#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n PHE 2 N 0.00 0.11 -3.27 2.03 3.72 -1.23 -4.45 117.46 114.36 2hgu n PHE 2 Ca 0.00 0.07 -0.24 0.00 -0.05 0.00 0.00 57.45 57.23 2hgu n PHE 2 Cb 0.00 -0.37 -0.01 0.00 -0.94 0.00 0.00 39.48 38.16 2hgu n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hgu s ALA 3 N 1.31 3.67 -0.55 4.37 0.00 -0.10 -4.14 121.76 126.32 2hgu s ALA 3 Ca 0.21 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2hgu s ALA 3 Cb -0.21 -2.17 0.23 0.00 0.00 0.00 0.00 23.12 20.98 2hgu s ALA 3 CO 0.08 -0.08 0.61 -0.89 0.00 0.00 0.00 175.76 175.48 2hgu n ILE 4 N -1.86 0.97 0.00 0.00 -0.00 -0.63 -1.22 119.36 116.63 2hgu n ILE 4 Ca -0.04 -4.63 0.00 0.00 -0.00 0.00 0.00 62.75 58.08 2hgu n ILE 4 Cb 0.56 -2.03 0.00 0.00 -0.00 0.00 0.00 39.64 38.18 2hgu n ILE 4 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 2hgu n VAL 5 N 1.35 0.00 0.00 1.39 0.31 -1.26 -3.14 118.33 116.99 2hgu n VAL 5 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 2hgu n VAL 5 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 2hgu n VAL 5 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2hgu n LYS 6 N 0.00 0.00 -2.86 5.55 5.02 -1.26 -4.36 118.16 120.25 2hgu n LYS 6 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2hgu n LYS 6 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2hgu n LYS 6 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2hgu s THR 7 N 0.00 4.37 0.00 -0.18 -1.32 -1.26 -4.25 115.64 113.00 2hgu s THR 7 Ca 0.00 1.89 0.00 0.00 -1.21 0.00 0.00 61.69 62.37 2hgu s THR 7 Cb 0.00 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.76 2hgu s THR 7 CO 0.00 0.44 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 2hgu n GLY 8 N 1.84 0.00 0.00 6.08 0.00 -1.26 -2.81 105.19 109.04 2hgu n GLY 8 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2hgu n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 9 N 0.44 1.86 2.04 -0.02 0.00 -1.26 -4.72 105.19 103.53 2hgu n GLY 9 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2hgu n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgu n LYS 10 N 0.00 -0.12 0.00 1.61 4.81 -1.12 -4.96 118.16 118.38 2hgu n LYS 10 Ca 0.00 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2hgu n LYS 10 Cb 0.00 -3.86 0.00 0.00 0.02 0.00 0.00 35.03 31.19 2hgu n LYS 10 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2hgu n GLN 11 N -1.94 0.00 -4.02 1.64 6.02 -1.24 -4.76 117.38 113.07 2hgu n GLN 11 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 2hgu n GLN 11 Cb 0.31 -1.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.45 2hgu n GLN 11 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2hgu s TYR 12 N 1.10 0.85 0.00 1.08 5.04 -1.26 -4.83 117.35 119.33 2hgu s TYR 12 Ca 0.00 -1.18 0.00 0.00 -2.44 0.00 0.00 57.07 53.45 2hgu s TYR 12 Cb 0.00 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.44 2hgu s TYR 12 CO 0.00 -1.24 0.00 0.54 -1.34 0.00 0.00 175.55 173.51 2hgu n ARG 13 N -0.56 0.00 -3.82 4.97 1.74 -1.26 -4.89 116.66 112.84 2hgu n ARG 13 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 2hgu n ARG 13 Cb 0.61 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.06 2hgu n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hgu s VAL 14 N 0.00 0.00 0.00 1.55 1.01 -0.36 -4.91 120.40 117.69 2hgu s VAL 14 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2hgu s VAL 14 