#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n PHE 2 N 0.00 1.04 -3.38 2.03 3.72 -1.26 -4.54 117.46 115.07 2hgj n PHE 2 Ca 0.00 0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.20 2hgj n PHE 2 Cb 0.00 -2.33 -0.04 0.00 -0.94 0.00 0.00 39.48 36.17 2hgj n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hgj s ALA 3 N 11.22 3.62 -0.17 4.37 0.00 -0.01 -4.47 121.76 136.32 2hgj s ALA 3 Ca 1.06 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2hgj s ALA 3 Cb -0.39 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.43 2hgj s ALA 3 CO 0.27 0.34 -0.12 0.42 0.00 0.00 0.00 175.76 176.67 2hgj s ILE 4 N -1.99 1.56 0.00 0.00 1.09 -0.45 -0.87 121.20 120.54 2hgj s ILE 4 Ca 0.45 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 59.23 2hgj s ILE 4 Cb -0.11 -1.55 0.00 0.00 -1.06 0.00 0.00 42.46 39.74 2hgj s ILE 4 CO 0.27 0.33 0.00 0.52 -0.10 0.00 0.00 174.94 175.96 2hgj n VAL 5 N 4.75 0.00 0.00 2.92 0.31 -1.09 -3.23 118.33 121.99 2hgj n VAL 5 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2hgj n VAL 5 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2hgj n VAL 5 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2hgj n LYS 6 N 0.00 0.00 -3.69 5.55 5.02 -1.26 -4.56 118.16 119.23 2hgj n LYS 6 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 2hgj n LYS 6 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 2hgj n LYS 6 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2hgj s THR 7 N -1.82 -0.15 -1.43 -0.18 -1.32 -1.26 -4.72 115.64 104.77 2hgj s THR 7 Ca 0.00 0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 60.82 2hgj s THR 7 Cb 0.00 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 2hgj s THR 7 CO 0.00 0.15 0.31 0.61 -2.21 0.00 0.00 174.62 173.49 2hgj n GLY 8 N 5.10 -0.25 0.00 6.08 0.00 -1.26 -4.46 105.19 110.40 2hgj n GLY 8 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2hgj n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgj n GLY 9 N -2.17 0.64 0.34 -0.02 0.00 -1.26 -4.94 105.19 97.79 2hgj n GLY 9 Ca -0.30 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2hgj n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgj n LYS 10 N 0.00 -0.15 0.00 1.61 5.02 -1.26 -4.78 118.16 118.60 2hgj n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2hgj n LYS 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2hgj n LYS 10 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2hgj n GLN 11 N -0.13 0.00 -4.28 1.97 6.02 -1.26 -4.81 117.38 114.88 2hgj n GLN 11 Ca 0.00 0.22 -0.30 0.00 -0.01 0.00 0.00 57.00 56.91 2hgj n GLN 11 Cb 0.00 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 2hgj n GLN 11 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2hgj s TYR 12 N -2.43 1.63 0.00 1.08 5.04 -1.26 -4.81 117.35 116.61 2hgj s TYR 12 Ca 0.00 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 53.71 2hgj s TYR 12 Cb 0.00 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.55 2hgj s TYR 12 CO 0.00 -0.20 0.00 0.54 -1.34 0.00 0.00 175.55 174.55 2hgj n ARG 13 N -1.58 0.00 -4.00 4.97 5.12 -1.17 -4.71 116.66 115.29 2hgj n ARG 13 Ca -0.10 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.69 2hgj n ARG 13 Cb 0.66 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.94 2hgj n ARG 13 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2hgj s VAL 14 N 0.00 0.00 0.00 1.55 1.01 -0.05 -4.87 120.40 118.04 2hgj s VAL 14 