb -0.14 -3.63 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 1hkf s GLU 32 CO 0.02 -0.21 1.36 0.15 0.02 0.00 0.00 175.26 176.60 1hkf s LYS 33 N 1.87 3.19 -0.04 1.61 1.02 -1.15 -4.74 119.74 121.51 1hkf s LYS 33 Ca 0.15 2.24 0.04 0.00 0.02 0.00 0.00 55.97 58.42 1hkf s LYS 33 Cb -0.15 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1hkf s LYS 33 CO 0.09 -1.15 -0.14 0.15 -0.92 0.00 0.00 175.35 173.38 1hkf s LYS 34 N -2.87 2.46 0.05 1.68 -0.14 -0.70 -1.42 119.74 118.81 1hkf s LYS 34 Ca 0.71 -0.72 -0.02 0.00 -1.36 0.00 0.00 55.97 54.57 1hkf s LYS 34 Cb -0.40 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1hkf s LYS 34 CO 0.48 0.62 0.00 0.20 -0.76 0.00 0.00 175.35 175.89 1hkf s GLY 35 N -0.81 0.40 -0.07 -3.33 0.00 0.67 -0.29 107.32 103.89 1hkf s GLY 35 Ca 0.12 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1hkf s GLY 35 CO 0.01 -1.21 -0.08 0.86 0.00 0.00 0.00 173.10 172.68 1hkf s TRP 36 N -3.78 1.17 0.07 1.90 -0.11 -0.52 -0.24 118.94 117.44 1hkf s TRP 36 Ca 0.05 -0.43 -0.05 0.00 1.22 0.00 0.00 56.10 56.89 1hkf s TRP 36 Cb 0.07 -0.94 -0.02 0.00 -1.50 0.00 0.00 33.47 31.08 1hkf s TRP 36 CO -0.10 -0.29 0.09 0.00 -4.62 0.00 0.00 176.95 172.03 1hkf s LYS 38 N -3.81 3.69 0.12 0.00 2.20 -0.37 -1.42 119.74 120.16 1hkf s LYS 38 Ca 0.05 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 1hkf s LYS 38 Cb 0.06 -2.98 -0.09 0.00 -1.51 0.00 0.00 37.83 33.31 1hkf s LYS 38 CO -0.10 0.29 1.58 -1.21 -0.36 0.00 0.00 175.35 175.55 1hkf s GLU 39 N 0.25 4.22 -0.11 4.03 2.02 0.48 -1.49 118.70 128.10 1hkf s GLU 39 Ca -0.01 2.31 0.14 0.00 0.02 0.00 0.00 54.97 57.44 1hkf s GLU 39 Cb -0.13 -3.32 -0.21 0.00 0.10 0.00 0.00 34.13 30.57 1hkf s GLU 39 CO 0.02 -0.63 0.15 0.00 0.02 0.00 0.00 175.26 174.82 1hkf n ALA 40 N 4.54 1.94 -3.66 5.21 0.00 0.11 -4.71 120.51 123.95 1hkf n ALA 40 Ca 0.14 -0.81 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 1hkf n ALA 40 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1hkf n ALA 40 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hkf s SER 41 N -4.56 0.07 0.18 0.00 1.04 -0.99 -4.96 113.70 104.49 1hkf s SER 41 Ca -0.07 -1.07 0.19 0.00 0.48 0.00 0.00 55.95 55.48 1hkf s SER 41 Cb 0.06 0.79 0.84 0.00 0.10 0.00 0.00 66.02 67.81 1hkf s SER 41 CO 0.64 -1.54 1.58 0.00 0.98 0.00 0.00 173.24 174.90 1hkf n ALA 42 N -0.51 1.49 -1.52 5.32 0.00 -1.26 -2.63 120.51 121.40 1hkf n ALA 42 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1hkf n ALA 42 Cb 0.60 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.80 1hkf n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hkf n LEU 43 N -2.00 0.99 -3.75 0.00 4.77 -1.26 -5.01 117.00 110.74 1hkf n LEU 43 Ca 0.02 -1.81 -0.21 0.00 -0.03 0.00 0.00 56.01 53.97 1hkf n LEU 43 Cb 0.16 -0.17 -0.18 0.00 -2.33 0.00 0.00 43.42 40.91 1hkf n LEU 43 CO 0.15 0.43 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.57 1hkf s VAL 44 N -1.16 0.23 -0.23 4.08 1.01 -1.08 -5.09 120.40 118.16 1hkf s VAL 44 Ca 0.13 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1hkf s VAL 44 Cb 0.11 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 36.15 1hkf s VAL 44 CO 0.01 0.23 -0.04 0.00 0.00 0.00 0.00 175.10 175.30 1hkf s ILE 46 N 1.48 4.32 0.04 0.00 1.01 -0.55 -4.76 121.20 122.73 1hkf s ILE 46 Ca -0.05 1.