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2hgu s VAL 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 2hgu n GLU 15 N -0.52 3.72 0.00 2.72 -0.58 -1.26 -0.92 120.64 123.80 2hgu n GLU 15 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2hgu n GLU 15 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 2hgu n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2hgu n PRO 16 N 0.00 0.81 -2.53 3.49 -0.04 -1.26 -4.61 135.00 130.86 2hgu n PRO 16 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2hgu n PRO 16 Cb 0.00 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 2hgu n PRO 16 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2hgu s GLY 17 N 0.07 2.82 -0.08 0.55 0.00 -1.26 -3.62 107.32 105.80 2hgu s GLY 17 Ca 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 44.72 45.45 2hgu s GLY 17 CO 0.00 1.22 1.00 1.47 0.00 0.00 0.00 173.10 176.79 2hgu n LEU 18 N 0.26 0.72 -4.44 0.66 -0.00 -1.26 -3.58 117.00 109.36 2hgu n LEU 18 Ca 0.03 -1.05 -0.11 0.00 -0.00 0.00 0.00 56.01 54.89 2hgu n LEU 18 Cb 0.48 -0.36 -0.09 0.00 -0.00 0.00 0.00 43.42 43.45 2hgu n LEU 18 CO 0.47 -0.56 1.05 0.29 -0.00 0.00 0.00 177.39 178.64 2hgu n LYS 19 N 3.83 0.07 -1.64 1.47 4.76 -0.93 -4.75 118.16 120.98 2hgu n LYS 19 Ca 0.06 -1.29 -0.48 0.00 -2.87 0.00 0.00 58.31 53.73 2hgu n LYS 19 Cb 0.06 -3.25 -0.05 0.00 -1.84 0.00 0.00 35.03 29.96 2hgu n LYS 19 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hgu n LEU 20 N 16.37 3.23 -3.90 -0.35 4.77 -1.26 -4.28 117.00 131.57 2hgu n LEU 20 Ca 0.31 0.79 -0.10 0.00 -0.03 0.00 0.00 56.01 56.98 2hgu n LEU 20 Cb 0.48 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 2hgu n LEU 20 CO 0.57 -0.23 -0.20 -0.13 -1.33 0.00 0.00 177.39 176.07 2hgu s ARG 21 N 4.71 0.54 0.00 3.23 1.81 -1.26 -5.01 118.95 122.97 2hgu s ARG 21 Ca 0.96 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 2hgu s ARG 21 Cb -0.67 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.04 2hgu s ARG 21 CO 0.49 -0.13 0.00 0.28 -0.68 0.00 0.00 175.30 175.26 2hgu n VAL 22 N 1.10 0.00 -2.38 3.52 0.31 -1.26 -4.75 118.33 114.87 2hgu n VAL 22 Ca -0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.70 2hgu n VAL 22 Cb 0.57 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.48 2hgu n VAL 22 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2hgu s GLU 23 N 0.00 4.27 -0.61 5.55 2.12 -1.26 -4.82 118.70 123.95 2hgu s GLU 23 Ca 0.00 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.10 2hgu s GLU 23 Cb 0.00 -3.69 0.38 0.00 0.26 0.00 0.00 34.13 31.08 2hgu s GLU 23 CO 0.00 -0.61 1.37 1.63 -0.54 0.00 0.00 175.26 177.10 2hgu n LYS 24 N 6.03 3.41 0.00 4.30 4.76 -1.26 -4.89 118.16 130.50 2hgu n LYS 24 Ca 0.13 -4.35 0.00 0.00 -2.87 0.00 0.00 58.31 51.22 2hgu n LYS 24 Cb 0.45 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.37 2hgu n LYS 24 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hgu n LEU 25 N -0.42 0.00 0.01 -0.35 4.77 -1.26 -3.25 117.00 116.50 2hgu n LEU 25 Ca 0.42 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.39 2hgu n LEU 25 Cb 0.47 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2hgu n LEU 25 CO 0.39 0.00 0.09 0.44 -1.33 0.00 0.00 177.39 176.98 2hgu h ASP 26 N 0.31 -0.06 0.99 -1.43 5.19 -2.01 -3.38 116.42 116.03 2hgu h ASP 26 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.33 2hgu h ASP 26 Cb 0.00 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2hgu