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2hgj s VAL 14 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2hgj s VAL 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 2hgj n GLU 15 N -0.56 2.53 -2.53 2.72 -0.58 -1.26 -0.83 120.64 120.13 2hgj n GLU 15 Ca -0.02 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 2hgj n GLU 15 Cb 0.61 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.50 2hgj n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2hgj n PRO 16 N 0.00 5.30 -2.62 3.49 -0.04 -1.26 -4.81 135.00 135.06 2hgj n PRO 16 Ca 0.00 -4.46 -0.18 0.00 -0.04 0.00 0.00 63.50 58.82 2hgj n PRO 16 Cb 0.00 -2.50 0.08 0.00 -0.04 0.00 0.00 33.50 31.04 2hgj n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgj n GLY 17 N 0.27 1.52 2.27 0.55 0.00 -1.26 -4.74 105.19 103.80 2hgj n GLY 17 Ca 0.49 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 2hgj n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2hgj n LEU 18 N 0.00 7.47 -3.69 0.99 -0.00 -1.26 -2.19 117.00 118.32 2hgj n LEU 18 Ca 0.15 -4.11 0.00 0.00 -0.00 0.00 0.00 56.01 52.05 2hgj n LEU 18 Cb 0.53 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 2hgj n LEU 18 CO 0.35 1.39 0.79 0.29 -0.00 0.00 0.00 177.39 180.21 2hgj n LYS 19 N -0.83 0.00 -1.46 1.47 4.76 -1.18 -4.66 118.16 116.26 2hgj n LYS 19 Ca 0.59 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 55.58 2hgj n LYS 19 Cb 0.77 -0.92 -0.10 0.00 -1.84 0.00 0.00 35.03 32.94 2hgj n LYS 19 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hgj n LEU 20 N 3.88 1.36 -4.14 -0.35 4.77 -1.26 -4.10 117.00 117.16 2hgj n LEU 20 Ca 0.00 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 2hgj n LEU 20 Cb 0.39 -1.17 -0.16 0.00 -2.33 0.00 0.00 43.42 40.16 2hgj n LEU 20 CO 0.39 -0.92 -0.50 -0.13 -1.33 0.00 0.00 177.39 174.91 2hgj s ARG 21 N 7.58 1.56 0.00 3.23 1.81 -1.26 -4.95 118.95 126.93 2hgj s ARG 21 Ca 1.18 -0.60 0.00 0.00 -1.72 0.00 0.00 55.73 54.59 2hgj s ARG 21 Cb -0.93 -1.43 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 2hgj s ARG 21 CO 0.46 0.30 0.00 0.28 -0.68 0.00 0.00 175.30 175.66 2hgj n VAL 22 N 2.93 0.00 -2.44 3.52 0.31 -1.26 -4.68 118.33 116.70 2hgj n VAL 22 Ca -0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.74 2hgj n VAL 22 Cb 0.53 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.44 2hgj n VAL 22 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2hgj s GLU 23 N 0.00 4.29 -0.40 5.55 2.12 -1.23 -4.75 118.70 124.28 2hgj s GLU 23 Ca 0.00 1.66 0.07 0.00 0.36 0.00 0.00 54.97 57.06 2hgj s GLU 23 Cb 0.00 -3.67 0.22 0.00 0.26 0.00 0.00 34.13 30.95 2hgj s GLU 23 CO 0.00 -0.59 0.48 1.63 -0.54 0.00 0.00 175.26 176.24 2hgj n LYS 24 N 5.97 0.55 -1.13 4.30 4.76 -1.26 -5.01 118.16 126.34 2hgj n LYS 24 Ca 0.13 -3.13 -0.33 0.00 -2.87 0.00 0.00 58.31 52.11 2hgj n LYS 24 Cb 0.45 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.26 2hgj n LYS 24 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hgj n LEU 25 N 1.88 6.61 -0.04 -0.35 4.77 -1.26 -4.04 117.00 124.57 2hgj n LEU 25 Ca 0.23 -3.63 -0.08 0.00 -0.03 0.00 0.00 56.01 52.50 2hgj n LEU 25 Cb 0.52 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 2hgj n LEU 25 CO 0.14 1.16 -0.58 0.47 -1.33 0.00 0.00 177.39 177.25 2hgj n ASP 26 N 4.53 1.24 -0.03 -1.43 9.92 -1.26 -4.60 116.55 124.92 2hgj n ASP 26 Ca 0.60 0.20 -0.06 0.00 -0.53 0.00 0.00 54.79 54.99 2hgj n ASP 26 