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.92 1hkf s ILE 46 Cb -0.18 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 1hkf s ILE 46 CO -0.07 -0.05 1.48 -0.60 0.00 0.00 0.00 174.94 175.71 1hkf s ARG 47 N 2.60 4.26 -0.22 2.79 6.06 -1.26 -1.24 118.95 131.93 1hkf s ARG 47 Ca 0.54 2.10 0.06 0.00 -2.50 0.00 0.00 55.73 55.93 1hkf s ARG 47 Cb -0.23 -3.52 -0.18 0.00 0.06 0.00 0.00 34.95 31.08 1hkf s ARG 47 CO 0.19 -0.60 -0.14 1.28 -2.50 0.00 0.00 175.30 173.53 1hkf n LEU 48 N 5.20 2.17 -3.53 -0.88 4.77 0.19 -4.96 117.00 119.97 1hkf n LEU 48 Ca 0.14 -0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 1hkf n LEU 48 Cb 0.42 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1hkf n LEU 48 CO 0.60 0.78 0.44 0.54 -1.33 0.00 0.00 177.39 178.43 1hkf s VAL 49 N -2.47 0.00 -0.01 4.08 0.11 -1.18 -4.94 120.40 115.99 1hkf s VAL 49 Ca -0.26 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1hkf s VAL 49 Cb 0.08 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1hkf s VAL 49 CO 0.61 0.00 0.03 -0.89 -3.33 0.00 0.00 175.10 171.52 1hkf s THR 50 N -1.04 -0.01 -0.35 5.04 2.01 -1.26 -1.44 115.64 118.59 1hkf s THR 50 Ca -0.10 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 1hkf s THR 50 Cb -0.00 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.44 1hkf s THR 50 CO 0.09 0.02 0.23 -0.55 -0.69 0.00 0.00 174.62 173.72 1hkf s SER 51 N 0.26 5.95 0.09 3.53 0.15 0.60 -4.89 113.70 119.39 1hkf s SER 51 Ca -0.02 -0.55 0.22 0.00 0.70 0.00 0.00 55.95 56.30 1hkf s SER 51 Cb -0.03 -2.11 -0.16 0.00 -1.71 0.00 0.00 66.02 62.01 1hkf s SER 51 CO -0.01 -0.27 0.77 -1.20 1.20 0.00 0.00 173.24 173.73 1hkf n SER 52 N 5.08 0.44 -3.97 5.45 7.64 -1.26 -1.72 113.62 125.27 1hkf n SER 52 Ca -0.13 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 1hkf n SER 52 Cb 0.49 1.20 -0.11 0.00 -1.01 0.00 0.00 64.21 64.78 1hkf n SER 52 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1hkf s LYS 53 N -3.44 0.33 0.53 1.43 1.02 -1.26 -4.84 119.74 113.52 1hkf s LYS 53 Ca -0.04 -0.61 -0.21 0.00 0.02 0.00 0.00 55.97 55.13 1hkf s LYS 53 Cb 0.12 0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.50 1hkf s LYS 53 CO 0.85 -0.06 1.26 -1.25 -0.92 0.00 0.00 175.35 175.23 1hkf s PRO 54 N -1.51 3.28 -1.42 -1.68 0.04 -1.26 -3.64 135.00 128.81 1hkf s PRO 54 Ca -0.15 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 1hkf s PRO 54 Cb -0.09 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1hkf s PRO 54 CO -0.01 -1.00 0.41 0.54 0.04 0.00 0.00 177.00 176.98 1hkf n ARG 55 N -1.02 -3.23 -4.25 4.56 1.74 0.17 -4.97 116.66 109.67 1hkf n ARG 55 Ca 0.10 0.39 -0.30 0.00 -0.77 0.00 0.00 57.85 57.28 1hkf n ARG 55 Cb 0.47 -4.51 -0.10 0.00 -1.02 0.00 0.00 32.46 27.30 1hkf n ARG 55 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1hkf s THR 56 N -3.96 3.43 -1.40 0.55 -4.23 -1.24 -5.01 115.64 103.78 1hkf s THR 56 Ca 0.02 -1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 59.20 