h ASP 26 CO 0.00 0.08 -1.06 0.00 -3.12 0.00 0.00 179.24 175.13 2hgu h ALA 27 N -1.73 0.62 -0.79 3.45 0.00 -1.96 -3.35 119.26 115.49 2hgu h ALA 27 Ca -0.01 -0.42 0.26 0.00 0.00 0.00 0.00 54.91 54.74 2hgu h ALA 27 Cb 0.05 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.81 2hgu h ALA 27 CO 0.01 0.47 0.17 0.39 0.00 0.00 0.00 179.25 180.29 2hgu n GLU 28 N -2.86 -0.06 0.16 0.00 1.02 -1.24 0.13 120.64 117.79 2hgu n GLU 28 Ca -0.04 1.16 0.06 0.00 -0.02 0.00 0.00 57.16 58.32 2hgu n GLU 28 Cb 0.70 -1.92 0.09 0.00 -0.02 0.00 0.00 31.44 30.29 2hgu n GLU 28 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2hgu n PRO 29 N -5.00 0.02 -3.29 3.49 -0.02 -1.26 -3.74 135.00 125.20 2hgu n PRO 29 Ca 0.23 0.79 -0.38 0.00 -2.02 0.00 0.00 63.50 62.12 2hgu n PRO 29 Cb 0.76 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 2hgu n PRO 29 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2hgu s GLY 30 N -2.77 2.28 0.00 -1.23 0.00 0.34 -5.01 107.32 100.93 2hgu s GLY 30 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2hgu s GLY 30 CO 0.10 0.88 0.00 0.00 0.00 0.00 0.00 173.10 174.07 2hgu n ALA 31 N 4.07 0.00 -1.25 3.20 0.00 -1.25 -2.75 120.51 122.53 2hgu n ALA 31 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2hgu n ALA 31 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 2hgu n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgu n THR 32 N 0.00 1.78 -1.31 0.00 -1.04 -1.19 -3.82 114.28 108.71 2hgu n THR 32 Ca 0.00 -1.60 -0.29 0.00 -2.04 0.00 0.00 64.05 60.12 2hgu n THR 32 Cb 0.00 -2.29 0.14 0.00 -1.82 0.00 0.00 70.33 66.36 2hgu n THR 32 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hgu s VAL 33 N 5.85 2.41 -0.08 12.58 1.01 -0.58 -4.59 120.40 137.00 2hgu s VAL 33 Ca 0.59 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 2hgu s VAL 33 Cb 0.12 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.83 2hgu s VAL 33 CO 0.13 -0.18 0.02 -1.61 0.00 0.00 0.00 175.10 173.46 2hgu s GLU 34 N -5.04 0.45 0.03 2.72 2.02 -1.24 -1.09 118.70 116.55 2hgu s GLU 34 Ca 0.64 0.10 -0.14 0.00 0.02 0.00 0.00 54.97 55.58 2hgu s GLU 34 Cb -0.17 -1.05 0.02 0.00 0.10 0.00 0.00 34.13 33.03 2hgu s GLU 34 CO 0.56 -0.36 0.32 -1.17 0.02 0.00 0.00 175.26 174.63 2hgu s LEU 35 N 2.01 0.82 0.06 1.80 0.20 -0.51 -4.90 118.68 118.15 2hgu s LEU 35 Ca 0.04 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.75 2hgu s LEU 35 Cb -0.13 1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 46.98 2hgu s LEU 35 CO -0.05 -0.60 0.12 -2.16 -0.29 0.00 0.00 176.35 173.37 2hgu s PRO 36 N -2.36 3.09 0.01 0.98 0.04 -1.17 -1.00 135.00 134.59 2hgu s PRO 36 Ca -0.06 -0.58 0.06 0.00 0.04 0.00 0.00 61.00 60.46 2hgu s PRO 36 Cb -0.01 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 2hgu s PRO 36 CO -0.02 0.59 -0.20 0.54 0.04 0.00 0.00 177.00 177.96 2hgu s VAL 37 N -1.40 1.55 -0.05 -0.36 0.11 -0.14 -4.86 120.40 115.25 2hgu s VAL 37 Ca 0.30 -0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 58.09 2hgu s VAL 37 Cb -0.12 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.37 2hgu s VAL 37 CO 0.23 0.33 1.36 -1.48 -3.33 0.00 0.00 175.10 172.21 2hgu s LEU 38 N -0.75 4.28 0.52 2.54 2.34 -1.26 -1.13 118.68 125.23 2hgu s LEU 38 Ca 0.07 1.99 -0.20 0.00 0.06 0.00 0.00 54.13 56.05 2hgu s LEU 38 Cb -0.08 -3.55 -0.07 0.00 -0.56 0.00 0.00 46.19 41.93 2hgu s LEU 38 CO 0.00 -0.72 1.10 -0.76 -1.06 0.00 0.00 176.35 174.91 2hgu s LEU 39 N 2.74 3.78 -0.28 1.48 1.43 -0.42 -4.33 118.68 123.08 2hgu s LEU 39 Ca 0.61 2.08 -0.01 0.00 -1.03 0.00 0.00 54.13 55.79 2hgu s LEU 39 Cb -0.28 -4.57 0.17 0.00 0.03 0.00 0.00 46.19 41.53 2hgu s LEU 39 CO 0.24 -1.06 0.52 -0.76 0.23 0.00 0.00 176.35 175.51 2hgu s LEU 40 N -3.70 -1.13 0.00 1.79 1.02 -1.19 -2.62 118.68 112.86 2hgu s LEU 40 Ca 0.71 0.53 0.00 0.00 0.02 0.00 0.00 54.13 55.39 2hgu s LEU 40 Cb -0.21 1.75 0.00 0.00 0.02 0.00 0.00 46.19 47.75 2hgu s LEU 40 CO 0.24 -0.28 0.00 0.61 0.02 0.00 0.00 176.35 176.94 2hgu n GLY 41 N 5.40 0.70 3.47 -3.19 0.00 -1.24 -4.12 105.19 106.21 2hgu n GLY 41 Ca -0.01 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 2hgu n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hgu s GLY 42 N 0.00 2.25 -0.39 -0.02 0.00 -1.19 -1.60 107.32 106.37 2hgu s GLY 42 Ca 0.00 -3.20 0.03 0.00 0.00 0.00 0.00 44.72 41.55 2hgu s GLY 42 CO 0.00 2.09 0.12 1.85 0.00 0.00 0.00 173.10 177.16 2hgu s GLU 43 N 2.00 1.67 -0.33 2.90 2.12 -1.26 -0.92 118.70 124.87 2hgu s GLU 43 Ca 0.41 -2.03 -0.00 0.00 0.36 0.00 0.00 54.97 53.70 2hgu s GLU 43 Cb -0.03 -3.29 0.11 0.00 0.26 0.00 0.00 34.13 31.18 2hgu s GLU 43 CO -0.02 -1.00 0.13 0.15 -0.54 0.00 0.00 175.26 173.99 2hgu s LYS 44 N 0.67 0.77 -0.20 4.30 -0.14 -0.06 -4.02 119.74 121.06 2hgu s LYS 44 Ca 0.12 -1.22 -0.18 0.00 -1.36 0.00 0.00 55.97 53.33 2hgu s LYS 44 Cb -0.21 -1.96 0.03 0.00 -1.68 0.00 0.00 37.83 34.00 2hgu s LYS 44 CO -0.06 -1.03 0.30 0.25 -0.76 0.00 0.00 175.35 174.05 2hgu n THR 45 N 4.60 -2.67 0.00 2.17 -2.24 -1.26 -2.61 114.28 112.26 2hgu n THR 45 Ca 0.00 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2hgu n THR 45 Cb 0.40 -3.00 0.00 0.00 -2.10 0.00 0.00 70.33 65.64 2hgu n THR 45 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2hgu n VAL 46 N 0.55 0.00 -3.29 2.28 0.31 -1.26 -4.74 118.33 112.18 2hgu n VAL 46 Ca -0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.90 2hgu n VAL 46 Cb 0.55 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.40 2hgu n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2hgu s VAL 47 N -0.02 5.11 -0.26 2.52 1.01 -1.07 -5.06 120.40 122.63 2hgu s VAL 47 Ca 0.00 0.81 -0.25 0.00 0.00 0.00 0.00 61.98 62.53 2hgu s VAL 47 Cb 0.00 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.68 2hgu s VAL 47 CO 0.00 0.14 0.83 -0.83 0.00 0.00 0.00 175.10 175.23 2hgu s GLY 48 N 1.43 -0.41 0.00 4.51 0.00 -1.26 -0.88 107.32 110.71 2hgu s GLY 48 Ca 0.20 2.21 0.00 0.00 0.00 0.00 0.00 44.72 47.13 2hgu s GLY 48 CO 0.09 1.73 0.00 -1.30 0.00 0.00 0.00 173.10 173.62 2hgu n THR 49 N 2.41 0.00 -0.55 0.90 -2.24 -0.10 -4.99 114.28 109.71 2hgu n THR 49 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2hgu n THR 49 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2hgu n THR 49 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2hgu n PRO 50 N -0.39 0.00 0.00 -0.78 -0.01 -1.26 -3.17 135.00 129.39 2hgu n PRO 50 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 63.50 63.63 2hgu n PRO 50 Cb 0.00 -0.18 0.53 0.00 -0.01 0.00 0.00 33.50 33.84 2hgu n PRO 50 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 2hgu n VAL 51 N 0.19 0.00 0.00 -1.45 0.31 -1.26 -1.57 118.33 114.55 2hgu n VAL 51 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2hgu n VAL 51 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 2hgu