#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi s ILE 4 N 0.00 1.42 0.07 -0.18 1.01 -0.12 -4.51 121.20 118.88 2hgi s ILE 4 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 2hgi s ILE 4 Cb 0.00 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 2hgi s ILE 4 CO 0.00 0.41 0.40 -0.60 0.00 0.00 0.00 174.94 175.16 2hgi s ARG 5 N 0.30 3.78 -0.07 2.79 6.06 -1.18 -1.02 118.95 129.61 2hgi s ARG 5 Ca -0.10 0.20 -0.05 0.00 -2.50 0.00 0.00 55.73 53.28 2hgi s ARG 5 Cb -0.14 -3.02 0.02 0.00 0.06 0.00 0.00 34.95 31.88 2hgi s ARG 5 CO 0.04 0.57 0.17 0.96 -2.50 0.00 0.00 175.30 174.53 2hgi s ILE 6 N -1.37 -0.01 -0.13 4.11 -4.36 -1.26 -0.89 121.20 117.29 2hgi s ILE 6 Ca 0.32 0.05 0.02 0.00 -0.26 0.00 0.00 60.65 60.79 2hgi s ILE 6 Cb -0.14 -0.25 0.01 0.00 1.25 0.00 0.00 42.46 43.33 2hgi s ILE 6 CO 0.18 0.02 -0.19 -0.75 0.24 0.00 0.00 174.94 174.43 2hgi s LYS 7 N 0.43 2.70 -0.28 0.37 2.20 0.17 -3.63 119.74 121.70 2hgi s LYS 7 Ca -0.03 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2hgi s LYS 7 Cb -0.04 -2.21 0.08 0.00 -1.51 0.00 0.00 37.83 34.15 2hgi s LYS 7 CO -0.02 -0.02 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.77 2hgi s LEU 8 N 0.86 3.13 -0.20 5.43 0.20 -0.26 -1.34 118.68 126.50 2hgi s LEU 8 Ca -0.07 -1.53 -0.15 0.00 0.69 0.00 0.00 54.13 53.07 2hgi s LEU 8 Cb -0.15 -1.26 -0.04 0.00 -0.43 0.00 0.00 46.19 44.30 2hgi s LEU 8 CO -0.01 -0.30 0.35 0.00 -0.29 0.00 0.00 176.35 176.10 2hgi s ARG 9 N 1.29 4.18 0.20 1.98 1.70 -1.26 -1.13 118.95 125.90 2hgi s ARG 9 Ca 0.01 0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.42 2hgi s ARG 9 Cb -0.19 -3.52 -0.05 0.00 -0.57 0.00 0.00 34.95 30.63 2hgi s ARG 9 CO -0.10 0.02 0.02 0.20 -1.08 0.00 0.00 175.30 174.36 2hgi s GLY 10 N 0.95 1.38 0.00 3.88 0.00 -0.21 -3.65 107.32 109.68 2hgi s GLY 10 Ca 0.17 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.22 2hgi s GLY 10 CO 0.07 -1.56 0.00 0.33 0.00 0.00 0.00 173.10 171.94 2hgi n PHE 11 N -0.31 0.00 -1.47 1.90 -0.00 -0.86 -1.12 117.46 115.60 2hgi n PHE 11 Ca -0.05 0.00 -0.49 0.00 -0.00 0.00 0.00 57.45 56.91 2hgi n PHE 11 Cb 0.64 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.08 2hgi n PHE 11 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2hgi n ASP 12 N -2.21 -0.29 -2.37 -2.13 -0.08 -1.26 -4.68 116.55 103.53 2hgi n ASP 12 Ca 0.00 1.14 -0.30 0.00 -1.51 0.00 0.00 54.79 54.12 2hgi n ASP 12 Cb 0.00 -1.04 0.04 0.00 2.34 0.00 0.00 41.12 42.45 2hgi n ASP 12 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2hgi n HIS 13 N 0.40 2.50 0.00 -0.67 -0.00 -1.26 -3.57 115.22 112.62 2hgi n HIS 13 Ca 0.16 -2.45 0.00 0.00 -0.00 0.00 0.00 57.72 55.43 2hgi n HIS 13 Cb 0.24 -1.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.97 2hgi n HIS 13 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hgi n LYS 14 N -0.24 0.16 -0.11 1.57 4.01 -1.26 -4.85 118.16 117.44 2hgi n LYS 14 Ca 0.51 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 58.18 2hgi n LYS 14 Cb 0.53 -0.25 -0.03 0.00 -0.51 0.00 0.00 35.03 34.78 2hgi n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgi h THR 15 N 0.00 1.29 -0.18 -0.18 1.03 -1.91 -0.74 112.91 112.23 2hgi h THR 15 Ca 0.00 -1.46 -0.05 0.00 -0.01 0.00 0.00 66.41 64.89 2hgi h THR 15 Cb 0.00 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 2hgi h THR 15 CO 0.00 0.48 