Cb 0.23 -0.46 -0.13 0.00 -0.64 0.00 0.00 41.12 40.12 2hgj n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hgj n ALA 27 N -3.78 1.65 -0.33 2.24 0.00 -1.26 -4.05 120.51 114.98 2hgj n ALA 27 Ca -0.14 -0.86 0.26 0.00 0.00 0.00 0.00 53.44 52.70 2hgj n ALA 27 Cb 0.42 -0.70 0.49 0.00 0.00 0.00 0.00 19.45 19.67 2hgj n ALA 27 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hgj h GLU 28 N 0.00 0.08 0.00 0.00 5.08 -1.84 0.42 114.58 118.31 2hgj h GLU 28 Ca -0.32 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2hgj h GLU 28 Cb 1.94 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2hgj h GLU 28 CO 0.06 0.05 0.00 -2.30 -1.00 0.00 0.00 179.01 175.82 2hgj n PRO 29 N -5.26 0.00 -3.77 2.33 -0.02 -1.26 -4.02 135.00 123.00 2hgj n PRO 29 Ca 0.33 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 2hgj n PRO 29 Cb 1.09 -0.95 -0.11 0.00 -0.02 0.00 0.00 33.50 33.51 2hgj n PRO 29 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2hgj s GLY 30 N -1.18 -0.23 0.00 -1.23 0.00 0.15 -5.13 107.32 99.70 2hgj s GLY 30 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2hgj s GLY 30 CO 0.00 0.78 0.00 0.00 0.00 0.00 0.00 173.10 173.88 2hgj n ALA 31 N 3.00 0.00 -1.52 3.20 0.00 -1.26 -4.03 120.51 119.91 2hgj n ALA 31 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 2hgj n ALA 31 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 2hgj n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgj n THR 32 N 0.00 0.00 -2.70 0.00 -1.04 -0.38 -4.26 114.28 105.89 2hgj n THR 32 Ca 0.00 -0.36 -0.22 0.00 -2.04 0.00 0.00 64.05 61.43 2hgj n THR 32 Cb 0.00 -1.62 0.09 0.00 -1.82 0.00 0.00 70.33 66.97 2hgj n THR 32 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hgj s VAL 33 N 12.89 2.23 -0.02 12.58 1.01 -0.46 -4.54 120.40 144.09 2hgj s VAL 33 Ca 0.88 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.23 2hgj s VAL 33 Cb -0.19 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2hgj s VAL 33 CO 0.17 0.00 -0.22 -1.61 0.00 0.00 0.00 175.10 173.44 2hgj s GLU 34 N -4.97 1.80 -0.14 2.72 8.01 -1.23 -1.02 118.70 123.87 2hgj s GLU 34 Ca 0.64 -0.78 -0.30 0.00 0.01 0.00 0.00 54.97 54.54 2hgj s GLU 34 Cb -0.06 -1.72 0.11 0.00 -4.31 0.00 0.00 34.13 28.15 2hgj s GLU 34 CO 0.42 0.46 0.92 -0.51 0.01 0.00 0.00 175.26 176.56 2hgj s LEU 35 N -0.48 -0.45 -0.07 1.80 1.02 -0.45 -4.90 118.68 115.15 2hgj s LEU 35 Ca 0.07 0.53 -0.06 0.00 0.02 0.00 0.00 54.13 54.70 2hgj s LEU 35 Cb -0.09 2.04 -0.04 0.00 0.02 0.00 0.00 46.19 48.12 2hgj s LEU 35 CO -0.01 -0.39 0.18 -2.16 0.02 0.00 0.00 176.35 173.99 2hgj s PRO 36 N -1.00 3.47 -0.08 1.29 0.04 -1.19 -0.86 135.00 136.67 2hgj s PRO 36 Ca -0.04 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 60.89 2hgj s PRO 36 Cb -0.01 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 2hgj s PRO 36 CO 0.03 0.73 -0.22 0.54 0.04 0.00 0.00 177.00 178.12 2hgj s VAL 37 N -1.15 1.88 0.33 -0.36 0.11 0.08 -4.87 120.40 116.42 2hgj s VAL 37 Ca 0.20 -0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 58.03 2hgj s VAL 37 Cb -0.13 -1.62 -0.11 0.00 -1.53 0.00 0.00 36.38 32.99 2hgj s VAL 37 CO 0.10 0.52 1.56 -1.48 -3.33 0.00 0.00 175.10 172.47 2hgj s LEU 38 N 0.22 4.33 0.00 2.54 2.34 -1.26 -1.11 118.68 125.73 2hgj s LEU 38 Ca -0.13 3.02 0.00 0.00 0.06 0.00 0.00 54.13 57.08 2hgj s LEU 38 Cb -0.16 -3.65 0.00 0.00 -0.56 0.00 0.00 46.19 41.82 2hgj s LEU 38 CO 0.06 -0.92 