1hkf s THR 56 Cb -0.01 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.32 1hkf s THR 56 CO 0.89 0.14 2.12 0.23 -0.54 0.00 0.00 174.62 177.46 1hkf n MET 57 N 0.77 3.15 -1.82 3.99 2.81 -1.26 -4.60 117.12 120.15 1hkf n MET 57 Ca -0.13 -2.93 -0.27 0.00 -1.81 0.00 0.00 57.70 52.56 1hkf n MET 57 Cb 0.52 -3.15 -0.05 0.00 -0.71 0.00 0.00 33.22 29.83 1hkf n MET 57 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hkf s ALA 58 N 2.16 1.47 0.07 3.04 0.00 -1.24 -4.94 121.76 122.31 1hkf s ALA 58 Ca 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1hkf s ALA 58 Cb 0.13 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.77 1hkf s ALA 58 CO -0.06 -4.90 0.00 1.87 0.00 0.00 0.00 175.76 172.68 1hkf n TRP 59 N 15.46 0.00 -0.18 0.00 -0.00 -1.26 -2.24 117.44 129.21 1hkf n TRP 59 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.87 1hkf n TRP 59 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.79 1hkf n TRP 59 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1hkf n THR 60 N 0.00 -0.12 -3.94 5.87 -2.24 -1.25 -4.46 114.28 108.14 1hkf n THR 60 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hkf n THR 60 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1hkf n THR 60 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1hkf n SER 61 N -0.14 0.00 0.09 3.42 2.88 -1.26 -3.02 113.62 115.59 1hkf n SER 61 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1hkf n SER 61 Cb 0.06 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 63.90 1hkf n SER 61 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1hkf n ARG 62 N 13.37 0.10 -4.48 -1.46 1.74 -1.26 -4.71 116.66 119.95 1hkf n ARG 62 Ca 0.00 0.52 -0.34 0.00 -0.77 0.00 0.00 57.85 57.26 1hkf n ARG 62 Cb 0.00 -1.77 -0.11 0.00 -1.02 0.00 0.00 32.46 29.56 1hkf n ARG 62 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1hkf s PHE 63 N -3.29 3.02 0.14 -1.55 0.08 -1.17 -1.35 117.98 113.86 1hkf s PHE 63 Ca 0.01 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 56.92 1hkf s PHE 63 Cb 0.05 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1hkf s PHE 63 CO 0.19 0.21 0.18 0.95 -0.10 0.00 0.00 175.22 176.65 1hkf s THR 64 N -0.34 0.09 -0.00 0.64 -4.23 -0.48 -3.77 115.64 107.55 1hkf s THR 64 Ca 0.06 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1hkf s THR 64 Cb -0.12 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 1hkf s THR 64 CO 0.02 -0.41 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.01 1hkf s ILE 65 N -3.99 0.42 -0.16 2.99 1.01 -0.95 -1.15 121.20 119.38 1hkf s ILE 65 Ca 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1hkf s ILE 65 Cb 0.05 -0.36 0.02 0.00 0.01 0.00 0.00 42.46 42.18 1hkf s ILE 65 CO -0.00 0.11 -0.17 0.86 0.00 0.00 0.00 174.94 175.74 1hkf s TRP 66 N -0.14 2.41 -0.10 3.97 -0.11 -0.37 -3.67 118.94 120.93 1hkf s TRP 66 Ca 0.02 -1.36 0.03 0.00 1.22 0.00 0.00 56.10 56.01 1hkf s TRP 66 Cb -0.02 -1.72 0.01 0.00 -1.50 0.00 0.00 33.47 30.24 1hkf s TRP 66 CO -0.00 -0.70 -0.20 0.34 -4.62 0.00 0.00 176.95 171.77 1hkf s ASP 67 N 1.31 2.74 -0.24 5.86 2.15 -1.26 -0.84 116.67 126.39 1hkf s ASP 67 Ca 0.03 -0.50 -0.03 