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.80 2hgi h LEU 16 N 0.60 0.26 0.62 0.00 -0.00 -1.86 -0.83 115.31 114.09 2hgi h LEU 16 Ca 0.06 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2hgi h LEU 16 Cb 0.87 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.47 2hgi h LEU 16 CO 0.08 0.41 -0.30 0.44 -0.00 0.00 0.00 178.44 179.07 2hgi h ASP 17 N 0.26 -0.70 -0.22 -0.43 3.32 -1.79 -0.31 116.42 116.56 2hgi h ASP 17 Ca 0.05 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2hgi h ASP 17 Cb 0.38 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2hgi h ASP 17 CO 0.02 -0.36 -0.01 0.00 -1.72 0.00 0.00 179.24 177.16 2hgi h ALA 18 N -0.82 0.18 0.83 3.45 0.00 -0.99 -0.33 119.26 121.58 2hgi h ALA 18 Ca -0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2hgi h ALA 18 Cb 0.68 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2hgi h ALA 18 CO 0.14 -0.44 -0.44 0.77 0.00 0.00 0.00 179.25 179.28 2hgi h SER 19 N 0.05 -1.07 -0.59 0.00 0.02 -1.19 -0.38 113.55 110.39 2hgi h SER 19 Ca 0.10 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2hgi h SER 19 Cb 0.14 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 2hgi h SER 19 CO -0.19 -0.72 0.31 0.00 -1.14 0.00 0.00 176.83 175.10 2hgi h ALA 20 N -1.37 0.78 0.10 3.77 0.00 -1.05 -0.75 119.26 120.74 2hgi h ALA 20 Ca -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2hgi h ALA 20 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2hgi h ALA 20 CO 0.16 -0.03 -0.05 0.37 0.00 0.00 0.00 179.25 179.71 2hgi h GLN 21 N 0.59 -0.14 -0.43 0.00 4.15 -1.07 -0.34 115.11 117.87 2hgi h GLN 21 Ca 0.26 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.71 2hgi h GLN 21 Cb 0.17 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 2hgi h GLN 21 CO -0.18 0.22 0.26 0.87 -1.93 0.00 0.00 178.83 178.07 2hgi h LYS 22 N -0.51 0.52 -0.49 1.69 1.79 -0.99 -0.86 116.57 117.71 2hgi h LYS 22 Ca -0.01 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.30 2hgi h LYS 22 Cb 0.42 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2hgi h LYS 22 CO 0.02 0.34 -0.18 0.82 -1.08 0.00 0.00 179.45 179.37 2hgi h ILE 23 N 0.53 1.27 -0.44 1.86 5.03 -1.18 -0.21 117.51 124.37 2hgi h ILE 23 Ca 0.17 -1.34 -0.09 0.00 -0.12 0.00 0.00 64.86 63.48 2hgi h ILE 23 Cb -0.01 1.07 -0.01 0.00 -3.03 0.00 0.00 36.82 34.84 2hgi h ILE 23 CO -0.07 0.46 -0.08 0.58 -0.68 0.00 0.00 178.15 178.37 2hgi h VAL 24 N 0.86 1.27 0.08 1.67 2.07 -0.87 -2.50 116.25 118.83 2hgi h VAL 24 Ca 0.12 -1.17 -0.28 0.00 0.82 0.00 0.00 66.70 66.19 2hgi h VAL 24 Cb 0.75 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2hgi h VAL 24 CO 0.06 0.40 -1.38 -0.33 0.02 0.00 0.00 177.57 176.34 2hgi h GLU 25 N 0.66 0.17 -0.07 1.57 5.08 -1.17 -3.18 114.58 117.64 2hgi h GLU 25 Ca 0.11 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2hgi h GLU 25 Cb 0.60 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2hgi h GLU 25 CO 0.04 1.04 -0.14 0.00 -1.00 0.00 0.00 179.01 178.95 2hgi h ALA 26 N 0.67 0.11 0.00 3.43 0.00 -1.15 -2.70 119.26 119.62 2hgi h ALA 26 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2hgi h ALA 26 Cb 1.