0.96 0.18 -1.06 0.00 0.00 176.35 175.58 2hgj n LEU 39 N 1.38 0.00 -2.79 1.48 4.77 -0.58 -4.56 117.00 116.71 2hgj n LEU 39 Ca 0.05 0.96 -0.03 0.00 -0.03 0.00 0.00 56.01 56.97 2hgj n LEU 39 Cb 0.38 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2hgj n LEU 39 CO 0.64 -0.46 -0.49 0.18 -1.33 0.00 0.00 177.39 175.92 2hgj n LEU 40 N -1.91 -6.11 0.00 2.23 4.32 -1.23 -2.67 117.00 111.63 2hgj n LEU 40 Ca 0.00 1.64 0.00 0.00 -0.02 0.00 0.00 56.01 57.63 2hgj n LEU 40 Cb 0.00 -2.81 0.00 0.00 -1.62 0.00 0.00 43.42 38.99 2hgj n LEU 40 CO 0.00 -3.35 0.00 0.61 -1.22 0.00 0.00 177.39 173.43 2hgj n GLY 41 N 1.56 0.61 3.64 -0.72 0.00 0.35 -3.68 105.19 106.95 2hgj n GLY 41 Ca -0.19 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 2hgj n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hgj s GLY 42 N -1.05 1.66 0.00 -0.02 0.00 -0.73 -1.34 107.32 105.83 2hgj s GLY 42 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.64 2hgj s GLY 42 CO 0.00 2.07 0.00 -2.21 0.00 0.00 0.00 173.10 172.96 2hgj n GLU 43 N 6.45 0.00 -3.65 2.90 0.00 -1.26 -0.70 120.64 124.38 2hgj n GLU 43 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.20 2hgj n GLU 43 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.84 2hgj n GLU 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2hgj s LYS 44 N -0.67 0.56 -0.52 5.31 -0.14 0.03 -4.06 119.74 120.25 2hgj s LYS 44 Ca 0.00 1.21 -0.21 0.00 -1.36 0.00 0.00 55.97 55.60 2hgj s LYS 44 Cb 0.00 0.39 0.03 0.00 -1.68 0.00 0.00 37.83 36.57 2hgj s LYS 44 CO 0.00 -0.18 0.56 0.25 -0.76 0.00 0.00 175.35 175.22 2hgj n THR 45 N 4.85 -3.12 0.00 2.17 -2.24 -1.26 -2.86 114.28 111.82 2hgj n THR 45 Ca -0.16 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2hgj n THR 45 Cb 0.54 -2.83 0.00 0.00 -2.10 0.00 0.00 70.33 65.94 2hgj n THR 45 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2hgj n VAL 46 N -1.00 0.00 -2.42 2.28 0.31 -1.26 -4.84 118.33 111.40 2hgj n VAL 46 Ca -0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.75 2hgj n VAL 46 Cb 0.60 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 2hgj n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2hgj s VAL 47 N -0.33 3.86 -0.17 2.52 1.01 -1.13 -5.00 120.40 121.16 2hgj s VAL 47 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2hgj s VAL 47 Cb 0.00 -4.45 0.04 0.00 0.00 0.00 0.00 36.38 31.97 2hgj s VAL 47 CO 0.00 -1.11 -0.09 -0.83 0.00 0.00 0.00 175.10 173.07 2hgj s GLY 48 N 4.02 1.11 -0.30 4.51 0.00 -1.26 -0.79 107.32 114.61 2hgj s GLY 48 Ca 0.52 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 2hgj s GLY 48 CO 0.27 0.76 0.90 -1.59 0.00 0.00 0.00 173.10 173.44 2hgj s THR 49 N 1.51 -0.55 0.00 0.90 2.01 0.12 -4.99 115.64 114.63 2hgj s THR 49 Ca 0.01 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2hgj s THR 49 Cb -0.15 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2hgj s THR 49 CO -0.08 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.04 2hgj n PRO 50 N 5.46 0.50 0.10 4.92 -0.04 -1.15 -2.89 135.00 141.90 2hgj n PRO 50 Ca -0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 2hgj n PRO 50 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 2hgj n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hgj h VAL 51 N 0.00 0.53 0.00 0.52 2.07 -1.91 1.05 116.25 118.50 2hgj h VAL 51 Ca 0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.67 2hgj h VAL 51 Cb 0.00 