0.00 0.43 0.00 0.00 52.55 52.49 1hkf s ASP 67 Cb -0.13 -1.26 0.08 0.00 -0.30 0.00 0.00 42.92 41.31 1hkf s ASP 67 CO -0.10 0.10 0.07 -0.62 -0.17 0.00 0.00 175.17 174.45 1hkf s ASP 68 N 0.59 3.30 0.45 -0.34 2.15 -1.19 0.46 116.67 122.10 1hkf s ASP 68 Ca -0.14 -1.12 0.17 0.00 0.43 0.00 0.00 52.55 51.90 1hkf s ASP 68 Cb -0.17 -0.62 1.12 0.00 -0.30 0.00 0.00 42.92 42.96 1hkf s ASP 68 CO 0.04 -0.36 1.96 -0.65 -0.17 0.00 0.00 175.17 175.99 1hkf h PRO 69 N 8.23 0.31 0.00 4.34 0.11 -1.97 0.16 132.00 143.18 1hkf h PRO 69 Ca -0.16 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1hkf h PRO 69 Cb 1.07 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1hkf h PRO 69 CO 0.39 0.20 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.83 1hkf h ASP 70 N 0.32 0.00 0.87 -2.05 3.32 -1.94 -2.20 116.42 114.73 1hkf h ASP 70 Ca 0.31 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 1hkf h ASP 70 Cb 0.78 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1hkf h ASP 70 CO -0.08 0.11 -1.20 0.00 -1.72 0.00 0.00 179.24 176.36 1hkf h ALA 71 N 1.89 0.61 0.00 3.45 0.00 -1.12 -3.49 119.26 120.60 1hkf h ALA 71 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1hkf h ALA 71 Cb 0.28 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1hkf h ALA 71 CO 0.01 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1hkf n GLY 72 N 1.31 0.64 3.50 0.00 0.00 -0.83 -5.04 105.19 104.77 1hkf n GLY 72 Ca -0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1hkf n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hkf s PHE 73 N -2.00 -0.39 0.26 1.61 -0.71 -1.25 -1.24 117.98 114.25 1hkf s PHE 73 Ca 0.00 0.21 0.11 0.00 -1.04 0.00 0.00 56.93 56.22 1hkf s PHE 73 Cb 0.00 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.32 1hkf s PHE 73 CO 0.00 -0.68 -0.19 -0.59 -1.34 0.00 0.00 175.22 172.41 1hkf s PHE 74 N -3.36 2.17 -0.10 3.49 -0.71 -0.69 -3.17 117.98 115.61 1hkf s PHE 74 Ca 0.04 -0.38 0.01 0.00 -1.04 0.00 0.00 56.93 55.56 1hkf s PHE 74 Cb -0.01 -0.96 0.02 0.00 -1.21 0.00 0.00 43.02 40.85 1hkf s PHE 74 CO -0.09 0.62 -0.13 0.99 -1.34 0.00 0.00 175.22 175.27 1hkf s THR 75 N -2.51 1.37 -0.05 -4.49 2.01 -0.02 -1.42 115.64 110.52 1hkf s THR 75 Ca 0.27 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.59 1hkf s THR 75 Cb -0.04 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1hkf s THR 75 CO 0.13 0.42 0.33 -0.69 -0.69 0.00 0.00 174.62 174.12 1hkf s VAL 76 N 1.08 5.18 -0.09 3.82 1.01 0.12 -1.24 120.40 130.28 1hkf s VAL 76 Ca -0.05 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1hkf s VAL 76 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1hkf s VAL 76 CO -0.02 0.55 -0.19 -0.89 0.00 0.00 0.00 175.10 174.55 1hkf s THR 77 N -0.80 1.67 -0.20 3.92 2.01 -0.30 -0.17 115.64 121.77 1hkf s THR 77 Ca 0.21 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1hkf s THR 77 Cb -0.15 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 70.91 1hkf s THR 77 CO 0.10 0.47 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.29 1hkf s MET 78 N 0.57 2.81 0.26 4.92 -1.94 0.89 -1.39 119.30 125.41 1hkf s MET 78 Ca -0.15 -0.96 0.06 0.00 -1.71 0.00 0.00 55.69 52.93 1hkf s MET 78 Cb -0.17 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1hkf s MET 78 CO 0.05 -0.30 0.28 0.95 -0.01 0.00 0.00 175.02 175.98 1hkf s THR 79 N 1.25 4.66 -1.24 2.05 -4.23 -0.46 0.28 115.64 117.95 1hkf s THR 79 Ca 0.01 -1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1hkf s THR 79 Cb -0.15 -3.