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2hgi h ALA 26 CO 0.15 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.41 2hgi n ALA 27 N -2.43 2.45 -0.18 0.00 0.00 -0.94 -1.92 120.51 117.49 2hgi n ALA 27 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.47 2hgi n ALA 27 Cb 0.37 -1.00 0.28 0.00 0.00 0.00 0.00 19.45 19.10 2hgi n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2hgi n ARG 28 N 0.18 2.66 -2.87 0.00 0.63 -1.02 -3.78 116.66 112.47 2hgi n ARG 28 Ca 0.00 -2.49 -0.16 0.00 -0.92 0.00 0.00 57.85 54.28 2hgi n ARG 28 Cb 0.32 -1.52 -0.00 0.00 0.45 0.00 0.00 32.46 31.71 2hgi n ARG 28 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2hgi n ARG 29 N 1.48 1.48 0.00 -0.14 1.74 -0.81 -4.88 116.66 115.54 2hgi n ARG 29 Ca 0.22 -3.56 0.00 0.00 -0.77 0.00 0.00 57.85 53.74 2hgi n ARG 29 Cb 0.59 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2hgi n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2hgi n SER 30 N 0.01 0.00 0.00 0.55 3.41 -1.26 -4.74 113.62 111.59 2hgi n SER 30 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2hgi n SER 30 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2hgi n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgi n GLY 31 N -0.67 1.38 0.12 5.00 0.00 -1.25 -4.28 105.19 105.49 2hgi n GLY 31 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2hgi n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgi h ALA 32 N -2.00 -0.11 0.00 4.61 0.00 0.34 -3.44 119.26 118.65 2hgi h ALA 32 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2hgi h ALA 32 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2hgi h ALA 32 CO 0.00 0.45 0.00 0.94 0.00 0.00 0.00 179.25 180.64 2hgi n GLN 33 N -4.03 0.00 0.00 0.00 -0.06 -1.25 -4.98 117.38 107.06 2hgi n GLN 33 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 2hgi n GLN 33 Cb 0.89 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.07 2hgi n GLN 33 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2hgi n VAL 34 N 0.00 0.00 -1.38 1.69 0.31 -1.26 -4.29 118.33 113.40 2hgi n VAL 34 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2hgi n VAL 34 Cb 0.00 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.10 2hgi n VAL 34 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hgi n SER 35 N 0.00 3.52 -1.98 4.52 2.88 0.41 -4.91 113.62 118.06 2hgi n SER 35 Ca 0.00 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 2hgi n SER 35 Cb 0.00 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2hgi n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgi n GLY 36 N -1.10 -4.27 3.32 0.46 0.00 -1.26 -4.40 105.19 97.93 2hgi n GLY 36 Ca 0.47 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 2hgi n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgi n PRO 37 N 1.63 0.01 -1.50 1.61 -0.04 -1.26 -4.45 135.00 130.99 2hgi n PRO 37 Ca 0.00 -0.67 -0.43 0.00 -0.04 0.00 0.00 63.50 62.37 2hgi n PRO 37 Cb 0.00 -2.03 -0.07 0.00 -0.04 0.00 0.00 33.50 31.36 2hgi n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2hgi n ILE 38 N 5.85 0.05 0.00 0.52 5.41 -1.22 -4.28 119.36 125.69 2hgi n ILE 38 Ca 0.29 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2hgi n ILE 38 Cb 0.37 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 2hgi n ILE 38 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2hgi n PRO 39 N 8.60 0.00 -1.15 0.38 -0.04 -1.26 -1.24 135.00 140.30 2hgi n PRO 39 Ca 0.45 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 2hgi n PRO 39 Cb 0.32 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2hgi n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2hgi n LEU 40 N -1.26 -1.11 0.00 1.53 4.77 -1.22 -3.92 117.00 115.79 2hgi n LEU 40 Ca -0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2hgi n LEU 40 Cb 0.25 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2hgi n LEU 40 CO 0.00 -0.52 0.00 -0.81 -1.33 0.00 0.00 177.39 174.73 2hgi n PRO 41 N 0.94 0.00 -1.33 3.23 -0.04 -1.26 -4.28 135.00 132.27 2hgi n PRO 41 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 2hgi n PRO 41 Cb 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.53 2hgi n PRO 41 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2hgi n THR 42 N 0.00 1.79 -4.36 0.52 -1.04 -1.25 -4.91 114.28 105.02 2hgi n THR 42 Ca 0.00 -0.45 -0.27 0.00 -2.04 0.00 0.00 64.05 61.29 2hgi n THR 42 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 2hgi n THR 42 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2hgi s ARG 43 N -0.89 1.33 0.05 -2.82 3.52 -0.25 -5.01 118.95 114.88 2hgi s ARG 43 Ca 0.62 -1.32 0.08 0.00 -0.13 0.00 0.00 55.73 54.98 2hgi s ARG 43 Cb -0.90 -1.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.74 2hgi s ARG 43 CO 0.53 0.40 -0.23 0.08 -0.81 0.00 0.00 175.30 175.27 2hgi s VAL 44 N -1.20 2.45 -0.38 7.11 1.01 -1.26 -1.06 120.40 127.06 2hgi s VAL 44 Ca 0.13 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.79 2hgi s VAL 44 Cb -0.10 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.40 2hgi s VAL 44 CO 0.06 0.33 0.16 -0.13 0.00 0.00 0.00 175.10 175.52 2hgi s ARG 45 N -1.41 1.13 0.41 2.72 1.81 -0.16 -4.99 118.95 118.47 2hgi s ARG 45 Ca 0.13 -1.67 -0.07 0.00 -1.72 0.00 0.00 55.73 52.41 2hgi s ARG 45 Cb -0.10 -2.37 -0.05 0.00 -0.45 0.00 0.00 34.95 31.98 2hgi s ARG 45 CO 0.04 -1.06 0.73 1.03 -0.68 0.00 0.00 175.30 175.35 2hgi s ARG 46 N 0.87 3.64 -0.13 3.54 1.81 -1.26 -0.67 118.95 126.75 2hgi s ARG 46 Ca 0.14 0.23 -0.09 0.00 -1.72 0.00 0.00 55.73 54.28 2hgi s ARG 46 Cb -0.21 -2.44 0.04 0.00 -0.45 0.00 0.00 34.95 31.89 2hgi s ARG 46 CO -0.10 -0.05 0.32 -0.06 -0.68 0.00 0.00 175.30 174.72 2hgi s PHE 47 N -2.48 -0.39 0.20 -0.53 0.40 0.04 -4.93 117.98 110.29 2hgi s PHE 47 Ca 0.48 0.92 0.09 0.00 -0.60 0.00 0.00 56.93 57.81 2hgi s PHE 47 Cb -0.10 0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.52 2hgi s PHE 47 CO 0.37 -0.22 -0.05 0.99 0.70 0.00 0.00 175.22 177.01 2hgi s THR 48 N 0.69 3.38 0.05 0.64 2.01 -1.26 -1.05 115.64 120.11 2hgi s THR 48 Ca -0.04 -1.68 -0.27 0.00 0.31 0.00 0.00 61.69 60.01 2hgi s THR 48 Cb -0.06 -2.72 0.08 0.00 0.01 0.00 0.00 72.50 69.81 2hgi s THR 48 CO -0.05 -0.19 0.70 -0.69 -0.69 0.00 0.00 174.62 173.70 2hgi s VAL 49 N -1.89 0.00 -0.18 3.82 1.01 -0.43 -4.95 120.40 117.78 2hgi s VAL 49 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 2hgi s VAL 49 Cb -0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2hgi s VAL 49 CO 0.17 0.00 1.41 -0.63 0.00 0.00 0.00 175.10 176.06 2hgi s ILE 50 N -2.73 4.01 0.08 2.22 1.01 -1.26 -2.53 121.20 121.99 2hgi s ILE 50 Ca -0.02 1.19 -0.21 0.00 0.00 0.00 0.00 60.65 61.60 2hgi s ILE 50 Cb -0.01 -3.87 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 2hgi s ILE 50 CO -0.05 -0.22 1.63 0.03 0.00 0.00 0.00 174.94 176.33 2hgi h ARG 51 N 9.17 0.18 -5.39 2.79 3.08 -1.69 -3.37 114.38 119.15 2hgi h ARG 51 Ca -0.30 -0.03 -0.64 0.00 0.07 0.00 0.00 59.98 59.08 2hgi h ARG 51 Cb 1.13 -0.03 -0.15 0.00 0.08 0.00 0.00 29.97 31.00 2hgi h ARG 51 CO 0.99 0.27 