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2hgj h VAL 51 CO 0.00 0.30 0.00 0.52 0.02 0.00 0.00 177.57 178.41 2hgj n VAL 52 N -3.01 0.00 0.00 2.57 0.31 -1.26 -0.87 118.33 116.07 2hgj n VAL 52 Ca -0.02 1.35 0.00 0.00 -0.01 0.00 0.00 64.34 65.65 2hgj n VAL 52 Cb 0.73 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 2hgj n VAL 52 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hgj n GLU 53 N -1.59 0.00 0.20 5.55 4.71 -1.23 0.17 120.64 128.45 2hgj n GLU 53 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 2hgj n GLU 53 Cb 0.00 0.00 0.40 0.00 -1.01 0.00 0.00 31.44 30.83 2hgj n GLU 53 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2hgj h GLY 54 N 0.00 0.00 1.89 0.62 0.00 -1.24 0.78 103.07 105.11 2hgj h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hgj h GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2hgj n ALA 55 N -2.36 2.34 -1.14 3.60 0.00 0.44 -2.94 120.51 120.45 2hgj n ALA 55 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.34 2hgj n ALA 55 Cb 0.44 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.46 2hgj n ALA 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2hgj n SER 56 N -1.44 0.96 0.00 0.00 7.64 0.81 -5.00 113.62 116.60 2hgj n SER 56 Ca 0.09 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.95 2hgj n SER 56 Cb 0.31 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2hgj n SER 56 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2hgj n VAL 57 N -0.45 0.00 -0.87 0.44 0.31 0.26 -4.87 118.33 113.15 2hgj n VAL 57 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.06 2hgj n VAL 57 Cb 0.55 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.63 2hgj n VAL 57 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2hgj s VAL 58 N 2.01 2.45 0.34 2.52 1.01 -1.26 -4.86 120.40 122.61 2hgj s VAL 58 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2hgj s VAL 58 Cb 0.00 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 2hgj s VAL 58 CO 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 175.10 174.87 2hgj s ALA 59 N -2.73 2.72 0.19 5.51 0.00 -1.26 -1.52 121.76 124.67 2hgj s ALA 59 Ca 0.65 -2.08 0.09 0.00 0.00 0.00 0.00 51.96 50.62 2hgj s ALA 59 Cb -0.21 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2hgj s ALA 59 CO 0.58 -0.08 -0.19 -1.21 0.00 0.00 0.00 175.76 174.86 2hgj s GLU 60 N -3.72 1.38 0.13 0.00 0.41 -0.27 -4.68 118.70 111.96 2hgj s GLU 60 Ca 0.33 -1.50 -0.15 0.00 -0.41 0.00 0.00 54.97 53.24 2hgj s GLU 60 Cb 0.06 -1.47 0.03 0.00 -1.78 0.00 0.00 34.13 30.96 2hgj s GLU 60 CO 0.15 0.30 0.37 0.08 -0.49 0.00 0.00 175.26 175.67 2hgj s VAL 61 N -2.12 0.08 0.41 2.63 1.01 -0.55 -0.74 120.40 121.11 2hgj s VAL 61 Ca 0.19 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2hgj s VAL 61 Cb -0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2hgj s VAL 61 CO 0.08 -0.35 0.07 -0.76 0.00 0.00 0.00 175.10 174.14 2hgj s LEU 62 N -2.82 2.21 -0.18 3.92 1.43 -0.04 -0.83 118.68 122.37 2hgj s LEU 62 Ca 0.04 -1.56 0.01 0.00 -1.03 0.00 0.00 54.13 51.59 2hgj s LEU 62 Cb 0.02 -0.42 0.03 0.00 0.03 0.00 0.00 46.19 45.85 2hgj s LEU 62 CO -0.11 -0.78 -0.14 -0.83 0.23 0.00 0.00 176.35 174.72 2hgj s GLY 63 N -3.66 1.30 0.19 -3.19 0.00 -0.51 -1.35 107.32 100.10 2hgj s GLY 63 Ca 0.24 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2hgj s GLY 63 CO 0.12 0.52 0.01 -2.38 0.00 0.00 0.00 173.10 171.37 2hgj s HIS 64 N 