#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi n ILE 3 N 0.00 0.00 -4.40 4.25 -6.64 -1.26 -4.88 119.36 106.43 2hgi n ILE 3 Ca 0.00 0.00 -0.32 0.00 -1.77 0.00 0.00 62.75 60.66 2hgi n ILE 3 Cb 0.00 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.04 2hgi n ILE 3 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 2hgi s THR 4 N 0.00 1.92 0.00 7.28 2.01 -1.26 -5.05 115.64 120.54 2hgi s THR 4 Ca 0.00 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.12 2hgi s THR 4 Cb 0.00 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.78 2hgi s THR 4 CO 0.00 0.52 0.21 0.29 -0.69 0.00 0.00 174.62 174.95 2hgi n LYS 5 N 4.33 0.00 0.00 4.92 4.76 -1.26 -1.42 118.16 129.49 2hgi n LYS 5 Ca -0.20 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2hgi n LYS 5 Cb 0.51 -0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 2hgi n LYS 5 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2hgi n GLU 6 N -0.69 0.00 -0.21 1.97 0.00 -1.26 -0.83 120.64 119.62 2hgi n GLU 6 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 2hgi n GLU 6 Cb 0.00 -0.29 0.23 0.00 0.00 0.00 0.00 31.44 31.38 2hgi n GLU 6 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2hgi n GLU 7 N 0.00 -0.04 -0.01 3.44 0.28 -1.25 0.16 120.64 123.22 2hgi n GLU 7 Ca 0.00 0.89 -0.01 0.00 -0.16 0.00 0.00 57.16 57.88 2hgi n GLU 7 Cb 0.00 -1.47 -0.01 0.00 1.43 0.00 0.00 31.44 31.39 2hgi n GLU 7 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2hgi h LYS 8 N 0.00 -0.05 -0.57 3.44 3.64 0.01 -0.85 116.57 122.19 2hgi h LYS 8 Ca 0.42 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.85 2hgi h LYS 8 Cb 0.95 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.70 2hgi h LYS 8 CO -0.54 -0.03 -0.46 1.96 -2.27 0.00 0.00 179.45 178.11 2hgi h GLN 9 N -0.05 -0.15 -0.92 1.90 1.08 0.35 -0.45 115.11 116.87 2hgi h GLN 9 Ca 0.01 0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.42 2hgi h GLN 9 Cb 0.06 0.03 -0.17 0.00 -0.05 0.00 0.00 27.48 27.36 2hgi h GLN 9 CO -0.05 -0.10 -0.16 1.57 -0.95 0.00 0.00 178.83 179.14 2hgi h LYS 10 N -0.16 0.01 -0.60 1.46 2.10 -0.36 2.51 116.57 121.53 2hgi h LYS 10 Ca 0.09 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.67 2hgi h LYS 10 Cb 0.40 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 2hgi h LYS 10 CO -0.62 0.01 0.09 0.28 -2.00 0.00 0.00 179.45 177.21 2hgi h VAL 11 N 0.01 1.25 -1.04 0.07 2.07 0.23 0.11 116.25 118.95 2hgi h VAL 11 Ca 0.47 -0.98 0.28 0.00 0.82 0.00 0.00 66.70 67.29 2hgi h VAL 11 Cb 0.79 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 2hgi h VAL 11 CO -0.92 0.36 0.70 0.40 0.02 0.00 0.00 177.57 178.13 2hgi h ILE 12 N 0.92 0.52 0.45 4.57 2.04 0.57 0.96 117.51 127.53 2hgi h ILE 12 Ca 0.19 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2hgi h ILE 12 Cb 0.41 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2hgi h ILE 12 CO 0.01 0.05 -0.21 1.56 0.00 0.00 0.00 178.15 179.55 2hgi h GLN 13 N 0.25 -0.58 -0.62 2.37 1.08 0.15 0.43 115.11 118.19 2hgi h GLN 13 Ca 0.55 0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.95 2hgi h GLN 13 Cb 1.67 0.13 -0.12 0.00 -0.05 0.00 0.00 27.48 29.12 2hgi h GLN 13 CO -0.18 -0.38 -0.05 0.39 -0.95 0.00 0.00 178.83 177.66 2hgi n GLU 14 N -4.64 -0.05 -0.02 1.46 4.71 0.22 -0.59 120.64 121.72 2hgi n GLU 14 Ca -0.07 0.95 -0.07 0.00 -0.01 0.00 0.00 57.16 57.95 2hgi n GLU 14 Cb 0.24 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.14 2hgi n GLU 14 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 2hgi h PHE 15 N 0.00 -0.07 -0.02 -0.32 -1.00 -1.33 -3.43 116.94 110.77 2hgi h PHE 15 Ca 0.35 -0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.71 2hgi h PHE 15 Cb 0.67 0.02 -0.10 0.00 3.61 0.00 0.00 35.95 40.14 2hgi h PHE 15 CO -0.37 0.35 1.88 0.00 -1.61 0.00 0.00 178.31 178.55 2hgi n ALA 16 N -2.68 0.73 -0.09 2.45 0.00 0.24 -4.70 120.51 116.46 2hgi n ALA 16 Ca -0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.71 2hgi n ALA 16 Cb 0.21 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.26 2hgi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi h ARG 17 N 11.59 -0.34 -5.04 0.00 3.08 -1.84 -3.34 114.38 118.48 2hgi h ARG 17 Ca -0.01 0.02 -0.63 0.00 0.07 0.00 0.00 59.98 59.43 2hgi h ARG 17 Cb 1.21 0.08 -0.18 0.00 0.08 0.00 0.00 29.97 31.16 2hgi h ARG 17 CO 1.50 -0.23 -0.57 -0.59 -1.07 0.00 0.00 179.97 179.02 2hgi s PHE 18 N -5.88 3.19 -0.18 3.04 -0.12 -1.26 -4.95 117.98 111.81 2hgi s PHE 18 Ca -0.15 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 2hgi s PHE 18 Cb 0.11 -2.23 0.00 0.00 -0.63 0.00 0.00 43.02 40.27 2hgi s PHE 18 CO 0.65 -0.12 0.00 -2.30 -0.05 0.00 0.00 175.22 173.40 2hgi n PRO 19 N 4.50 0.00 -0.42 1.99 -0.02 -1.25 -0.59 135.00 139.21 2hgi n PRO 19 Ca -0.16 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.40 2hgi n PRO 19 Cb 0.52 -0.94 0.18 0.00 -0.02 0.00 0.00 33.50 33.24 2hgi n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgi n GLY 20 N -0.04 5.00 2.57 -1.23 0.00 -1.26 -4.83 105.19 105.40 2hgi n GLY 20 Ca 0.00 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 2hgi n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hgi n ASP 21 N -1.22 7.57 0.25 1.61 4.64 0.24 -4.73 116.55 124.91 2hgi n ASP 21 Ca 0.18 -3.39 0.17 0.00 -1.38 0.00 0.00 54.79 50.37 2hgi n ASP 21 Cb 0.68 -1.26 0.87 0.00 -1.04 0.00 0.00 41.12 40.37 2hgi n ASP 21 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2hgi h THR 22 N 2.34 0.00 -1.55 5.18 1.35 -1.88 -3.40 112.91 114.94 2hgi h THR 22 Ca 0.60 -0.08 0.06 0.00 -0.55 0.00 0.00 66.41 66.44 2hgi h THR 22 Cb 0.34 0.86 -0.22 0.00 -1.73 0.00 0.00 68.15 67.40 2hgi h THR 22 CO 1.30 0.00 -0.24 -0.83 -0.25 0.00 0.00 175.52 175.50 2hgi s GLY 23 N -3.88 -0.81 -0.10 5.82 0.00 -1.26 -5.03 107.32 102.06 2hgi s GLY 23 Ca -0.03 1.95 -0.31 0.00 0.00 0.00 0.00 44.72 46.34 2hgi s GLY 23 CO 0.34 3.14 1.03 -0.45 0.00 0.00 0.00 173.10 177.17 2hgi s SER 24 N 2.84 -0.27 0.23 1.64 0.15 -1.26 -4.98 113.70 112.04 2hgi s SER 24 Ca 0.08 0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.83 2hgi s SER 24 Cb -0.14 0.28 0.68 0.00 -1.71 0.00 0.00 66.02 65.13 2hgi s SER 24 CO -0.19 -0.43 1.11 0.41 1.20 0.00 0.00 173.24 175.33 2hgi n THR 25 N -0.07 -0.30 -0.12 6.45 -1.04 -1.26 0.23 114.28 118.17 2hgi n THR 25 Ca -0.05 1.51 -0.05 0.00 -2.04 0.00 0.00 64.05 63.42 2hgi n THR 25 Cb 0.60 -2.29 0.03 0.00 -1.82 0.00 0.00 70.33 66.85 2hgi n THR 25 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2hgi h GLU 26 N 0.00 0.24 0.10 -2.82 3.07 -1.95 0.73 114.58 113.96 2hgi h GLU 26 Ca 0.49 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.33 