#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n THR 3 N 0.00 0.00 -0.40 -0.18 -1.04 -1.26 -5.06 114.28 106.35 2hgj n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgj n THR 3 Cb 0.00 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 2hgj n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2hgj n TYR 4 N 0.00 0.00 -0.73 -1.42 4.02 -1.26 -5.10 117.16 112.67 2hgj n TYR 4 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 2hgj n TYR 4 Cb 0.00 -0.40 0.20 0.00 -0.02 0.00 0.00 39.34 39.12 2hgj n TYR 4 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2hgj s VAL 5 N -0.49 2.18 0.86 -0.72 -7.23 -1.26 -4.80 120.40 108.93 2hgj s VAL 5 Ca 0.00 0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.11 2hgj s VAL 5 Cb 0.00 -2.19 0.11 0.00 0.56 0.00 0.00 36.38 34.86 2hgj s VAL 5 CO 0.00 -0.08 1.09 -2.16 -0.31 0.00 0.00 175.10 173.65 2hgj s PRO 6 N -4.62 1.58 0.00 4.82 0.04 -1.26 -4.83 135.00 130.72 2hgj s PRO 6 Ca 0.67 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2hgj s PRO 6 Cb -0.23 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2hgj s PRO 6 CO 0.61 -2.01 0.00 0.36 0.04 0.00 0.00 177.00 176.00 2hgj n LYS 7 N -3.72 1.93 -3.88 4.56 -0.00 -1.26 -5.07 118.16 110.72 2hgj n LYS 7 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.28 2hgj n LYS 7 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.58 2hgj n LYS 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2hgj s GLN 8 N 0.00 2.05 -0.06 -1.58 -1.52 -1.26 -5.09 119.66 112.21 2hgj s GLN 8 Ca 0.00 -1.41 -0.15 0.00 -1.95 0.00 0.00 55.36 51.85 2hgj s GLN 8 Cb 0.00 0.58 -0.07 0.00 -0.22 0.00 0.00 33.01 33.30 2hgj s GLN 8 CO 0.00 -0.93 0.44 1.33 -0.25 0.00 0.00 175.29 175.88 2hgj n VAL 9 N -0.51 0.00 -3.15 1.09 0.24 -1.26 -4.92 118.33 109.81 2hgj n VAL 9 Ca -0.05 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.30 2hgj n VAL 9 Cb 0.60 -0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 32.90 2hgj n VAL 9 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2hgj s GLU 10 N 0.33 0.06 0.21 7.34 1.03 -1.26 -5.20 118.70 121.21 2hgj s GLU 10 Ca 0.34 0.09 -0.04 0.00 0.03 0.00 0.00 54.97 55.40 2hgj s GLU 10 Cb -0.48 0.05 0.05 0.00 -0.80 0.00 0.00 34.13 32.95 2hgj s GLU 10 CO 0.23 -0.07 0.17 -0.35 -1.33 0.00 0.00 175.26 173.92 2hgj n PRO 11 N 5.41 -1.63 0.00 -4.83 -0.04 -1.26 -4.94 135.00 127.72 2hgj n PRO 11 Ca -0.06 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 2hgj n PRO 11 Cb 0.55 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2hgj n PRO 11 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2hgj n ARG 12 N -2.19 0.00 -3.82 0.54 0.00 -1.26 -5.03 116.66 104.90 2hgj n ARG 12 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.61 2hgj n ARG 12 Cb 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 32.46 32.39 2hgj n ARG 12 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2hgj s TRP 13 N 0.00 1.16 -0.14 2.89 0.51 -1.25 -1.10 118.94 121.01 2hgj s TRP 13 Ca 0.00 -0.66 -0.04 0.00 -2.12 0.00 0.00 56.10 53.28 2hgj s TRP 13 Cb 0.00 -1.06 -0.03 0.00 -0.81 0.00 0.00 33.47 31.57 2hgj s TRP 13 CO 0.00 -0.50 0.01 0.08 -0.51 0.00 0.00 176.95 176.03 2hgj s VAL 14 N 1.81 4.36 -0.51 4.03 1.01 -0.32 0.82 120.40 131.60 2hgj s VAL 14 Ca 0.03 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2hgj s VAL 14 Cb -0.14 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.37 2hgj s VAL 14 CO -0.07 0.53 0.89 -0.76 0.00 0.00 0.00 175.10 175.69 2hgj s LEU 15 N -0.11 4.16 -0.22 3.92 1.43 0.55 -0.73 118.68 127.68 2hgj s LEU 15 Ca 0.05 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 2hgj s LEU 15 Cb -0.13 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2hgj s LEU 15 CO 0.02 -1.11 0.10 -0.63 0.23 0.00 0.00 176.35 174.95 2hgj s ILE 16 N 3.71 4.80 0.00 -0.59 1.09 -0.41 -1.45 121.20 128.34 2hgj s ILE 16 Ca 0.31 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.84 2hgj s ILE 16 Cb -0.12 -3.21 0.00 0.00 -1.06 0.00 0.00 42.46 38.06 2hgj s ILE 16 CO 0.21 0.38 0.79 -0.67 -0.10 0.00 0.00 174.94 175.55 2hgj n ASP 17 N 4.27 0.00 0.00 3.58 -0.08 -0.59 -1.76 116.55 121.97 2hgj n ASP 17 Ca -0.16 0.79 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 2hgj n ASP 17 Cb 0.52 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.66 2hgj n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hgj n ALA 18 N -2.30 0.00 -0.95 -1.67 0.00 -1.23 -3.19 120.51 111.16 2hgj n ALA 18 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2hgj n ALA 18 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2hgj n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hgj n GLU 19 N 0.00 0.00 -0.71 0.00 2.13 -0.17 -0.72 120.64 121.17 2hgj n GLU 19 