1.36 1.28 0.01 1.90 -3.43 -0.19 -0.93 115.29 115.29 2hgj s HIS 64 Ca 0.02 -1.01 -0.02 0.00 -0.80 0.00 0.00 55.06 53.24 2hgj s HIS 64 Cb -0.15 -0.73 0.01 0.00 -1.43 0.00 0.00 32.58 30.28 2hgj s HIS 64 CO -0.10 -0.19 0.09 0.41 -2.00 0.00 0.00 174.74 172.95 2hgj n GLY 65 N -0.28 0.92 5.49 -1.38 0.00 -0.19 -1.25 105.19 108.50 2hgj n GLY 65 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2hgj n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgj n ARG 66 N -0.07 0.00 0.00 1.61 1.85 -1.26 -0.68 116.66 118.12 2hgj n ARG 66 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2hgj n ARG 66 Cb 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.46 2hgj n ARG 66 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hgj n GLY 67 N 0.00 2.27 3.95 2.89 0.00 -0.54 -4.72 105.19 109.05 2hgj n GLY 67 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2hgj n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgj n LYS 68 N 0.00 0.00 0.00 1.61 4.76 -1.22 -0.64 118.16 122.66 2hgj n LYS 68 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2hgj n LYS 68 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2hgj n LYS 68 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2hgj n LYS 69 N 6.77 0.00 -2.79 1.97 4.81 -0.77 -4.88 118.16 123.27 2hgj n LYS 69 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 2hgj n LYS 69 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 2hgj n LYS 69 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2hgj s ILE 70 N 0.00 4.14 -0.31 3.15 1.01 -1.25 -0.67 121.20 127.27 2hgj s ILE 70 Ca 0.00 2.01 0.10 0.00 0.00 0.00 0.00 60.65 62.77 2hgj s ILE 70 Cb 0.00 -4.29 0.46 0.00 0.01 0.00 0.00 42.46 38.64 2hgj s ILE 70 CO 0.00 0.50 1.15 -0.11 0.00 0.00 0.00 174.94 176.48 2hgj n LEU 71 N 1.54 4.05 0.00 2.97 0.00 -0.34 -4.87 117.00 120.35 2hgj n LEU 71 Ca -0.03 -4.42 0.00 0.00 0.00 0.00 0.00 56.01 51.56 2hgj n LEU 71 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 43.74 2hgj n LEU 71 CO 0.49 1.89 0.00 0.52 0.00 0.00 0.00 177.39 180.29 2hgj n VAL 72 N -0.62 0.00 -1.76 1.96 0.31 -1.26 -4.97 118.33 111.99 2hgj n VAL 72 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 2hgj n VAL 72 Cb 0.88 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 2hgj n VAL 72 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hgj n SER 73 N 5.12 0.00 -4.76 4.52 2.88 -1.26 -1.69 113.62 118.43 2hgj n SER 73 Ca 0.00 0.93 -0.33 0.00 -1.33 0.00 0.00 58.87 58.14 2hgj n SER 73 Cb 0.00 -1.40 -0.08 0.00 -0.75 0.00 0.00 64.21 61.98 2hgj n SER 73 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2hgj s LYS 74 N 0.00 2.19 -0.09 -1.46 0.00 -1.26 -0.48 119.74 118.64 2hgj s LYS 74 Ca 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 55.97 53.46 2hgj s LYS 74 Cb 0.00 -1.54 0.03 0.00 0.00 0.00 0.00 37.83 36.32 2hgj s LYS 74 CO 0.00 -0.35 0.33 -0.06 0.00 0.00 0.00 175.35 175.27 2hgj s PHE 75 N -2.87 -0.31 -0.03 1.78 0.40 -0.08 -4.93 117.98 111.93 2hgj s PHE 75 Ca 0.07 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.14 2hgj s PHE 75 Cb 0.02 0.12 0.01 0.00 0.51 0.00 0.00 43.02 43.67 2hgj s PHE 75 CO 0.04 -0.24 -0.08 0.15 0.70 0.00 0.00 175.22 175.79 2hgj s LYS 76 N -0.25 0.89 -0.25 0.44 1.02 -1.21 -1.04 119.74 119.33 2hgj s LYS 76 Ca -0.04 -0.25 -0.13 0.00 0.02 0.00 0.00 55.97 55.58 2hgj s LYS 76 Cb -0.03 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 