n VAL 51 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2hgu n VAL 52 N -1.20 0.00 -0.02 2.52 0.31 -1.26 -0.67 118.33 118.01 2hgu n VAL 52 Ca 0.11 1.22 0.20 0.00 -0.01 0.00 0.00 64.34 65.85 2hgu n VAL 52 Cb 0.31 -2.18 0.68 0.00 -0.91 0.00 0.00 33.84 31.73 2hgu n VAL 52 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2hgu h GLU 53 N 0.00 0.03 -0.06 5.55 3.07 -1.82 0.68 114.58 122.04 2hgu h GLU 53 Ca 0.00 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2hgu h GLU 53 Cb 0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.85 2hgu h GLU 53 CO 0.00 0.02 -0.28 0.78 -1.40 0.00 0.00 179.01 178.13 2hgu h GLY 54 N 0.03 -0.39 1.73 -3.84 0.00 -1.11 0.75 103.07 100.24 2hgu h GLY 54 Ca 0.26 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2hgu h GLY 54 CO -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 176.54 176.31 2hgu n ALA 55 N -2.73 1.58 -3.09 3.60 0.00 0.22 -3.66 120.51 116.43 2hgu n ALA 55 Ca -0.04 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 2hgu n ALA 55 Cb 0.30 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 2hgu n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgu n SER 56 N -1.36 0.36 0.00 0.00 2.88 -0.04 -5.06 113.62 110.39 2hgu n SER 56 Ca 0.04 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 2hgu n SER 56 Cb 0.10 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2hgu n SER 56 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2hgu n VAL 57 N 0.27 0.00 -1.60 2.46 0.31 0.24 -4.63 118.33 115.39 2hgu n VAL 57 Ca 0.21 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.13 2hgu n VAL 57 Cb 0.68 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.62 2hgu n VAL 57 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2hgu n VAL 58 N 0.00 2.43 -4.42 2.52 0.31 -1.26 -4.80 118.33 113.11 2hgu n VAL 58 Ca 0.00 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.57 2hgu n VAL 58 Cb 0.00 -1.10 -0.11 0.00 -0.91 0.00 0.00 33.84 31.72 2hgu n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgu s ALA 59 N -1.30 2.63 0.43 3.52 0.00 -1.26 -1.30 121.76 124.48 2hgu s ALA 59 Ca 0.64 -1.68 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2hgu s ALA 59 Cb -0.56 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 2hgu s ALA 59 CO 0.57 0.40 0.08 -2.00 0.00 0.00 0.00 175.76 174.80 2hgu s GLU 60 N -2.88 2.08 0.16 0.00 2.56 -0.29 -4.87 118.70 115.47 2hgu s GLU 60 Ca 0.23 -2.07 -0.19 0.00 0.00 0.00 0.00 54.97 52.94 2hgu s GLU 60 Cb -0.07 -1.75 0.05 0.00 2.00 0.00 0.00 34.13 34.36 2hgu s GLU 60 CO 0.12 -0.14 0.52 0.08 -0.56 0.00 0.00 175.26 175.28 2hgu s VAL 61 N -2.70 0.03 0.23 3.70 1.01 -0.46 -0.97 120.40 121.24 2hgu s VAL 61 Ca 0.33 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2hgu s VAL 61 Cb 0.07 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2hgu s VAL 61 CO 0.17 -0.14 0.20 0.18 0.00 0.00 0.00 175.10 175.52 2hgu n LEU 62 N -0.32 0.00 -4.42 3.92 4.77 -0.17 -0.79 117.00 120.00 2hgu n LEU 62 Ca -0.15 -2.24 -0.34 0.00 -0.03 0.00 0.00 56.01 53.25 2hgu n LEU 62 Cb 0.64 1.19 -0.13 0.00 -2.33 0.00 0.00 43.42 42.79 2hgu n LEU 62 CO 0.15 -0.37 -0.39 -0.83 -1.33 0.00 0.00 177.39 174.62 2hgu s GLY 63 N -2.65 1.64 0.13 -0.72 0.00 -0.47 -1.42 107.32 103.84 2hgu s GLY 63 Ca 0.28 -0.93 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 2hgu s GLY 63 CO 0.20 0.02 0.16 -2.38 0.00 0.00 0.00 173.10 171.10 2hgu s