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgj n GLU 19 Cb 0.00 -0.81 0.00 0.00 0.27 0.00 0.00 31.44 30.90 2hgj n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgj n GLY 20 N 2.23 0.03 3.84 8.31 0.00 -0.40 -4.93 105.19 114.27 2hgj n GLY 20 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2hgj n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgj s LYS 21 N -1.33 3.23 -0.26 1.61 1.02 0.10 -4.76 119.74 119.35 2hgj s LYS 21 Ca 0.00 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 2hgj s LYS 21 Cb 0.00 -2.96 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2hgj s LYS 21 CO 0.00 0.65 1.25 -0.08 -0.92 0.00 0.00 175.35 176.25 2hgj s THR 22 N -1.28 4.25 0.00 2.17 -1.32 -1.26 -0.91 115.64 117.29 2hgj s THR 22 Ca 0.26 1.46 0.00 0.00 -1.21 0.00 0.00 61.69 62.19 2hgj s THR 22 Cb -0.12 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.72 2hgj s THR 22 CO 0.17 -0.36 0.00 0.18 -2.21 0.00 0.00 174.62 172.40 2hgj n LEU 23 N 7.18 0.00 -0.32 9.08 4.77 -0.55 -1.20 117.00 135.95 2hgj n LEU 23 Ca 0.14 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.28 2hgj n LEU 23 Cb 0.46 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.87 2hgj n LEU 23 CO 0.60 0.00 0.88 1.23 -1.33 0.00 0.00 177.39 178.77 2hgj h GLY 24 N 0.00 1.38 0.96 -0.72 0.00 -1.89 -0.54 103.07 102.26 2hgj h GLY 24 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 2hgj h GLY 24 CO 0.00 -0.49 -0.18 0.07 0.00 0.00 0.00 176.54 175.94 2hgj h ARG 25 N 0.07 0.70 -0.67 4.80 -0.00 -1.97 -0.36 114.38 116.96 2hgj h ARG 25 Ca 0.60 -0.32 0.13 0.00 -0.00 0.00 0.00 59.98 60.40 2hgj h ARG 25 Cb 1.29 -0.02 -0.09 0.00 -0.00 0.00 0.00 29.97 31.15 2hgj h ARG 25 CO -0.81 0.92 0.18 1.25 -0.00 0.00 0.00 179.97 181.51 2hgj h LEU 26 N 0.47 0.06 0.00 0.08 5.85 0.23 -0.76 115.31 121.24 2hgj h LEU 26 Ca 0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2hgj h LEU 26 Cb 0.72 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2hgj h LEU 26 CO 0.05 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 2hgj n ALA 27 N -2.60 -0.06 -0.15 1.25 0.00 -0.35 -0.94 120.51 117.67 2hgj n ALA 27 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2hgj n ALA 27 Cb 0.38 0.18 0.24 0.00 0.00 0.00 0.00 19.45 20.25 2hgj n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2hgj n THR 28 N -1.27 -0.19 0.00 0.00 5.66 -0.21 0.18 114.28 118.44 2hgj n THR 28 Ca 0.00 0.95 0.00 0.00 -3.05 0.00 0.00 64.05 61.95 2hgj n THR 28 Cb 0.00 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 2hgj n THR 28 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2hgj n LYS 29 N -4.13 0.00 -0.29 1.09 5.02 -0.34 -1.10 118.16 118.40 2hgj n LYS 29 Ca 0.16 0.09 0.27 0.00 -2.02 0.00 0.00 58.31 56.81 2hgj n LYS 29 Cb 0.54 -1.03 0.50 0.00 -0.02 0.00 0.00 35.03 35.03 2hgj n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2hgj n ILE 30 N -0.65 -0.38 0.00 -0.18 -0.00 0.47 -0.75 119.36 117.87 2hgj n ILE 30 Ca 0.00 1.87 0.00 0.00 -0.00 0.00 0.00 62.75 64.62 2hgj n ILE 30 Cb 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 39.64 36.65 2hgj n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2hgj n ALA 31 N -2.44 0.00 0.22 -1.39 0.00 0.58 -1.04 120.51 116.45 2hgj n ALA 31 Ca 0.33 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.92 2hgj n ALA 31 Cb 1.11 0.20 0.80 0.00 0.00 0.00 0.00 19.45 21.57 2hgj n ALA 31 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2hgj h THR 32 N 0.00 0.61 -0.18 0.00 2.02 0.68 -1.82 112.91 114.23 2hgj h THR 32 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2hgj h THR 32 Cb 0.00 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 2hgj h THR 32 CO 0.00 0.00 -0.10 0.25 0.37 0.00 0.00 175.52 176.04 2hgj h LEU 33 N 0.00 -0.34 -4.55 2.58 7.12 0.02 0.25 115.31 120.39 2hgj h LEU 33 Ca 0.06 0.08 -0.09 0.00 0.13 0.00 0.00 57.88 58.06 2hgj h LEU 33 Cb 0.31 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 2hgj h LEU 33 CO -0.00 -0.14 0.11 0.18 -0.13 0.00 0.00 178.44 178.47 2hgj n LEU 34 N -5.26 2.47 0.00 2.25 4.32 -0.21 -3.32 117.00 117.25 2hgj n LEU 34 Ca -0.02 -1.76 0.00 0.00 -0.02 0.00 0.00 56.01 54.20 2hgj n LEU 34 Cb 0.18 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 2hgj n LEU 34 CO 0.22 0.53 0.00 0.54 -1.22 0.00 0.00 177.39 177.46 2hgj n ARG 35 N 2.79 0.00 0.00 3.23 1.74 0.88 -4.18 116.66 121.12 2hgj n ARG 35 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2hgj n ARG 35 Cb 0.43 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 2hgj n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgj n GLY 36 N 0.00 2.22 2.68 -0.13 0.00 -1.25 -3.54 105.19 105.16 2hgj n GLY 36 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2hgj n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hgj