2hgi h GLU 26 Cb 1.12 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2hgi h GLU 26 CO -0.62 0.16 -0.05 0.28 -1.40 0.00 0.00 179.01 177.38 2hgi h VAL 27 N 0.25 1.10 -0.21 3.13 2.07 0.26 -0.64 116.25 122.21 2hgi h VAL 27 Ca 0.19 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2hgi h VAL 27 Cb 0.21 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 2hgi h VAL 27 CO -0.23 0.21 -0.50 1.56 0.02 0.00 0.00 177.57 178.63 2hgi h GLN 28 N -0.55 -0.45 0.00 1.57 1.08 -0.69 -0.45 115.11 115.62 2hgi h GLN 28 Ca -0.01 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2hgi h GLN 28 Cb 0.45 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2hgi h GLN 28 CO 0.02 -0.30 0.00 0.28 -0.95 0.00 0.00 178.83 177.88 2hgi n VAL 29 N -5.15 0.00 -0.38 -0.54 0.31 0.22 -0.51 118.33 112.29 2hgi n VAL 29 Ca -0.05 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.50 2hgi n VAL 29 Cb 0.33 -1.70 0.06 0.00 -0.91 0.00 0.00 33.84 31.62 2hgi n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgi n ALA 30 N -2.01 -0.06 0.10 3.52 0.00 -0.25 -1.03 120.51 120.78 2hgi n ALA 30 Ca 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 53.44 54.37 2hgi n ALA 30 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 2hgi n ALA 30 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hgi h LEU 31 N 0.00 -0.64 -0.32 0.00 4.07 0.73 0.05 115.31 119.21 2hgi h LEU 31 Ca 0.37 0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.45 2hgi h LEU 31 Cb 0.62 0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.51 2hgi h LEU 31 CO -1.00 -0.27 -0.11 -0.07 -1.08 0.00 0.00 178.44 175.91 2hgi h LEU 32 N -0.40 -0.38 0.01 1.67 -0.00 -0.43 -0.83 115.31 114.94 2hgi h LEU 32 Ca -0.02 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2hgi h LEU 32 Cb 0.36 0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2hgi h LEU 32 CO -0.06 -0.14 -0.00 0.74 -0.00 0.00 0.00 178.44 178.98 2hgi h THR 33 N -0.04 0.00 -0.65 0.22 2.02 -1.04 0.12 112.91 113.54 2hgi h THR 33 Ca 0.16 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.40 2hgi h THR 33 Cb 0.28 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.61 2hgi h THR 33 CO -0.35 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.17 2hgi n LEU 34 N -2.04 -0.65 -0.06 2.58 -0.00 0.00 0.21 117.00 117.04 2hgi n LEU 34 Ca -0.00 1.15 -0.08 0.00 -0.00 0.00 0.00 56.01 57.08 2hgi n LEU 34 Cb 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 43.24 2hgi n LEU 34 CO 0.00 -0.95 0.84 0.03 -0.00 0.00 0.00 177.39 177.31 2hgi h ARG 35 N 0.00 0.03 -0.14 1.47 3.08 -1.15 -0.86 114.38 116.81 2hgi h ARG 35 Ca 0.12 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.19 2hgi h ARG 35 Cb 0.28 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 2hgi h ARG 35 CO -0.61 0.02 -0.42 0.97 -1.07 0.00 0.00 179.97 178.86 2hgi h ILE 36 N 0.03 0.00 0.26 2.04 2.10 0.46 0.43 117.51 122.84 2hgi h ILE 36 Ca 0.12 0.00 0.01 0.00 1.08 0.00 0.00 64.86 66.07 2hgi h ILE 36 Cb 0.17 0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 35.87 2hgi h ILE 36 CO -0.23 0.00 -0.34 0.78 -1.08 0.00 0.00 178.15 177.28 2hgi h ASN 37 N -0.42 -0.93 -0.18 2.19 2.35 -0.07 0.14 115.58 118.65 2hgi h ASN 37 Ca 0.03 0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2hgi h ASN 37 Cb 0.51 0.33 