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1hkf s THR 79 CO -0.11 -0.32 0.79 -0.67 -0.54 0.00 0.00 174.62 173.77 1hkf n ASP 80 N -1.30 -2.45 -4.70 3.99 2.03 -1.06 -4.86 116.55 108.21 1hkf n ASP 80 Ca -0.07 -0.80 -0.42 0.00 0.52 0.00 0.00 54.79 54.02 1hkf n ASP 80 Cb 0.58 -4.30 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 1hkf n ASP 80 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1hkf n LEU 81 N -4.11 3.80 -4.37 -2.67 4.77 0.04 -4.60 117.00 109.86 1hkf n LEU 81 Ca -0.25 1.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.66 1hkf n LEU 81 Cb 0.66 -1.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.14 1hkf n LEU 81 CO 0.66 -0.55 -0.49 -0.13 -1.33 0.00 0.00 177.39 175.54 1hkf s ARG 82 N -2.04 1.38 0.33 3.23 3.00 -1.26 0.05 118.95 123.63 1hkf s ARG 82 Ca 0.58 -1.49 0.10 0.00 0.00 0.00 0.00 55.73 54.92 1hkf s ARG 82 Cb -0.54 -1.47 0.88 0.00 0.00 0.00 0.00 34.95 33.82 1hkf s ARG 82 CO 0.60 0.30 1.75 1.49 0.00 0.00 0.00 175.30 179.44 1hkf h GLU 83 N 3.08 0.59 0.00 3.54 4.81 -1.91 0.16 114.58 124.84 1hkf h GLU 83 Ca -0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1hkf h GLU 83 Cb 1.21 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1hkf h GLU 83 CO 0.52 0.39 0.00 0.39 -0.73 0.00 0.00 179.01 179.58 1hkf n GLU 84 N -4.81 0.03 0.01 1.92 4.71 -1.26 -1.70 120.64 119.54 1hkf n GLU 84 Ca 0.26 0.34 0.14 0.00 -0.01 0.00 0.00 57.16 57.88 1hkf n GLU 84 Cb 0.72 -1.56 0.59 0.00 -1.01 0.00 0.00 31.44 30.17 1hkf n GLU 84 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1hkf n ASP 85 N -1.62 0.11 -4.76 1.62 8.00 0.57 -4.86 116.55 115.61 1hkf n ASP 85 Ca 0.02 0.51 -0.39 0.00 0.71 0.00 0.00 54.79 55.64 1hkf n ASP 85 Cb 0.13 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1hkf n ASP 85 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1hkf s SER 86 N -3.20 5.64 0.00 -2.24 0.01 -0.69 -4.86 113.70 108.36 1hkf s SER 86 Ca 0.13 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.30 1hkf s SER 86 Cb 0.18 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1hkf s SER 86 CO 0.54 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1hkf n GLY 87 N 0.62 -0.03 3.85 3.44 0.00 0.43 -4.97 105.19 108.53 1hkf n GLY 87 Ca 0.07 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 1hkf n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hkf s HIS 88 N -2.14 3.68 0.11 1.61 3.76 -1.26 0.22 115.29 121.27 1hkf s HIS 88 Ca 0.00 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 1hkf s HIS 88 Cb 0.00 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1hkf s HIS 88 CO 0.00 0.66 -0.02 0.71 -0.85 0.00 0.00 174.74 175.25 1hkf s TYR 89 N -1.01 0.85 -0.00 1.40 1.51 0.21 -0.39 117.35 119.93 1hkf s TYR 89 Ca 0.21 -1.