s LYS 37 N -0.15 0.50 0.00 1.61 2.20 -1.26 -1.91 119.74 120.73 2hgj s LYS 37 Ca 0.00 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 2hgj s LYS 37 Cb 0.00 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 2hgj s LYS 37 CO 0.00 -1.14 0.00 1.58 -0.36 0.00 0.00 175.35 175.43 2hgj n HIS 38 N 4.56 0.00 -3.80 4.03 -0.00 -1.26 -4.92 115.22 113.82 2hgj n HIS 38 Ca 0.07 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.88 2hgj n HIS 38 Cb 0.44 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.24 2hgj n HIS 38 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2hgj s ARG 39 N -0.28 3.64 0.40 1.57 3.52 -1.26 -5.05 118.95 121.49 2hgj s ARG 39 Ca 0.00 -0.08 -0.07 0.00 -0.13 0.00 0.00 55.73 55.45 2hgj s ARG 39 Cb 0.00 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 30.09 2hgj s ARG 39 CO 0.00 0.67 -0.34 -0.35 -0.81 0.00 0.00 175.30 174.47 2hgj n PRO 40 N 2.28 0.00 -1.87 5.12 -0.04 -1.26 -3.34 135.00 135.89 2hgj n PRO 40 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 2hgj n PRO 40 Cb 0.54 -0.40 -0.02 0.00 -0.04 0.00 0.00 33.50 33.58 2hgj n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2hgj n ASP 41 N 1.40 -3.09 -4.55 3.54 8.00 -1.26 -4.84 116.55 115.76 2hgj n ASP 41 Ca -0.01 0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.51 2hgj n ASP 41 Cb 0.23 -2.81 -0.08 0.00 -0.02 0.00 0.00 41.12 38.44 2hgj n ASP 41 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2hgj n TRP 42 N -2.47 1.10 0.00 1.24 2.14 -1.21 -4.67 117.44 113.57 2hgj n TRP 42 Ca -0.11 0.05 0.00 0.00 2.07 0.00 0.00 57.50 59.51 2hgj n TRP 42 Cb 0.47 -2.41 0.00 0.00 -0.81 0.00 0.00 31.31 28.55 2hgj n TRP 42 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2hgj n THR 43 N 8.16 0.00 0.00 -1.67 -2.24 -0.63 -4.52 114.28 113.38 2hgj n THR 43 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2hgj n THR 43 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2hgj n THR 43 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2hgj n PRO 44 N 0.00 0.00 0.00 -0.78 -0.04 -1.26 -1.05 135.00 131.87 2hgj n PRO 44 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2hgj n PRO 44 Cb 0.00 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.34 2hgj n PRO 44 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hgj n ASN 45 N 0.00 0.00 0.00 3.54 4.13 -1.26 -4.84 115.26 116.83 2hgj n ASN 45 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2hgj n ASN 45 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2hgj n ASN 45 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2hgj n VAL 46 N 0.06 0.00 -0.15 2.41 0.31 -0.22 -5.12 118.33 115.62 2hgj n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2hgj n VAL 46 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2hgj n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgj n ALA 47 N -1.00 0.00 0.00 3.52 0.00 -1.21 -1.61 120.51 120.21 2hgj n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2hgj n MET 48 N -0.25 0.00 -2.30 0.00 1.56 -1.19 -3.93 117.12 111.01 2hgj n MET 48 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 2hgj n MET 48 Cb 0.00 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.36 2hgj n MET 48 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2hgj n GLY 49 N 0.00 -0.35 0.00 -5.12 0.00 -1.23 -4.15 105.19 94.34 2hgj n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hgj n ASP 50 N -1.38 0.00 -4.58 1.61 -0.08 -1.21 -4.41 116.55 106.49 2hgj n ASP 50 Ca -0.07 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.80 2hgj n ASP 50 Cb 0.51 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 2hgj n ASP 50 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2hgj s PHE 51 N 0.00 1.67 -0.13 -0.67 0.40 -0.26 -4.51 117.98 114.48 2hgj s PHE 51 Ca 0.00 0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 57.04 2hgj s PHE 51 Cb 0.00 -4.06 -0.03 0.00 0.51 0.00 0.00 43.02 39.44 2hgj s PHE 51 CO 0.00 -2.80 -0.01 0.54 0.70 0.00 0.00 175.22 173.65 2hgj s VAL 52 N 8.00 4.13 0.02 -0.44 0.11 -0.34 -1.18 120.40 130.69 2hgj s VAL 52 Ca 0.79 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.60 2hgj s VAL 52 Cb -0.20 -2.