0.68 0.20 -1.07 0.00 0.00 179.97 181.04 2hgi s GLY 52 N -2.62 1.50 0.78 0.04 0.00 -1.26 -4.99 107.32 100.77 2hgi s GLY 52 Ca -0.14 -2.09 -0.16 0.00 0.00 0.00 0.00 44.72 42.32 2hgi s GLY 52 CO 0.69 2.10 -0.53 -1.55 0.00 0.00 0.00 173.10 173.81 2hgi n PRO 53 N 7.51 0.00 -1.18 2.90 -0.04 -1.26 -4.65 135.00 138.28 2hgi n PRO 53 Ca 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2hgi n PRO 53 Cb 0.47 -0.95 -0.04 0.00 -0.04 0.00 0.00 33.50 32.94 2hgi n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2hgi n PHE 54 N -2.03 -3.20 0.00 0.54 7.35 -1.26 -4.85 117.46 114.02 2hgi n PHE 54 Ca 0.02 1.75 0.00 0.00 -0.76 0.00 0.00 57.45 58.45 2hgi n PHE 54 Cb 0.50 -2.85 0.00 0.00 0.35 0.00 0.00 39.48 37.48 2hgi n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2hgi n LYS 55 N -3.09 0.00 0.00 -4.13 2.85 -1.26 -4.92 118.16 107.61 2hgi n LYS 55 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2hgi n LYS 55 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 2hgi n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2hgi n HIS 56 N 0.00 0.00 -0.15 5.58 8.25 -1.26 -4.99 115.22 122.65 2hgi n HIS 56 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2hgi n HIS 56 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2hgi n HIS 56 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2hgi n LYS 57 N 0.00 0.31 0.00 -0.41 4.81 -1.26 -2.88 118.16 118.73 2hgi n LYS 57 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2hgi n LYS 57 Cb 0.00 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2hgi n LYS 57 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hgi n ASP 58 N 2.07 0.00 0.24 3.14 8.00 -1.26 -5.00 116.55 123.74 2hgi n ASP 58 Ca 0.02 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 2hgi n ASP 58 Cb 0.15 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.74 2hgi n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2hgi h SER 59 N 0.00 0.00 0.00 -2.24 0.02 -1.88 -3.46 113.55 105.99 2hgi h SER 59 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hgi h SER 59 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hgi h SER 59 CO 0.00 0.14 0.00 0.54 -1.14 0.00 0.00 176.83 176.37 2hgi n ARG 60 N -3.25 3.44 -2.06 3.45 3.00 -1.21 -2.53 116.66 117.49 2hgi n ARG 60 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2hgi n ARG 60 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 2hgi n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2hgi n GLU 61 N 0.00 -2.05 -3.88 5.56 2.13 -1.05 -4.38 120.64 116.98 2hgi n GLU 61 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2hgi n GLU 61 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 2hgi n GLU 61 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2hgi s HIS 62 N -1.53 0.03 0.26 4.31 -3.43 -1.26 -1.31 115.29 112.35 2hgi s HIS 62 Ca 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2hgi s HIS 62 Cb 0.00 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.11 2hgi s HIS 62 CO 0.00 -0.21 0.01 1.19 -2.00 0.00 0.00 174.74 173.72 2hgi n PHE 63 N 1.90 0.55 -3.47 0.38 3.01 -0.21 -4.93 117.46 114.69 2hgi n PHE 63 Ca -0.20 -1.26 -0.15 0.00 1.01 0.00 0.00 57.45 56.85 2hgi n PHE 63 Cb 0.56 -0.17 -0.04 0.00 -0.01 0.00 0.00 39.48 39.82 2hgi n PHE 63 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2hgi s GLU 64 N -2.93 1.15 0.01 -1.08 4.04 -1.26 -0.78 118.70 117.85 