HIS 64 N 0.63 0.57 0.00 1.90 -3.43 -0.25 -0.95 115.29 113.76 2hgu s HIS 64 Ca -0.04 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.26 2hgu s HIS 64 Cb -0.15 -0.25 0.00 0.00 -1.43 0.00 0.00 32.58 30.75 2hgu s HIS 64 CO 0.03 -0.60 0.00 0.41 -2.00 0.00 0.00 174.74 172.58 2hgu n GLY 65 N -0.13 2.27 5.00 -1.38 0.00 -0.30 -1.53 105.19 109.13 2hgu n GLY 65 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2hgu n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgu n ARG 66 N 0.00 0.00 0.00 1.61 1.85 -1.26 -0.65 116.66 118.21 2hgu n ARG 66 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2hgu n ARG 66 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hgu n ARG 66 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hgu n GLY 67 N 0.00 2.54 0.00 2.89 0.00 -0.42 -4.73 105.19 105.48 2hgu n GLY 67 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2hgu n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgu n LYS 68 N 0.00 0.00 0.00 1.61 4.76 -1.22 -0.49 118.16 122.82 2hgu n LYS 68 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2hgu n LYS 68 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2hgu n LYS 68 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2hgu n LYS 69 N 0.00 0.00 -2.57 1.97 4.81 -0.73 -4.99 118.16 116.65 2hgu n LYS 69 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2hgu n LYS 69 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2hgu n LYS 69 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2hgu s ILE 70 N -2.21 4.52 -0.43 3.15 1.01 -1.25 -0.89 121.20 125.10 2hgu s ILE 70 Ca 0.00 1.83 0.09 0.00 0.00 0.00 0.00 60.65 62.58 2hgu s ILE 70 Cb 0.00 -4.18 0.60 0.00 0.01 0.00 0.00 42.46 38.88 2hgu s ILE 70 CO 0.00 -0.12 1.46 0.18 0.00 0.00 0.00 174.94 176.46 2hgu n LEU 71 N 6.07 4.69 0.00 2.97 4.77 -0.34 -4.88 117.00 130.28 2hgu n LEU 71 Ca 0.12 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 2hgu n LEU 71 Cb 0.46 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2hgu n LEU 71 CO 0.54 0.58 0.00 0.52 -1.33 0.00 0.00 177.39 177.69 2hgu n VAL 72 N 0.31 0.00 -0.69 4.08 0.31 -1.26 -5.00 118.33 116.08 2hgu n VAL 72 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2hgu n VAL 72 Cb 1.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 2hgu n VAL 72 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2hgu n SER 73 N 4.94 0.00 -4.56 4.52 3.41 -1.26 -1.18 113.62 119.49 2hgu n SER 73 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2hgu n SER 73 Cb 0.00 -1.04 -0.11 0.00 -0.26 0.00 0.00 64.21 62.80 2hgu n SER 73 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2hgu s LYS 74 N -2.45 1.85 -0.25 4.33 -0.14 -1.26 -0.83 119.74 121.00 2hgu s LYS 74 Ca 0.00 -2.00 -0.04 0.00 -1.36 0.00 0.00 55.97 52.57 2hgu s LYS 74 Cb 0.00 -1.61 0.09 0.00 -1.68 0.00 0.00 37.83 34.63 2hgu s LYS 74 CO 0.00 0.04 0.15 -0.06 -0.76 0.00 0.00 175.35 174.72 2hgu s PHE 75 N -2.70 0.11 -0.32 3.18 0.40 0.48 -4.93 117.98 114.20 2hgu s PHE 75 Ca 0.34 -0.49 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 2hgu s PHE 75 Cb 0.06 -0.72 0.01 0.00 0.51 0.00 0.00 43.02 42.88 2hgu s PHE 75 CO 0.17 -0.72 0.13 0.15 0.70 0.00 0.00 175.22 175.64 2hgu s LYS 76 N 2.17 3.10 -0.25 0.44 -0.14 -1.26 -0.86 119.74 122.94 2hgu s LYS 76 Ca 0.07 -0.87 -0.08 0.00 -1.36 0.00 0.00 55.97 53.72 2hgu s LYS 76 Cb -0.16 -3.51 -0.03 0.00 -1.68 0.00 0.00 37.83 32.45 