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.85 2hgj s VAL 52 CO 0.30 0.53 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.76 2hgj s VAL 53 N -0.13 1.15 0.30 2.04 1.01 0.09 -1.10 120.40 123.76 2hgj s VAL 53 Ca 0.04 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 2hgj s VAL 53 Cb -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2hgj s VAL 53 CO 0.02 0.17 0.56 0.54 0.00 0.00 0.00 175.10 176.39 2hgj s VAL 54 N -0.60 0.00 0.25 2.92 0.11 -0.35 -1.29 120.40 121.44 2hgj s VAL 54 Ca 0.04 -1.34 -0.20 0.00 -2.93 0.00 0.00 61.98 57.55 2hgj s VAL 54 Cb -0.07 -2.41 0.07 0.00 -1.53 0.00 0.00 36.38 32.44 2hgj s VAL 54 CO 0.00 0.00 0.95 -0.69 -3.33 0.00 0.00 175.10 172.04 2hgj s VAL 55 N -3.47 0.00 -0.54 2.04 1.01 -0.72 -1.22 120.40 117.50 2hgj s VAL 55 Ca 0.22 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2hgj s VAL 55 Cb -0.02 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2hgj s VAL 55 CO 0.12 0.00 0.11 0.59 0.00 0.00 0.00 175.10 175.92 2hgj n ASN 56 N -1.24 -2.84 0.20 3.32 3.02 0.11 -2.55 115.26 115.29 2hgj n ASN 56 Ca -0.05 -0.05 0.07 0.00 -0.03 0.00 0.00 54.58 54.52 2hgj n ASN 56 Cb 0.60 -1.94 0.38 0.00 -0.61 0.00 0.00 39.78 38.20 2hgj n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgj h ALA 57 N 0.32 1.00 0.00 5.41 0.00 -1.57 -0.39 119.26 124.04 2hgj h ALA 57 Ca -0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2hgj h ALA 57 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2hgj h ALA 57 CO 0.19 0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 2hgj n ASP 58 N -3.47 0.91 -1.14 0.00 5.75 -0.90 0.90 116.55 118.59 2hgj n ASP 58 Ca -0.00 -0.81 -0.05 0.00 -0.01 0.00 0.00 54.79 53.92 2hgj n ASP 58 Cb 0.48 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 2hgj n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2hgj n LYS 59 N 0.61 0.19 -1.62 0.11 5.02 -1.14 -5.00 118.16 116.32 2hgj n LYS 59 Ca 0.00 -0.77 -0.31 0.00 -2.02 0.00 0.00 58.31 55.21 2hgj n LYS 59 Cb 0.16 0.47 0.06 0.00 -0.02 0.00 0.00 35.03 35.70 2hgj n LYS 59 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2hgj s ILE 60 N 0.02 3.81 -0.05 -0.18 1.01 0.26 -1.28 121.20 124.78 2hgj s ILE 60 Ca 0.01 0.59 -0.13 0.00 0.00 0.00 0.00 60.65 61.12 2hgj s ILE 60 Cb 0.06 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2hgj s ILE 60 CO -0.02 -0.77 0.34 -0.60 0.00 0.00 0.00 174.94 173.89 2hgj s ARG 61 N -5.11 3.86 0.00 2.79 3.52 -0.09 -4.82 118.95 119.11 2hgj s ARG 61 Ca 0.58 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.44 2hgj s ARG 61 Cb -0.14 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2hgj s ARG 61 CO 0.54 0.64 0.00 0.28 -0.81 0.00 0.00 175.30 175.95 2hgj n VAL 62 N 2.13 0.00 -1.18 7.11 0.31 -1.26 -1.48 118.33 123.96 2hgj n VAL 62 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2hgj n VAL 62 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2hgj n VAL 62 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2hgj n THR 63 N 0.00 0.00 -0.24 2.52 -2.24 -1.26 -3.77 114.28 109.29 2hgj n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgj n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2hgj n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgj n GLY 64 N 0.00 0.90 0.00 3.38 0.00 -1.26 -5.00 105.19 103.21 2hgj n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgj n LYS 65 N -2.00 0.00 -1.97 1.61 4.01 -1.26 -5.06 118.16 113.49 2hgj n LYS 65 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2hgj n LYS 65 Cb 0.00 -0.47 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 2hgj n LYS 65 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2hgj n LYS 66 N -0.14 -4.30 -0.90 1.97 5.02 -1.26 -4.88 118.16 113.67 2hgj n LYS 66 Ca 0.00 3.03 0.10 0.00 -2.02 0.00 0.00 58.31 59.42 2hgj n LYS 66 Cb 0.00 -3.41 -0.06 0.00 -0.02 0.00 0.00 35.03 31.54 2hgj n LYS 66 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2hgj n LEU 67 N 1.87 -0.68 -1.36 -0.35 4.77 -1.26 -4.88 117.00 115.11 2hgj n LEU 67 Ca 0.00 1.53 -0.13 0.00 -0.03 0.00 0.00 56.01 57.38 2hgj n LEU 67 Cb 0.00 -1.85 -0.02 0.00 -2.33 0.00 0.00 43.42 39.22 2hgj n LEU 67 CO 0.00 -1.25 -0.16 -0.62 -1.33 0.00 0.00 177.39 174.03 2hgj n GLU 68 N -3.35 -1.01 -3.31 3.23 1.02 -1.26 -4.95 120.64 111.01 2hgj n GLU 68 Ca -0.06 0.73 -0.11 0.00 -0.02 0.00 0.00 57.16 57.71 2hgj n GLU 68 Cb 0.41 -4.91 -0.06 0.00 -0.02 0.00 0.00 31.44 26.87 2hgj n GLU 68 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2hgj s GLN 69 N -4.23 0.61 -0.17 3.49 1.11 -1.26 -5.09 119.66 114.13 2hgj s GLN 69 Ca 0.00 -0.43 0.01 0.00 0.01 0.00 0.00 55.36 54.95 2hgj s GLN 69 Cb 0.00 -0.41 0.02 0.00 -1.01 0.00 0.00 33.01 31.61 2hgj s GLN 69 CO 0.00 -1.15 -0.16 0.15 0.01 0.00 0.00 175.29 174.14 2hgj s LYS 70 N 1.86 2.57 0.40 2.91 -0.14 -1.26 -1.43 119.74 124.65 2hgj s LYS 70 Ca 0.14 -0.71 -0.27 0.00 -1.36 0.00 0.00 55.97 53.77 2hgj s LYS 70 Cb -0.12 -2.34 -0.10 0.00 -1.68 0.00 0.00 37.83 33.59 2hgj s LYS 70 CO -0.12 -0.25 1.41 0.42 -0.76 0.00 0.00 175.35 176.05 2hgj s ILE 71 N 1.39 2.24 -0.25 2.17 -1.09 0.48 -4.62 121.20 121.51 2hgj s ILE 71 Ca 0.04 0.23 -0.07 0.00 -2.23 0.00 0.00 60.65 58.62 2hgj s ILE 71 Cb -0.13 -3.14 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 2hgj s ILE 71 CO -0.11 0.04 0.06 -0.47 -1.23 