2hgi s GLU 64 Ca 0.00 -0.12 0.06 0.00 0.04 0.00 0.00 54.97 54.95 2hgi s GLU 64 Cb -0.00 0.53 -0.02 0.00 0.02 0.00 0.00 34.13 34.67 2hgi s GLU 64 CO 0.00 -0.44 -0.17 -1.17 -1.84 0.00 0.00 175.26 171.64 2hgi s LEU 65 N -2.00 2.10 0.00 1.83 0.20 0.15 -4.96 118.68 115.99 2hgi s LEU 65 Ca -0.04 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.38 2hgi s LEU 65 Cb -0.01 -0.85 0.00 0.00 -0.43 0.00 0.00 46.19 44.91 2hgi s LEU 65 CO -0.02 0.16 0.00 -2.11 -0.29 0.00 0.00 176.35 174.09 2hgi n ARG 66 N 2.28 0.00 -3.89 1.98 1.85 -1.26 -0.98 116.66 116.64 2hgi n ARG 66 Ca -0.16 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.58 2hgi n ARG 66 Cb 0.54 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.82 2hgi n ARG 66 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2hgi s THR 67 N -2.28 0.02 -0.00 8.89 2.01 -0.23 -4.85 115.64 119.20 2hgi s THR 67 Ca 0.00 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2hgi s THR 67 Cb 0.00 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.41 2hgi s THR 67 CO 0.00 -0.10 -0.12 -1.00 -0.69 0.00 0.00 174.62 172.71 2hgi s HIS 68 N -0.29 2.75 -0.16 4.92 0.09 -0.27 -1.09 115.29 121.24 2hgi s HIS 68 Ca -0.03 -0.12 -0.00 0.00 -0.00 0.00 0.00 55.06 54.90 2hgi s HIS 68 Cb -0.02 -1.58 0.04 0.00 -0.00 0.00 0.00 32.58 31.02 2hgi s HIS 68 CO -0.00 0.29 -0.07 -0.80 -0.00 0.00 0.00 174.74 174.16 2hgi s ASN 69 N -1.23 2.82 -0.05 1.40 0.01 -1.26 -1.04 114.94 115.60 2hgi s ASN 69 Ca 0.15 -0.64 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 2hgi s ASN 69 Cb -0.11 -0.98 -0.04 0.00 0.41 0.00 0.00 41.25 40.54 2hgi s ASN 69 CO 0.05 -0.16 0.08 -0.13 -1.51 0.00 0.00 177.10 175.43 2hgi s ARG 70 N 1.59 3.15 -0.48 -0.60 1.81 -0.28 -3.42 118.95 120.72 2hgi s ARG 70 Ca 0.01 -0.37 0.08 0.00 -1.72 0.00 0.00 55.73 53.73 2hgi s ARG 70 Cb -0.15 -2.93 0.34 0.00 -0.45 0.00 0.00 34.95 31.77 2hgi s ARG 70 CO -0.08 0.70 0.85 1.28 -0.68 0.00 0.00 175.30 177.36 2hgi n LEU 71 N 1.62 2.77 0.00 2.53 7.99 -0.37 -1.11 117.00 130.43 2hgi n LEU 71 Ca -0.16 -5.37 0.00 0.00 -0.01 0.00 0.00 56.01 50.47 2hgi n LEU 71 Cb 0.53 0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 2hgi n LEU 71 CO 0.34 2.33 0.00 0.52 -1.51 0.00 0.00 177.39 179.07 2hgi n VAL 72 N 0.00 0.00 -0.28 4.08 0.31 -1.24 -3.46 118.33 117.74 2hgi n VAL 72 Ca 0.28 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 2hgi n VAL 72 Cb 0.52 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 2hgi n VAL 72 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2hgi n ASP 73 N 0.00 -1.88 -3.99 4.52 9.92 -1.26 -3.75 116.55 120.12 2hgi n ASP 73 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 2hgi n ASP 73 Cb 0.00 -0.19 -0.17 0.00 -0.64 0.00 0.00 41.12 40.13 2hgi n ASP 73 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2hgi s ILE 74 N -0.38 1.07 0.64 0.53 1.01 -0.19 0.15 121.20 124.05 2hgi s ILE 74 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 2hgi s ILE 74 Cb 0.00 -1.01 0.07 0.00 0.01 0.00 0.00 42.46 41.52 2hgi s ILE 74 CO 0.00 0.35 0.90 -0.63 0.00 0.00 0.00 174.94 175.56 2hgi s ILE 75 N 0.92 2.43 -0.45 2.92 1.01 -1.26 -0.94 121.20 125.82 2hgi s ILE 75 Ca -0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 2hgi s ILE 75 Cb -0.15 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.43 2hgi s ILE 75 CO 0.01 0.00 0.58 0.59 0.00 0.00 0.00 