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 1hkf s TYR 89 Cb -0.15 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1hkf s TYR 89 CO 0.10 -0.31 -0.01 -1.58 -1.11 0.00 0.00 175.55 172.65 1hkf s TRP 90 N -3.80 0.10 -0.20 2.71 0.52 -0.50 0.32 118.94 118.09 1hkf s TRP 90 Ca 0.16 -0.01 -0.11 0.00 0.02 0.00 0.00 56.10 56.16 1hkf s TRP 90 Cb 0.07 -0.08 -0.05 0.00 -1.15 0.00 0.00 33.47 32.25 1hkf s TRP 90 CO -0.03 -0.01 0.19 0.00 0.02 0.00 0.00 176.95 177.12 1hkf s ARG 92 N 0.56 1.29 -0.12 0.00 0.52 0.67 -1.96 118.95 119.92 1hkf s ARG 92 Ca 0.11 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1hkf s ARG 92 Cb -0.12 -1.62 0.02 0.00 0.52 0.00 0.00 34.95 33.75 1hkf s ARG 92 CO 0.01 0.37 -0.11 0.42 0.02 0.00 0.00 175.30 176.01 1hkf s ILE 93 N -1.32 1.28 -0.13 1.52 1.01 -0.67 -0.24 121.20 122.65 1hkf s ILE 93 Ca 0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1hkf s ILE 93 Cb -0.09 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1hkf s ILE 93 CO 0.06 0.41 0.01 -0.31 0.00 0.00 0.00 174.94 175.11 1hkf s TYR 94 N 1.43 3.16 0.38 3.97 2.02 -0.51 -1.08 117.35 126.72 1hkf s TYR 94 Ca 0.01 0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.51 1hkf s TYR 94 Cb -0.13 -1.92 -0.09 0.00 -0.40 0.00 0.00 41.96 39.42 1hkf s TYR 94 CO -0.07 0.26 1.01 1.03 -1.57 0.00 0.00 175.55 176.21 1hkf s ARG 95 N -0.22 4.30 0.07 -0.62 0.52 0.28 -2.91 118.95 120.36 1hkf s ARG 95 Ca 0.06 1.44 -0.36 0.00 -0.52 0.00 0.00 55.73 56.35 1hkf s ARG 95 Cb -0.12 -2.60 -0.20 0.00 0.52 0.00 0.00 34.95 32.55 1hkf s ARG 95 CO 0.02 -0.01 1.59 -1.35 0.02 0.00 0.00 175.30 175.58 1hkf h PRO 96 N 2.67 -1.11 -0.98 3.54 0.11 -1.91 0.14 132.00 134.46 1hkf h PRO 96 Ca -0.48 0.08 0.23 0.00 0.11 0.00 0.00 66.00 65.94 1hkf h PRO 96 Cb 1.21 0.25 -0.19 0.00 0.11 0.00 0.00 31.00 32.38 1hkf h PRO 96 CO 0.63 -0.74 -0.13 -1.13 -0.21 0.00 0.00 178.00 176.42 1hkf n SER 97 N -5.59 -0.25 -0.02 -2.05 3.41 -1.26 -3.84 113.62 104.02 1hkf n SER 97 Ca -0.15 1.68 0.00 0.00 -0.26 0.00 0.00 58.87 60.14 1hkf n SER 97 Cb 0.46 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1hkf n SER 97 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1hkf n ASP 98 N -5.54 0.00 -1.10 4.04 5.75 -1.21 -5.00 116.55 113.48 1hkf n ASP 98 Ca 0.19 -1.03 -0.13 0.00 -0.01 0.00 0.00 54.79 53.81 1hkf n ASP 98 Cb 0.61 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.65 1hkf n ASP 98 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1hkf n ASN 99 N 0.00 -4.35 -4.87 -1.12 5.15 0.48 -4.97 115.26 105.58 1hkf n ASN 99 Ca 0.00 0.22 -0.30 0.00 -0.60 0.00 0.00 54.58 53.89 1hkf n ASN 99 Cb 0.51 -3.13 -0.02 0.00 -0.53 0.00 0.00 39.78 36.60 1hkf n ASN 99 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1hkf s SER 100 N -2.74 6.47 -0.25 1.20 1.04 -1.26 -4.62 113.70 113.55 1hkf s SER 100 Ca 0.00 1.25 -0.21 0.00 0.48 0.00 0.00 55.95 57.47 1hkf s SER 100 Cb 0.00 -2.38 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 1hkf s SER 100 CO 0.00 -0.54 0.66 -0.69 0.98 0.00 0.00 173.24 173.65 1hkf s VAL 101 N -2.60 4.97 -0.36 5.02 1.01 -1.26 -0.56 120.40 126.62 1hkf s VAL 101 Ca 0.53 1.20 0.23 0.00 0.00 