0.00 0.00 174.94 173.23 2hgj s TYR 72 N -1.17 3.08 -0.49 3.97 5.04 -1.26 -1.09 117.35 125.43 2hgj s TYR 72 Ca 0.56 -0.53 0.04 0.00 -2.44 0.00 0.00 57.07 54.70 2hgj s TYR 72 Cb -0.43 -2.23 0.16 0.00 0.35 0.00 0.00 41.96 39.81 2hgj s TYR 72 CO 0.57 -0.40 0.36 0.99 -1.34 0.00 0.00 175.55 175.73 2hgj s THR 73 N 1.59 1.10 -1.04 4.34 2.01 -0.49 -5.04 115.64 118.11 2hgj s THR 73 Ca 0.06 -3.00 -0.06 0.00 0.31 0.00 0.00 61.69 59.00 2hgj s THR 73 Cb -0.15 -1.75 0.26 0.00 0.01 0.00 0.00 72.50 70.87 2hgj s THR 73 CO 0.03 -1.13 1.00 -1.14 -0.69 0.00 0.00 174.62 172.69 2hgj n ARG 74 N 2.77 3.22 -0.20 4.92 0.63 -1.20 -4.11 116.66 122.69 2hgj n ARG 74 Ca 0.24 -4.47 -0.10 0.00 -0.92 0.00 0.00 57.85 52.60 2hgj n ARG 74 Cb 0.42 -2.50 0.02 0.00 0.45 0.00 0.00 32.46 30.85 2hgj n ARG 74 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2hgj h TYR 75 N 6.38 1.13 -0.82 -0.14 -1.99 -1.91 -3.48 116.97 116.15 2hgj h TYR 75 Ca 0.17 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2hgj h TYR 75 Cb 0.84 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.28 2hgj h TYR 75 CO 0.74 1.02 0.00 0.43 -0.00 0.00 0.00 178.16 180.35 2hgj n SER 76 N -4.19 0.00 -1.21 3.88 7.64 -1.26 -4.58 113.62 113.90 2hgj n SER 76 Ca 0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2hgj n SER 76 Cb 0.36 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2hgj n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hgj n GLY 77 N 0.29 1.75 0.97 0.23 0.00 -1.26 -4.85 105.19 102.31 2hgj n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgj n TYR 78 N 0.95 -2.65 -4.35 1.61 4.01 -1.26 -4.64 117.16 110.83 2hgj n TYR 78 Ca 0.00 1.43 -0.35 0.00 -0.16 0.00 0.00 57.90 58.81 2hgj n TYR 78 Cb 0.39 -2.45 -0.07 0.00 -0.31 0.00 0.00 39.34 36.90 2hgj n TYR 78 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2hgj n PRO 79 N -1.70 -1.44 -3.43 -0.72 -0.02 -1.26 -4.81 135.00 121.62 2hgj n PRO 79 Ca 0.00 0.18 -0.25 0.00 -2.02 0.00 0.00 63.50 61.42 2hgj n PRO 79 Cb 0.18 -4.31 -0.11 0.00 -0.02 0.00 0.00 33.50 29.24 2hgj n PRO 79 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2hgj s GLY 80 N -3.82 0.52 0.00 -1.23 0.00 -1.26 -5.09 107.32 96.44 2hgj s GLY 80 Ca 0.41 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2hgj s GLY 80 CO 0.99 2.32 0.00 0.61 0.00 0.00 0.00 173.10 177.02 2hgj n GLY 81 N 4.17 0.00 1.19 0.20 0.00 -1.26 -4.52 105.19 104.97 2hgj n GLY 81 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2hgj n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgj n LEU 82 N 0.00 3.83 -2.39 0.99 4.77 -1.26 -4.75 117.00 118.19 2hgj n LEU 82 Ca 0.00 -1.85 -0.00 0.00 -0.03 0.00 0.00 56.01 54.13 2hgj n LEU 82 Cb 0.00 -0.69 -0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2hgj n LEU 82 CO 0.00 0.67 -0.06 0.29 -1.33 0.00 0.00 177.39 176.97 2hgj n LYS 83 N 0.72 -0.92 -3.66 3.23 5.02 -1.26 -2.20 118.16 119.09 2hgj n LYS 83 Ca 0.02 0.77 -0.39 0.00 -2.02 0.00 0.00 58.31 56.69 2hgj n LYS 83 Cb 0.54 -1.04 -0.12 0.00 -0.02 0.00 0.00 35.03 34.39 2hgj n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hgj s LYS 84 N -0.06 3.10 -0.22 1.97 1.02 -1.26 -1.39 119.74 122.90 2hgj s LYS 84 Ca -0.01 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.12 2hgj s LYS 84 Cb 0.00 -3.57 0.05 0.00 -0.52 0.00 0.00 37.83 33.79 2hgj s LYS 84 CO 0.03 -0.52 -0.12 0.42 -0.92 0.00 0.00 175.35 174.24 2hgj s ILE 85 N 1.56 1.91 0.60 2.17 1.09 -0.25 -4.95 121.20 123.33 2hgj s ILE 85 Ca 0.03 -1.24 -0.16 0.00 -1.10 0.00 0.00 60.65 58.18 2hgj s ILE 85 Cb -0.18 -1.95 -0.03 0.00 -1.06 0.00 0.00 42.46 39.24 2hgj s ILE 85 CO 0.05 0.15 1.09 -2.84 -0.10 0.00 0.00 174.94 173.29 2hgj s PRO 86 N 1.27 3.17 0.32 2.79 0.02 -1.26 -0.39 135.00 140.91 2hgj s PRO 86 Ca -0.03 1.35 0.05 0.00 0.02 0.00 0.00 61.00 62.39 2hgj s PRO 86 Cb -0.17 -2.00 0.85 0.00 0.02 0.00 0.00 34.50 33.20 2hgj s PRO 86 CO -0.08 -0.95 1.58 1.37 -0.33 0.00 0.00 177.00 178.59 2hgj h LEU 87 N 0.50 -0.32 -0.78 -5.54 -0.00 -1.61 -0.16 115.31 107.39 2hgj h LEU 87 Ca -0.48 0.27 0.10 0.00 -0.00 0.00 0.00 57.88 57.77 2hgj h LEU 87 Cb 1.24 0.44 -0.12 0.00 -0.00 0.00 0.00 40.66 42.22 2hgj h LEU 87 CO 0.56 -0.36 -0.50 -0.33 -0.00 0.00 0.00 178.44 177.81 2hgj h GLU 88 N 0.02 -0.13 0.00 0.17 3.07 -1.92 0.20 114.58 115.99 2hgj h GLU 88 Ca 0.64 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.37 2hgj h GLU 88 Cb 1.39 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.31 2hgj h GLU 88 CO -0.88 -0.08 -0.75 1.57 -1.40 0.00 0.00 179.01 177.46 2hgj h LYS 89 N -0.13 0.00 -0.36 2.33 -0.00 -1.90 -0.61 116.57 115.91 2hgj h LYS 89 Ca 0.19 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.87 2hgj h LYS 89 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.71 