2hgj s LYS 76 CO 0.02 0.07 0.26 0.00 -0.92 0.00 0.00 175.35 174.77 2hgj s ALA 77 N 0.34 3.57 -0.57 5.17 0.00 0.18 -4.79 121.76 125.66 2hgj s ALA 77 Ca -0.05 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.11 2hgj s ALA 77 Cb -0.09 -2.51 0.29 0.00 0.00 0.00 0.00 23.12 20.80 2hgj s ALA 77 CO 0.00 -0.43 0.79 1.17 0.00 0.00 0.00 175.76 177.29 2hgj n LYS 78 N 4.79 2.42 -1.96 0.00 0.00 -1.15 -1.08 118.16 121.18 2hgj n LYS 78 Ca -0.12 -4.46 -0.42 0.00 0.00 0.00 0.00 58.31 53.30 2hgj n LYS 78 Cb 0.52 -2.08 -0.03 0.00 0.00 0.00 0.00 35.03 33.43 2hgj n LYS 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2hgj s VAL 79 N -2.97 3.50 0.12 3.15 1.01 -0.03 -4.76 120.40 120.42 2hgj s VAL 79 Ca 0.42 0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 2hgj s VAL 79 Cb 0.21 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 33.26 2hgj s VAL 79 CO -0.07 -0.09 0.89 0.00 0.00 0.00 0.00 175.10 175.83 2hgj n GLN 80 N 7.33 -0.17 0.00 2.72 10.64 -1.26 -1.20 117.38 135.44 2hgj n GLN 80 Ca 0.18 0.88 0.00 0.00 -1.83 0.00 0.00 57.00 56.23 2hgj n GLN 80 Cb 0.43 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 2hgj n GLN 80 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2hgj n TYR 81 N -4.81 0.00 0.00 2.61 4.02 -1.26 -4.50 117.16 113.22 2hgj n TYR 81 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2hgj n TYR 81 Cb 0.21 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 2hgj n TYR 81 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2hgj n ARG 82 N -0.99 0.00 -3.95 -0.72 3.00 -0.45 -5.20 116.66 108.34 2hgj n ARG 82 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 2hgj n ARG 82 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.85 2hgj n ARG 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2hgj s ARG 83 N 0.00 1.87 -0.01 -0.14 3.00 -0.34 -4.99 118.95 118.35 2hgj s ARG 83 Ca 0.00 -1.40 -0.19 0.00 -1.00 0.00 0.00 55.73 53.13 2hgj s ARG 83 Cb 0.00 0.53 0.04 0.00 0.00 0.00 0.00 34.95 35.51 2hgj s ARG 83 CO 0.00 -0.82 0.42 -1.59 0.00 0.00 0.00 175.30 173.31 2hgj s LYS 84 N -3.27 0.83 -0.11 5.12 0.00 -1.18 -0.86 119.74 120.28 2hgj s LYS 84 Ca 0.21 -0.14 -0.29 0.00 0.00 0.00 0.00 55.97 55.75 2hgj s LYS 84 Cb -0.03 0.38 0.07 0.00 0.00 0.00 0.00 37.83 38.25 2hgj s LYS 84 CO 0.12 -0.25 0.68 -1.59 0.00 0.00 0.00 175.35 174.31 2hgj s LYS 85 N -1.63 0.99 -0.21 1.78 -2.85 -0.24 -4.89 119.74 112.68 2hgj s LYS 85 Ca -0.11 0.44 -0.13 0.00 -1.00 0.00 0.00 55.97 55.18 2hgj s LYS 85 Cb -0.03 0.47 0.07 0.00 -2.06 0.00 0.00 37.83 36.28 2hgj s LYS 85 CO 0.04 -0.27 0.52 0.20 0.10 0.00 0.00 175.35 175.94 2hgj s GLY 86 N -0.78 -0.44 0.39 0.59 0.00 -1.24 -0.64 107.32 105.20 2hgj s GLY 86 Ca -0.08 1.83 0.05 0.00 0.00 0.00 0.00 44.72 46.53 2hgj s GLY 86 CO 0.07 1.88 0.03 0.30 0.00 0.00 0.00 173.10 175.39 2hgj s HIS 87 N 1.34 2.27 -0.18 1.90 3.76 -0.21 -4.79 115.29 119.38 2hgj s HIS 87 Ca -0.08 -0.80 -0.09 0.00 -0.15 0.00 0.00 55.06 53.94 2hgj s HIS 87 Cb -0.07 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 2hgj s HIS 87 CO -0.13 0.27 0.11 0.50 -0.85 0.00 0.00 174.74 174.64 2hgj s ARG 88 N -3.78 3.96 -0.95 1.40 3.52 -1.26 -0.91 118.95 120.92 2hgj s ARG 88 Ca 0.33 -0.23 -0.21 0.00 -0.13 0.00 0.00 55.73 55.49 2hgj s ARG 88 Cb 0.09 -3.31 -0.26 0.00 -1.56 0.00 0.00 34.95 29.91 2hgj s ARG 88 CO 0.16 0.41 2.43 0.94 -0.81 0.00 0.00 175.30 178.43 2hgj n GLN 89 N 3.16 