174.94 176.12 2hgi n ASN 76 N -2.64 -7.57 -0.78 3.58 3.02 -1.26 0.59 115.26 110.19 2hgi n ASN 76 Ca 0.10 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 2hgi n ASN 76 Cb 0.60 -5.12 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 2hgi n ASN 76 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2hgi n PRO 77 N -0.56 0.39 -1.46 3.52 -0.04 -1.26 -2.76 135.00 132.82 2hgi n PRO 77 Ca 0.09 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 2hgi n PRO 77 Cb 0.44 -1.26 -0.18 0.00 -0.04 0.00 0.00 33.50 32.47 2hgi n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2hgi n ASN 78 N 0.59 -0.47 0.00 3.54 4.05 -1.26 -4.66 115.26 117.05 2hgi n ASN 78 Ca 0.00 -0.13 0.00 0.00 0.45 0.00 0.00 54.58 54.90 2hgi n ASN 78 Cb 0.15 -0.73 0.00 0.00 1.23 0.00 0.00 39.78 40.43 2hgi n ASN 78 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2hgi n ARG 79 N 7.02 0.00 0.00 1.20 0.00 -1.26 -1.05 116.66 122.57 2hgi n ARG 79 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.50 2hgi n ARG 79 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.54 2hgi n ARG 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2hgi n LYS 80 N 0.00 0.00 -0.32 -0.14 3.00 -1.26 -0.94 118.16 118.50 2hgi n LYS 80 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 2hgi n LYS 80 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 35.03 35.40 2hgi n LYS 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2hgi h THR 81 N 0.00 0.13 0.00 3.15 2.02 -1.27 -1.25 112.91 115.69 2hgi h THR 81 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2hgi h THR 81 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2hgi h THR 81 CO 0.00 0.02 0.64 -0.38 0.37 0.00 0.00 175.52 176.17 2hgi n ILE 82 N -5.33 0.12 -0.34 3.11 5.41 -0.11 -1.08 119.36 121.13 2hgi n ILE 82 Ca 0.26 0.72 0.00 0.00 1.00 0.00 0.00 62.75 64.73 2hgi n ILE 82 Cb 0.86 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 2hgi n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2hgi n GLU 83 N -1.72 -0.13 -0.23 0.38 4.07 -0.47 -3.60 120.64 118.94 2hgi n GLU 83 Ca -0.00 -0.50 0.07 0.00 -0.06 0.00 0.00 57.16 56.67 2hgi n GLU 83 Cb 0.65 -0.83 0.19 0.00 -0.06 0.00 0.00 31.44 31.39 2hgi n GLU 83 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2hgi n GLN 84 N -0.07 2.06 0.00 5.31 1.13 -0.24 -4.16 117.38 121.41 2hgi n GLN 84 Ca 0.00 -1.53 0.00 0.00 -1.94 0.00 0.00 57.00 53.53 2hgi n GLN 84 Cb 0.14 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.12 2hgi n GLN 84 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2hgi n LEU 85 N 0.70 0.00 -0.33 1.08 4.32 -1.25 -3.96 117.00 117.56 2hgi n LEU 85 Ca 0.14 0.00 0.21 0.00 -0.02 0.00 0.00 56.01 56.35 2hgi n LEU 85 Cb 0.38 0.08 0.48 0.00 -1.62 0.00 0.00 43.42 42.75 2hgi n LEU 85 CO 0.10 -0.26 1.21 -0.03 -1.22 0.00 0.00 177.39 177.19 2hgi h MET 86 N 0.00 0.43 -1.14 3.23 4.05 -1.73 -2.96 114.93 116.81 2hgi h MET 86 Ca 0.00 -0.03 -0.37 0.00 -0.28 0.00 0.00 59.70 59.02 2hgi h MET 86 Cb 0.00 -0.10 -0.31 0.00 -0.80 0.00 0.00 31.60 30.39 2hgi h MET 86 CO 0.00 0.28 -0.93 2.41 0.23 0.00 0.00 176.91 178.90 2hgi n THR 87 N -4.68 0.09 -2.74 -0.77 -1.04 -1.26 -4.90 114.28 98.99 2hgi n THR 87 Ca 0.25 -3.26 -0.09 0.00 -2.04 0.00 0.00 64.05 58.92 2hgi n THR 87 Cb 0.84 0.46 0.08 0.00 -1.82 0.00 0.00 70.33 69.89 2hgi n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2hgi