2hgj h LYS 89 CO -0.82 0.60 -0.21 -1.33 -0.00 0.00 0.00 179.45 177.69 2hgj n MET 90 N -3.21 -0.16 0.21 0.07 2.81 0.54 -0.72 117.12 116.66 2hgj n MET 90 Ca -0.00 0.99 -0.13 0.00 -1.81 0.00 0.00 57.70 56.74 2hgj n MET 90 Cb 0.80 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 31.77 2hgj n MET 90 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 2hgj h LEU 91 N 0.00 -0.47 -0.90 4.03 -0.00 -1.16 -0.04 115.31 116.77 2hgj h LEU 91 Ca 0.06 -0.11 0.30 0.00 -0.00 0.00 0.00 57.88 58.12 2hgj h LEU 91 Cb 0.15 0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 40.85 2hgj h LEU 91 CO -0.33 -0.10 0.60 0.00 -0.00 0.00 0.00 178.44 178.60 2hgj n ALA 92 N -2.54 0.89 -0.01 0.17 0.00 -0.24 -2.27 120.51 116.51 2hgj n ALA 92 Ca -0.10 0.50 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 2hgj n ALA 92 Cb 0.29 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 2hgj n ALA 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgj n THR 93 N -3.75 0.09 -3.17 0.00 -1.04 0.10 -4.93 114.28 101.58 2hgj n THR 93 Ca 0.25 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.05 62.02 2hgj n THR 93 Cb 1.00 -0.57 -0.04 0.00 -1.82 0.00 0.00 70.33 68.90 2hgj n THR 93 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2hgj n HIS 94 N -2.53 0.65 -0.18 -1.42 8.25 -0.04 -4.97 115.22 114.98 2hgj n HIS 94 Ca -0.03 -3.81 -0.07 0.00 -0.26 0.00 0.00 57.72 53.56 2hgj n HIS 94 Cb 0.53 -0.42 0.03 0.00 1.12 0.00 0.00 29.99 31.25 2hgj n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2hgj h PRO 95 N 3.17 0.70 -0.15 -0.41 0.13 -1.33 -0.34 132.00 133.77 2hgj h PRO 95 Ca 0.10 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.23 2hgj h PRO 95 Cb 0.89 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 2hgj h PRO 95 CO 0.54 0.46 -0.16 1.05 -0.23 0.00 0.00 178.00 179.67 2hgj h GLU 96 N 0.72 -0.18 -0.01 0.86 9.09 -1.89 0.24 114.58 123.41 2hgj h GLU 96 Ca 0.20 0.01 0.02 0.00 0.05 0.00 0.00 59.36 59.65 2hgj h GLU 96 Cb -0.07 0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.04 2hgj h GLU 96 CO -0.05 -0.12 -0.15 0.00 0.05 0.00 0.00 179.01 178.75 2hgj h ARG 97 N -0.18 -0.23 0.00 1.06 2.47 -1.85 -0.61 114.38 115.04 2hgj h ARG 97 Ca 0.10 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2hgj h ARG 97 Cb 0.33 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2hgj h ARG 97 CO -0.26 -0.15 0.00 0.28 0.56 0.00 0.00 179.97 180.40 2hgj n VAL 98 N -5.28 0.00 -0.31 2.04 0.31 0.77 0.39 118.33 116.25 2hgj n VAL 98 Ca -0.05 0.80 0.06 0.00 -0.01 0.00 0.00 64.34 65.15 2hgj n VAL 98 Cb 0.20 -1.07 0.22 0.00 -0.91 0.00 0.00 33.84 32.28 2hgj n VAL 98 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 2hgj h LEU 99 N 0.00 0.69 0.00 7.52 8.10 -1.23 -0.67 115.31 129.72 2hgj h LEU 99 Ca 0.00 0.07 0.00 0.00 0.11 0.00 0.00 57.88 58.06 2hgj h LEU 99 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 2hgj h LEU 99 CO 0.00 0.34 0.00 -0.62 -4.11 0.00 0.00 178.44 174.05 2hgj n GLU 100 N -4.77 0.00 -0.32 0.17 -0.58 1.28 0.12 120.64 116.54 2hgj n GLU 100 Ca 0.17 0.87 0.26 0.00 -0.42 0.00 0.00 57.16 58.04 2hgj n GLU 100 Cb 0.38 -1.34 0.49 0.00 -0.57 0.00 0.00 31.44 30.40 2hgj n GLU 100 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2hgj n HIS 101 N -2.64 0.98 0.43 -0.32 -0.00 0.13 0.20 115.22 114.00 2hgj n HIS 101 Ca 0.00 1.16 -0.19 0.00 0.46 0.00 0.00 57.72 59.14 2hgj n HIS 101 Cb 0.00 -1.45 -0.09 0.00 -0.12 0.00 0.00 29.99 28.32 2hgj n HIS 101 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hgj h ALA 102 N 1.95 -1.28 -0.98 1.57 0.00 0.16 0.57 119.26 121.25 2hgj h ALA 102 Ca 0.76 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.55 2hgj h ALA 102 Cb 1.89 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 20.12 2hgj h ALA 102 CO -0.80 -1.23 -0.45 -0.39 0.00 0.00 0.00 179.25 176.38 2hgj h VAL 103 N -1.19 0.01 0.13 0.00 -1.51 0.40 0.92 116.25 115.01 2hgj h VAL 103 Ca -0.11 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2hgj h VAL 103 Cb 0.94 0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 30.07 2hgj h VAL 103 CO 0.12 0.00 -0.47 0.11 -1.23 0.00 0.00 177.57 176.10 2hgj h LYS 104 N -0.01 -0.66 -0.39 5.19 1.79 -0.75 0.53 116.57 122.26 2hgj h LYS 104 Ca 0.28 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.92 2hgj h LYS 104 Cb 0.54 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.27 2hgj h LYS 104 CO -0.96 -0.44 0.08 0.41 -1.08 0.00 0.00 179.45 177.46 2hgj n GLY 105 N -1.44 -0.44 0.13 3.86 0.00 0.31 0.13 105.19 107.75 2hgj n GLY 105 Ca -0.08 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 2hgj n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hgj n MET 106 N -4.19 0.72 -1.67 1.61 2.81 -0.41 -4.92 117.12 111.07 2hgj n MET 106 Ca 0.11 0.23 -0.49 0.00 -1.81 0.00 0.00 57.70 55.75 2hgj n MET 106 Cb 0.37 -1.67 -0.05 0.00 -0.71 0.00 0.00 33.22 31.16 2hgj n MET 106 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2hgj n LEU 107 N -3.38 3.10 0.00 4.03 0.00 0.35 -4.97 117.00 116.14 2hgj n LEU 107 Ca -0.34 1.03 -0.17 0.00 0.00 0.00 0.00 56.01 56.53 2hgj n LEU 107 Cb 1.04 -1.35 0.04 0.00 0.00 0.00 0.00 43.42 43.14 2hgj n LEU 107 CO 0.39 -0.24 0.23 -0.81 0.00 0.00 0.00 177.39 176.96 2hgj n PRO 108 N 5.18 0.73 0.00 1.96 -0.04 -1.26 -4.84 135.00 136.72 2hgj n PRO 108 Ca 0.21 -2.