2hgu s LYS 76 CO -0.26 -0.49 0.10 0.00 -0.76 0.00 0.00 175.35 173.94 2hgu s ALA 77 N 1.54 3.26 -0.12 5.17 0.00 0.47 -4.91 121.76 127.17 2hgu s ALA 77 Ca 0.03 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 2hgu s ALA 77 Cb -0.18 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.81 2hgu s ALA 77 CO 0.04 -0.48 0.02 0.21 0.00 0.00 0.00 175.76 175.56 2hgu s LYS 78 N 1.60 0.58 0.03 0.00 2.36 -1.24 -0.71 119.74 122.37 2hgu s LYS 78 Ca 0.06 -0.10 -0.30 0.00 -2.55 0.00 0.00 55.97 53.08 2hgu s LYS 78 Cb -0.15 -1.45 -0.04 0.00 -1.05 0.00 0.00 37.83 35.13 2hgu s LYS 78 CO 0.05 -0.46 1.01 0.08 1.55 0.00 0.00 175.35 177.59 2hgu s VAL 79 N 1.94 4.67 0.32 4.02 1.01 -0.14 -4.81 120.40 127.41 2hgu s VAL 79 Ca 0.03 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.98 2hgu s VAL 79 Cb -0.14 -4.26 0.28 0.00 0.00 0.00 0.00 36.38 32.25 2hgu s VAL 79 CO -0.07 0.18 1.95 0.06 0.00 0.00 0.00 175.10 177.22 2hgu h GLN 80 N 6.57 0.96 -0.60 2.72 3.07 -1.99 -0.41 115.11 125.44 2hgu h GLN 80 Ca -0.41 -0.06 0.23 0.00 0.09 0.00 0.00 58.65 58.50 2hgu h GLN 80 Cb 1.22 -0.22 -0.09 0.00 0.08 0.00 0.00 27.48 28.47 2hgu h GLN 80 CO 0.75 0.64 0.35 0.66 0.09 0.00 0.00 178.83 181.32 2hgu n TYR 81 N -4.46 0.54 0.00 0.06 4.02 -1.26 -4.60 117.16 111.46 2hgu n TYR 81 Ca 0.11 0.54 0.00 0.00 -0.01 0.00 0.00 57.90 58.54 2hgu n TYR 81 Cb 0.13 -0.96 0.00 0.00 -0.02 0.00 0.00 39.34 38.49 2hgu n TYR 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2hgu n ARG 82 N -4.04 0.00 0.00 -0.72 1.74 -0.29 -5.21 116.66 108.15 2hgu n ARG 82 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2hgu n ARG 82 Cb 0.73 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.17 2hgu n ARG 82 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2hgu n ARG 83 N 0.00 0.00 -4.45 5.56 0.00 -0.48 -4.95 116.66 112.34 2hgu n ARG 83 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 2hgu n ARG 83 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.32 2hgu n ARG 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2hgu s LYS 84 N -0.96 1.02 -0.14 -0.14 3.01 -1.25 -0.96 119.74 120.32 2hgu s LYS 84 Ca 0.00 -0.71 -0.12 0.00 -1.01 0.00 0.00 55.97 54.13 2hgu s LYS 84 Cb 0.00 -1.03 0.04 0.00 -1.01 0.00 0.00 37.83 35.83 2hgu s LYS 84 CO 0.00 0.26 0.37 0.15 0.51 0.00 0.00 175.35 176.64 2hgu s LYS 85 N -0.94 0.41 -0.17 1.68 1.02 0.12 -4.95 119.74 116.91 2hgu s LYS 85 Ca 0.03 0.54 -0.07 0.00 0.02 0.00 0.00 55.97 56.49 2hgu s LYS 85 Cb -0.07 0.17 0.07 0.00 -0.52 0.00 0.00 37.83 37.48 2hgu s LYS 85 CO 0.01 -0.07 0.37 0.20 -0.92 0.00 0.00 175.35 174.94 2hgu s GLY 86 N 0.38 -0.28 0.26 -3.33 0.00 -1.25 -0.39 107.32 102.71 2hgu s GLY 86 Ca -0.02 1.35 0.01 0.00 0.00 0.00 0.00 44.72 46.06 2hgu s GLY 86 CO -0.01 2.06 0.06 1.42 0.00 0.00 0.00 173.10 176.63 2hgu n HIS 87 N 5.04 0.09 -4.34 1.90 8.25 -0.04 -4.77 115.22 121.35 2hgu n HIS 87 Ca -0.13 -1.24 -0.27 0.00 -0.26 0.00 0.00 57.72 55.83 2hgu n HIS 87 Cb 0.51 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 2hgu n HIS 87 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2hgu s ARG 88 N -2.99 1.78 -0.87 -0.41 3.52 -1.26 -0.38 118.95 118.34 2hgu s ARG 88 Ca 0.05 -1.35 -0.23 0.00 -0.13 0.00 0.00 55.73 54.07 2hgu s ARG 88 Cb -0.00 -2.03 -0.19 0.00 -1.56 0.00 0.00 34.95 31.17 2hgu s ARG 88 CO 0.03 0.43 2.13 1.04 -0.81 0.00 0.00 175.30 178.12 2hgu n GLN 89 N 0.31 0.25 -2.89 5.12 