n LEU 88 N 0.16 -2.52 -4.46 -4.42 4.77 -1.12 -4.98 117.00 104.44 2hgi n LEU 88 Ca 0.15 -3.58 -0.22 0.00 -0.03 0.00 0.00 56.01 52.33 2hgi n LEU 88 Cb 0.72 0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 42.61 2hgi n LEU 88 CO 0.15 2.05 -0.37 1.51 -1.33 0.00 0.00 177.39 179.41 2hgi s ASP 89 N -1.40 2.98 0.00 -1.43 -4.77 -1.26 -4.46 116.67 106.33 2hgi s ASP 89 Ca 0.25 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.30 2hgi s ASP 89 Cb 0.27 -0.21 0.00 0.00 -1.09 0.00 0.00 42.92 41.89 2hgi s ASP 89 CO -0.11 -0.32 0.00 0.18 0.70 0.00 0.00 175.17 175.62 2hgi n LEU 90 N -0.63 0.00 0.00 2.11 4.77 -1.26 -5.15 117.00 116.84 2hgi n LEU 90 Ca -0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2hgi n LEU 90 Cb 0.63 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.80 2hgi n LEU 90 CO 0.41 0.00 0.22 -0.81 -1.33 0.00 0.00 177.39 175.87 2hgi n PRO 91 N -0.31 -1.19 0.00 3.23 -0.04 -1.26 -5.05 135.00 130.38 2hgi n PRO 91 Ca 0.00 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 2hgi n PRO 91 Cb 0.00 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 2hgi n PRO 91 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2hgi n THR 92 N -2.98 0.00 -1.26 0.52 5.66 -1.26 -4.93 114.28 110.03 2hgi n THR 92 Ca 0.05 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.93 2hgi n THR 92 Cb 0.18 1.83 0.21 0.00 -1.55 0.00 0.00 70.33 71.00 2hgi n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hgi n GLY 93 N 0.00 4.46 0.42 1.09 0.00 -1.26 -4.98 105.19 104.92 2hgi n GLY 93 Ca 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 2hgi n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgi n VAL 94 N -0.93 0.00 -3.66 1.61 0.31 -1.26 -2.03 118.33 112.37 2hgi n VAL 94 Ca 0.45 -0.21 -0.08 0.00 -0.01 0.00 0.00 64.34 64.50 2hgi n VAL 94 Cb 1.36 0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 34.34 2hgi n VAL 94 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2hgi s GLU 95 N -2.09 0.54 -0.85 5.55 1.03 -1.24 -5.01 118.70 116.62 2hgi s GLU 95 Ca 0.03 1.08 -0.20 0.00 0.03 0.00 0.00 54.97 55.91 2hgi s GLU 95 Cb -0.00 0.20 -0.21 0.00 -0.80 0.00 0.00 34.13 33.31 2hgi s GLU 95 CO 0.02 -0.17 2.35 0.44 -1.33 0.00 0.00 175.26 176.58 2hgi n ILE 96 N 4.57 -0.01 -3.18 1.83 -5.35 -1.26 -4.40 119.36 111.56 2hgi n ILE 96 Ca -0.19 -0.48 -0.45 0.00 -0.27 0.00 0.00 62.75 61.35 2hgi n ILE 96 Cb 0.55 -1.22 -0.02 0.00 -1.74 0.00 0.00 39.64 37.22 2hgi n ILE 96 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2hgi s GLU 97 N 8.17 3.76 0.14 6.28 0.41 -0.45 -5.01 118.70 131.99 2hgi s GLU 97 Ca 1.12 -2.41 0.05 0.00 -0.41 0.00 0.00 54.97 53.33 2hgi s GLU 97 Cb -0.51 -4.66 -0.04 0.00 -1.78 0.00 0.00 34.13 27.14 2hgi s GLU 97 CO 0.32 -1.47 0.08 0.42 -0.49 0.00 0.00 175.26 174.12 2hgi s ILE 98 N 0.79 4.30 0.00 -1.63 1.09 -1.26 -0.65 121.20 123.83 2hgi s ILE 98 Ca 0.27 -1.06 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 2hgi s ILE 98 Cb -0.08 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.18 2hgi s ILE 98 CO -0.08 -0.03 0.00 0.29 -0.10 0.00 0.00 174.94 175.02 2hgi n LYS 99 N -0.01 0.00 0.00 2.79 4.76 -0.07 -5.00 118.16 120.63 2hgi n LYS 99 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2hgi n LYS 99 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 2hgi n LYS 99 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66