0.11 -3.57 5.12 7.27 0.37 -4.94 117.38 124.90 2hgj n GLN 89 Ca -0.17 -0.06 -0.40 0.00 0.07 0.00 0.00 57.00 56.44 2hgj n GLN 89 Cb 0.53 -1.57 -0.11 0.00 2.41 0.00 0.00 30.24 31.50 2hgj n GLN 89 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2hgj s PRO 90 N 8.11 3.35 -0.23 3.69 0.04 -1.26 -1.20 135.00 147.50 2hgj s PRO 90 Ca 1.29 -0.73 -0.19 0.00 0.04 0.00 0.00 61.00 61.41 2hgj s PRO 90 Cb -0.94 -3.75 0.06 0.00 0.04 0.00 0.00 34.50 29.92 2hgj s PRO 90 CO 0.48 -0.48 0.60 0.71 0.04 0.00 0.00 177.00 178.35 2hgj s TYR 91 N 1.67 -0.71 0.00 0.56 1.51 0.15 -4.95 117.35 115.58 2hgj s TYR 91 Ca 0.05 1.66 0.00 0.00 -1.01 0.00 0.00 57.07 57.77 2hgj s TYR 91 Cb -0.18 0.29 0.00 0.00 -0.11 0.00 0.00 41.96 41.96 2hgj s TYR 91 CO 0.09 -0.35 0.00 -2.37 -1.11 0.00 0.00 175.55 171.81 2hgj n THR 92 N 3.09 0.00 -3.60 -0.71 5.66 -1.25 -1.84 114.28 115.63 2hgj n THR 92 Ca -0.15 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 2hgj n THR 92 Cb 0.56 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 2hgj n THR 92 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2hgj s GLU 93 N -2.00 0.57 -0.15 1.09 -1.05 0.18 -3.48 118.70 113.86 2hgj s GLU 93 Ca 0.00 0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.89 2hgj s GLU 93 Cb 0.00 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2hgj s GLU 93 CO 0.00 -0.13 1.05 -0.51 0.95 0.00 0.00 175.26 176.62 2hgj s LEU 94 N -0.47 4.19 0.33 1.83 1.43 -1.25 -1.46 118.68 123.29 2hgj s LEU 94 Ca 0.00 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 2hgj s LEU 94 Cb -0.03 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 2hgj s LEU 94 CO -0.02 -0.55 0.61 -0.76 0.23 0.00 0.00 176.35 175.85 2hgj s LEU 95 N 2.53 3.98 0.05 1.79 1.43 0.15 -4.64 118.68 123.97 2hgj s LEU 95 Ca 0.48 0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 54.27 2hgj s LEU 95 Cb -0.18 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 2hgj s LEU 95 CO 0.14 -0.28 0.33 0.27 0.23 0.00 0.00 176.35 177.04 2hgj s ILE 96 N -2.22 5.21 -0.30 -0.59 -5.25 -1.26 -1.03 121.20 115.77 2hgj s ILE 96 Ca 0.45 0.25 -0.06 0.00 -0.99 0.00 0.00 60.65 60.29 2hgj s ILE 96 Cb -0.10 -3.61 0.02 0.00 2.95 0.00 0.00 42.46 41.72 2hgj s ILE 96 CO 0.32 0.29 0.06 -0.54 -1.79 0.00 0.00 174.94 173.28 2hgj s LYS 97 N -1.95 2.96 0.05 0.37 3.01 -0.10 -3.13 119.74 120.95 2hgj s LYS 97 Ca 0.31 -0.94 -0.31 0.00 -1.01 0.00 0.00 55.97 54.03 2hgj s LYS 97 Cb -0.13 -3.33 -0.06 0.00 -1.01 0.00 0.00 37.83 33.30 2hgj s LYS 97 CO 0.18 -0.48 1.34 -1.21 0.51 0.00 0.00 175.35 175.70 2hgj s GLU 98 N 1.45 4.33 -0.20 1.68 2.02 -0.93 -1.43 118.70 125.62 2hgj s GLU 98 Ca 0.01 1.95 0.01 0.00 0.02 0.00 0.00 54.97 56.97 2hgj s GLU 98 Cb -0.18 -3.41 0.03 0.00 0.10 0.00 0.00 34.13 30.68 2hgj s GLU 98 CO 0.01 -0.45 -0.17 0.42 0.02 0.00 0.00 175.26 175.10 2hgj s ILE 99 N 1.64 2.04 0.19 -1.63 1.01 -0.01 -4.68 121.20 119.75 2hgj s ILE 99 Ca 0.63 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2hgj s ILE 99 Cb -0.33 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2hgj s ILE 99 CO 0.28 0.37 0.00 0.54 0.00 0.00 0.00 174.94 176.13 2hgj n ARG 100 N 4.58 1.91 0.00 2.79 5.12 -1.26 -1.49 116.66 128.32 2hgj n ARG 100 Ca -0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 2hgj n ARG 100 Cb 0.48 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 2hgj n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11