6.02 -0.01 -4.95 117.38 121.23 2hgu n GLN 89 Ca -0.13 -1.09 -0.43 0.00 -0.01 0.00 0.00 57.00 55.34 2hgu n GLN 89 Cb 0.55 -3.35 -0.05 0.00 1.02 0.00 0.00 30.24 28.41 2hgu n GLN 89 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2hgu s PRO 90 N 8.25 3.62 -0.22 -1.09 0.04 -1.26 -1.19 135.00 143.15 2hgu s PRO 90 Ca 0.82 0.22 -0.16 0.00 0.04 0.00 0.00 61.00 61.93 2hgu s PRO 90 Cb -0.14 -3.87 0.06 0.00 0.04 0.00 0.00 34.50 30.59 2hgu s PRO 90 CO 0.16 -1.04 0.55 0.71 0.04 0.00 0.00 177.00 177.42 2hgu s TYR 91 N 3.41 -0.73 0.00 0.56 1.51 -0.07 -4.92 117.35 117.12 2hgu s TYR 91 Ca 0.34 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 58.00 2hgu s TYR 91 Cb -0.12 0.33 0.00 0.00 -0.11 0.00 0.00 41.96 42.07 2hgu s TYR 91 CO 0.21 -0.37 0.00 -2.37 -1.11 0.00 0.00 175.55 171.92 2hgu n THR 92 N 3.57 0.00 -3.63 -0.71 5.66 -1.25 -1.78 114.28 116.14 2hgu n THR 92 Ca -0.18 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.67 2hgu n THR 92 Cb 0.57 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.27 2hgu n THR 92 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2hgu s GLU 93 N -2.00 0.83 -0.21 1.09 -1.05 0.36 -4.02 118.70 113.70 2hgu s GLU 93 Ca 0.00 0.38 -0.26 0.00 -0.15 0.00 0.00 54.97 54.94 2hgu s GLU 93 Cb 0.00 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.08 2hgu s GLU 93 CO 0.00 -0.20 0.87 -0.51 0.95 0.00 0.00 175.26 176.37 2hgu s LEU 94 N -0.63 4.12 0.28 1.83 1.43 -1.26 -1.29 118.68 123.16 2hgu s LEU 94 Ca -0.07 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.07 2hgu s LEU 94 Cb -0.03 -3.27 -0.08 0.00 0.03 0.00 0.00 46.19 42.84 2hgu s LEU 94 CO 0.05 -0.50 0.64 -0.76 0.23 0.00 0.00 176.35 176.01 2hgu s LEU 95 N 2.62 4.10 -0.22 1.79 1.43 0.18 -4.60 118.68 123.99 2hgu s LEU 95 Ca 0.38 1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 54.46 2hgu s LEU 95 Cb -0.16 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 2hgu s LEU 95 CO 0.09 -0.15 0.12 0.27 0.23 0.00 0.00 176.35 176.92 2hgu s ILE 96 N -1.92 5.16 -0.37 -0.59 -5.25 -1.26 -1.14 121.20 115.82 2hgu s ILE 96 Ca 0.50 0.11 -0.15 0.00 -0.99 0.00 0.00 60.65 60.12 2hgu s ILE 96 Cb -0.11 -3.38 -0.00 0.00 2.95 0.00 0.00 42.46 41.93 2hgu s ILE 96 CO 0.20 0.40 0.36 -0.54 -1.79 0.00 0.00 174.94 173.57 2hgu s LYS 97 N 0.76 3.40 -0.24 0.37 3.01 -0.13 -2.19 119.74 124.72 2hgu s LYS 97 Ca 0.06 -0.57 -0.33 0.00 -1.01 0.00 0.00 55.97 54.12 2hgu s LYS 97 Cb -0.13 -3.86 -0.10 0.00 -1.01 0.00 0.00 37.83 32.74 2hgu s LYS 97 CO 0.02 -0.61 2.11 0.39 0.51 0.00 0.00 175.35 177.77 2hgu n GLU 98 N 5.38 1.60 -3.59 1.68 1.02 -1.23 -1.36 120.64 124.14 2hgu n GLU 98 Ca -0.09 0.49 -0.40 0.00 -0.02 0.00 0.00 57.16 57.14 2hgu n GLU 98 Cb 0.49 -2.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.13 2hgu n GLU 98 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2hgu s ILE 99 N 6.64 4.31 0.00 -3.67 1.01 0.03 -4.40 121.20 125.12 2hgu s ILE 99 Ca 1.03 -2.64 0.00 0.00 0.00 0.00 0.00 60.65 59.04 2hgu s ILE 99 Cb -0.68 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2hgu s ILE 99 CO 0.47 -0.90 0.00 0.54 0.00 0.00 0.00 174.94 175.04 2hgu n ARG 100 N 3.84 3.51 0.00 2.79 5.12 -1.26 -1.36 116.66 129.31 2hgu n ARG 100 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2hgu n ARG 100 Cb 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.71 2hgu n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11