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 2hgj n PRO 108 Cb 0.27 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 2hgj n PRO 108 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2hgj n LYS 109 N -1.87 0.00 0.00 0.54 3.00 -1.26 -1.77 118.16 116.80 2hgj n LYS 109 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2hgj n LYS 109 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.51 2hgj n LYS 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgj n GLY 110 N -0.11 0.85 0.36 3.14 0.00 -1.26 -4.67 105.19 103.50 2hgj n GLY 110 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2hgj n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgj h PRO 111 N 0.00 0.86 0.00 1.61 0.13 -1.98 -0.78 132.00 131.84 2hgj h PRO 111 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2hgj h PRO 111 Cb 0.00 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 30.93 2hgj h PRO 111 CO 0.00 0.57 0.00 1.28 -0.23 0.00 0.00 178.00 179.62 2hgj n LEU 112 N -4.67 0.55 -0.23 1.56 4.77 -1.26 -1.07 117.00 116.65 2hgj n LEU 112 Ca 0.21 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.76 2hgj n LEU 112 Cb 0.45 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2hgj n LEU 112 CO 0.25 -0.32 0.37 0.61 -1.33 0.00 0.00 177.39 176.97 2hgj n GLY 113 N 0.72 -1.16 0.00 -0.72 0.00 -0.73 0.06 105.19 103.36 2hgj n GLY 113 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2hgj n GLY 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgj n ARG 114 N -4.92 0.00 -0.24 1.61 0.63 -0.30 0.24 116.66 113.67 2hgj n ARG 114 Ca 0.07 0.61 0.32 0.00 -0.92 0.00 0.00 57.85 57.94 2hgj n ARG 114 Cb 0.26 -1.07 0.69 0.00 0.45 0.00 0.00 32.46 32.80 2hgj n ARG 114 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgj h ARG 115 N 0.00 0.00 -0.04 -0.14 3.08 0.13 0.60 114.38 118.00 2hgj h ARG 115 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2hgj h ARG 115 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2hgj h ARG 115 CO 0.00 0.00 0.01 1.25 -1.07 0.00 0.00 179.97 180.16 2hgj h LEU 116 N 0.00 0.07 -1.49 3.04 5.85 0.53 -0.09 115.31 123.23 2hgj h LEU 116 Ca 0.50 -0.27 0.17 0.00 0.84 0.00 0.00 57.88 59.13 2hgj h LEU 116 Cb 2.31 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 43.26 2hgj h LEU 116 CO -0.01 0.32 0.56 -0.26 -0.34 0.00 0.00 178.44 178.72 2hgj h PHE 117 N -0.18 0.57 0.19 1.25 0.05 0.21 1.18 116.94 120.21 2hgj h PHE 117 Ca 0.01 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.83 2hgj h PHE 117 Cb 0.28 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 38.02 2hgj h PHE 117 CO 0.02 0.19 -0.31 0.87 -0.18 0.00 0.00 178.31 178.89 2hgj h LYS 118 N 0.47 -0.56 0.00 1.51 1.57 -0.24 0.61 116.57 119.93 2hgj h LYS 118 Ca 0.43 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2hgj h LYS 118 Cb 0.96 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2hgj h LYS 118 CO -0.16 -0.37 0.00 0.54 -0.57 0.00 0.00 179.45 178.89 2hgj n ARG 119 N -5.42 0.16 -4.39 3.15 1.74 0.37 -4.49 116.66 107.78 2hgj n ARG 119 Ca -0.08 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.73 2hgj n ARG 119 Cb 0.33 -1.15 -0.17 0.00 -1.02 0.00 0.00 32.46 30.45 2hgj n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2hgj s LEU 120 N -1.30 1.66 -0.14 0.55 2.96 0.21 -1.20 118.68 121.42 2hgj s LEU 120 Ca 0.02 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 2hgj s LEU 120 Cb 0.01 -1.04 0.04 0.00 0.50 0.00 0.00 46.19 45.71 2hgj s LEU 120 CO 0.02 0.00 0.36 -0.54 -1.32 0.00 0.00 176.35 174.87 2hgj s LYS 121 N 1.05 0.38 0.04 1.98 1.02 -0.26 -4.81 119.74 119.14 2hgj s LYS 121 Ca -0.06 0.60 -0.08 0.00 0.02 0.00 0.00 55.97 56.44 2hgj s LYS 121 Cb -0.15 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 2hgj s LYS 121 CO -0.02 -0.10 0.17 0.54 -0.92 0.00 0.00 175.35 175.02 2hgj s VAL 122 N 0.71 0.11 -0.32 3.17 0.11 -1.26 -1.21 120.40 121.72 2hgj s VAL 122 Ca -0.04 -0.93 0.18 0.00 -2.93 0.00 0.00 61.98 58.26 2hgj s VAL 122 Cb -0.05 -0.87 0.46 0.00 -1.53 0.00 0.00 36.38 34.38 2hgj s VAL 122 CO -0.05 -0.51 0.98 -1.22 -3.33 0.00 0.00 175.10 170.97 2hgj n TYR 123 N 0.76 1.33 0.00 1.54 4.01 -0.36 -4.90 