0.00 0.00 61.98 63.94 1hkf s VAL 101 Cb -0.10 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1hkf s VAL 101 CO 0.36 0.02 0.97 -1.54 0.00 0.00 0.00 175.10 174.91 1hkf n SER 102 N 5.67 0.61 -3.62 3.32 3.41 -0.24 -4.92 113.62 117.85 1hkf n SER 102 Ca 0.00 0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 1hkf n SER 102 Cb 0.49 0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 65.17 1hkf n SER 102 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1hkf s LYS 103 N -3.32 0.75 -0.15 4.33 2.20 -1.24 -5.03 119.74 117.28 1hkf s LYS 103 Ca 0.00 0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 56.19 1hkf s LYS 103 Cb 0.12 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.86 1hkf s LYS 103 CO 0.81 -0.12 0.51 -1.54 -0.36 0.00 0.00 175.35 174.66 1hkf s SER 104 N 0.11 -0.51 -0.06 1.43 1.04 -1.26 -1.67 113.70 112.78 1hkf s SER 104 Ca -0.00 0.88 0.02 0.00 0.48 0.00 0.00 55.95 57.33 1hkf s SER 104 Cb -0.04 0.90 0.01 0.00 0.10 0.00 0.00 66.02 66.99 1hkf s SER 104 CO -0.00 -0.27 -0.12 -0.69 0.98 0.00 0.00 173.24 173.14 1hkf s VAL 105 N -0.11 1.10 -0.04 5.02 1.01 -0.83 -4.98 120.40 121.56 1hkf s VAL 105 Ca -0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1hkf s VAL 105 Cb -0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1hkf s VAL 105 CO 0.02 0.34 0.31 -0.60 0.00 0.00 0.00 175.10 175.18 1hkf s ARG 106 N 0.58 3.74 0.07 2.72 3.52 -1.26 -1.82 118.95 126.51 1hkf s ARG 106 Ca -0.13 0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1hkf s ARG 106 Cb -0.15 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1hkf s ARG 106 CO 0.03 0.72 -0.10 -0.06 -0.81 0.00 0.00 175.30 175.08 1hkf s PHE 107 N -1.05 0.98 -0.25 5.12 0.40 0.15 -1.82 117.98 121.52 1hkf s PHE 107 Ca 0.20 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1hkf s PHE 107 Cb -0.15 -0.55 0.04 0.00 0.51 0.00 0.00 43.02 42.87 1hkf s PHE 107 CO 0.10 -0.01 -0.10 -0.47 0.70 0.00 0.00 175.22 175.44 1hkf s TYR 108 N -1.82 3.11 -0.20 0.36 5.04 0.19 -0.62 117.35 123.40 1hkf s TYR 108 Ca -0.01 -1.89 -0.15 0.00 -2.44 0.00 0.00 57.07 52.58 1hkf s TYR 108 Cb -0.07 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 1hkf s TYR 108 CO 0.01 -0.81 0.37 -1.17 -1.34 0.00 0.00 175.55 172.61 1hkf s LEU 109 N 1.23 4.15 -0.27 6.97 2.96 0.13 0.13 118.68 133.99 1hkf s LEU 109 Ca -0.03 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1hkf s LEU 109 Cb -0.18 -2.47 0.04 0.00 0.50 0.00 0.00 46.19 44.08 1hkf s LEU 109 CO -0.06 -0.06 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.18 1hkf s VAL 110 N 1.27 2.84 -0.21 1.68 1.01 0.74 -0.43 120.40 127.29 1hkf s VAL 110 Ca 0.18 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 1hkf s VAL 110 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1hkf s VAL 110 CO 0.08 0.08 -0.06 -0.69 0.00 0.00 0.00 175.10 174.50 1hkf s VAL 111 N 1.28 3.25 0.00 2.92 1.01 -1.26 -1.05 120.40 126.55 1hkf s VAL 111 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1hkf s VAL 111 Cb -0.18 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1hkf s VAL 111 CO -0.03 0.44 0.44 -1.54 0.00 0.00 0.00 175.10 174.41