117.16 119.54 2hgj n TYR 123 Ca -0.19 -2.72 0.00 0.00 -0.16 0.00 0.00 57.90 54.82 2hgj n TYR 123 Cb 0.59 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2hgj n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hgj n ALA 124 N -0.16 0.00 -0.78 -0.72 0.00 -1.26 -4.13 120.51 113.45 2hgj n ALA 124 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 2hgj n ALA 124 Cb 0.81 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.33 2hgj n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 125 N -0.32 -2.37 0.00 0.00 0.00 -1.26 0.09 105.19 101.32 2hgj n GLY 125 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2hgj n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgj n PRO 126 N -1.71 0.00 0.00 1.61 -0.04 -1.26 -2.40 135.00 131.20 2hgj n PRO 126 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2hgj n PRO 126 Cb 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 2hgj n PRO 126 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2hgj n ASP 127 N -0.20 0.00 -0.30 3.54 5.68 -1.26 -4.18 116.55 119.83 2hgj n ASP 127 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 2hgj n ASP 127 Cb 0.00 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.25 2hgj n ASP 127 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2hgj h HIS 128 N 0.00 0.22 -1.02 2.11 3.86 -1.94 3.16 115.15 121.55 2hgj h HIS 128 Ca 0.00 0.05 0.27 0.00 -1.16 0.00 0.00 60.37 59.54 2hgj h HIS 128 Cb 0.00 0.04 -0.13 0.00 1.06 0.00 0.00 27.41 28.38 2hgj h HIS 128 CO 0.00 -0.26 0.60 -1.00 0.86 0.00 0.00 177.93 178.14 2hgj h PRO 129 N 0.15 0.47 0.07 2.45 0.13 -1.90 3.21 132.00 136.59 2hgj h PRO 129 Ca 0.54 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.67 2hgj h PRO 129 Cb 1.08 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.06 2hgj h PRO 129 CO -0.70 0.31 -0.41 0.45 -0.23 0.00 0.00 178.00 177.42 2hgj h HIS 130 N 0.49 -1.14 -0.71 1.56 3.86 0.54 0.30 115.15 120.04 2hgj h HIS 130 Ca 0.67 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 60.00 2hgj h HIS 130 Cb 1.40 0.49 -0.11 0.00 1.06 0.00 0.00 27.41 30.25 2hgj h HIS 130 CO -0.01 -0.50 -0.48 1.96 0.86 0.00 0.00 177.93 179.76 2hgj h GLN 131 N -0.61 -0.16 -0.97 2.45 4.20 0.69 1.31 115.11 122.02 2hgj h GLN 131 Ca 0.03 0.01 0.31 0.00 0.06 0.00 0.00 58.65 59.07 2hgj h GLN 131 Cb 0.66 0.04 -0.16 0.00 0.30 0.00 0.00 27.48 28.31 2hgj h GLN 131 CO -0.27 -0.11 0.35 0.00 -0.67 0.00 0.00 178.83 178.14 2hgj h ALA 132 N 0.60 1.65 -0.88 3.87 0.00 0.15 0.11 119.26 124.77 2hgj h ALA 132 Ca 0.18 0.26 -0.49 0.00 0.00 0.00 0.00 54.91 54.86 2hgj h ALA 132 Cb 0.54 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2hgj h ALA 132 CO -0.78 -0.65 1.33 -0.65 0.00 0.00 0.00 179.25 178.50 2hgj s GLN 133 N -5.77 3.22 0.15 0.00 -1.52 0.45 -4.76 119.66 111.42 2hgj s GLN 133 Ca -0.11 -1.01 -0.14 0.00 -1.95 0.00 0.00 55.36 52.15 2hgj s GLN 133 Cb 0.30 -5.29 0.04 0.00 -0.22 0.00 0.00 33.01 27.84 2hgj s GLN 133 CO 0.78 -2.77 1.70 -0.09 -0.25 0.00 0.00 175.29 174.66 2hgj h ARG 134 N 9.89 0.76 0.00 2.91 9.65 -0.89 -3.45 114.38 133.25 2hgj h ARG 134 Ca 0.21 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2hgj h ARG 134 Cb 0.98 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.45 2hgj h ARG 134 CO 1.35 0.68 -0.01 -2.30 2.80 0.00 0.00 179.97 182.49 2hgj n PRO 135 N -4.54 1.05 -0.64 0.20 -0.02 -1.26 -4.95 135.00 124.83 2hgj n PRO 135 Ca 0.02 -0.07 -0.12 0.00 -2.02 0.00 0.00 63.50 61.31 2hgj n PRO 135 Cb 0.16 -0.27 0.08 0.00 -0.02 0.00 0.00 33.50 33.45 2hgj n PRO 135 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2hgj n GLU 136 N -0.04 -1.22 -2.84 -0.52 0.28 -1.26 -5.01 120.64 110.03 2hgj n GLU 136 Ca 0.01 -0.36 -0.11 0.00 -0.16 0.00 0.00 57.16 56.54 2hgj n GLU 136 Cb 0.03 -1.25 0.02 0.00 1.43 0.00 0.00 31.44 31.67 2hgj n GLU 136 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2hgj n LYS 137 N 0.03 0.72 -0.72 3.44 5.02 -1.26 -4.96 118.16 120.43 2hgj n LYS 137 Ca 0.03 -2.06 -0.33 0.00 -2.02 0.00 0.00 58.31 53.93 2hgj n LYS 137 Cb 0.23 -1.43 0.15 0.00 -0.02 0.00 0.00 35.03 33.96 2hgj n LYS 137 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2hgj n LEU 138 N 1.79 -2.43 -3.68 -0.35 4.77 0.24 -4.61 117.00 112.74 2hgj n LEU 138 Ca 0.13 -0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2hgj n LEU 138 Cb 0.60 -0.89 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 2hgj n LEU 138 CO 0.06 -3.01 0.05 -1.61 -1.33 0.00 0.00 177.39 171.55 2hgj s GLU 139 N -3.23 0.38 0.00 3.23 0.41 -1.26 -0.33 118.70 117.90 2hgj s GLU 139 Ca 0.53 0.89 0.00 0.00 -0.41 0.00 0.00 54.97 55.98 2hgj s GLU 139 Cb -0.08 0.11 0.00 0.00 -1.78 0.00 0.00 34.13 32.37 2hgj s GLU 139 CO 0.66 -0.19 0.00 0.28 -0.49 0.00 0.00 175.26 175.52