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2hgi h ASN 37 CO -0.35 -0.45 -0.14 0.08 -1.65 0.00 0.00 177.43 174.92 2hgi h ARG 38 N -0.65 0.42 -0.54 0.81 0.11 -1.15 -1.10 114.38 112.27 2hgi h ARG 38 Ca -0.00 -0.20 -0.06 0.00 0.10 0.00 0.00 59.98 59.81 2hgi h ARG 38 Cb 0.62 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.67 2hgi h ARG 38 CO -0.11 0.75 0.08 1.37 0.10 0.00 0.00 179.97 182.16 2hgi h LEU 39 N 0.09 0.83 0.72 0.08 -0.00 -0.88 -0.70 115.31 115.44 2hgi h LEU 39 Ca 0.04 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.70 2hgi h LEU 39 Cb 0.65 -0.22 0.01 0.00 -0.00 0.00 0.00 40.66 41.10 2hgi h LEU 39 CO 0.04 0.85 -0.35 0.28 -0.00 0.00 0.00 178.44 179.26 2hgi h SER 40 N 0.83 -0.82 -0.96 0.17 0.02 -0.96 -0.36 113.55 111.47 2hgi h SER 40 Ca 0.17 0.01 0.20 0.00 -0.84 0.00 0.00 61.79 61.33 2hgi h SER 40 Cb 0.38 0.21 -0.18 0.00 0.14 0.00 0.00 62.40 62.96 2hgi h SER 40 CO 0.01 -0.47 -0.19 1.05 -1.14 0.00 0.00 176.83 176.09 2hgi h GLU 41 N -1.18 0.00 -0.47 3.45 -0.00 -0.95 2.38 114.58 117.81 2hgi h GLU 41 Ca -0.10 -0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.31 2hgi h GLU 41 Cb 0.76 -0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.44 2hgi h GLU 41 CO 0.16 0.00 -0.42 1.25 -0.00 0.00 0.00 179.01 180.01 2hgi h HIS 42 N 0.00 -1.31 -0.65 2.06 2.76 -0.33 0.38 115.15 118.07 2hgi h HIS 42 Ca 0.48 0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.78 2hgi h HIS 42 Cb 0.78 0.63 -0.08 0.00 1.55 0.00 0.00 27.41 30.30 2hgi h HIS 42 CO -0.69 -0.33 -0.38 1.28 -1.30 0.00 0.00 177.93 176.51 2hgi n LEU 43 N -4.66 -0.69 -0.33 0.26 4.77 0.79 0.30 117.00 117.44 2hgi n LEU 43 Ca -0.01 1.16 0.13 0.00 -0.03 0.00 0.00 56.01 57.25 2hgi n LEU 43 Cb 0.23 -0.15 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 2hgi n LEU 43 CO -0.04 -0.94 0.80 0.11 -1.33 0.00 0.00 177.39 175.99 2hgi h LYS 44 N 0.00 0.03 -2.32 3.23 1.57 0.44 0.55 116.57 120.06 2hgi h LYS 44 Ca 0.11 -0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.17 2hgi h LYS 44 Cb 0.27 -0.01 -0.19 0.00 0.08 0.00 0.00 32.23 32.38 2hgi h LYS 44 CO -0.61 0.02 1.49 0.28 -0.57 0.00 0.00 179.45 180.06 2hgi n VAL 45 N -5.47 4.92 -0.13 0.50 0.31 0.15 -3.25 118.33 115.35 2hgi n VAL 45 Ca 0.21 -4.52 0.00 0.00 -0.01 0.00 0.00 64.34 60.03 2hgi n VAL 45 Cb 0.70 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2hgi n VAL 45 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2hgi n HIS 46 N 0.80 0.00 0.00 3.52 -0.00 0.15 -4.97 115.22 114.73 2hgi n HIS 46 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.27 2hgi n HIS 46 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 2hgi n HIS 46 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hgi n LYS 47 N 0.00 0.00 -4.58 1.57 5.02 0.96 -4.57 118.16 116.55 2hgi n LYS 47 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2hgi n LYS 47 Cb 0.00 -0.15 -0.14 0.00 -0.02 0.00 0.00 35.03 34.72 2hgi n LYS 47 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hgi s LYS 48 N 0.00 1.40 0.00 1.97 1.02 -1.26 -4.81 119.74 118.05 2hgi s LYS 48 Ca 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.94 2hgi s LYS 48 Cb 0.00 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 2hgi s LYS 48 CO 0.00 0.40 0.00 -3.47 -0.92 0.00 0.00 175.35 171.36 2hgi n ASP 49 N 1.59 0.00 -0.34 2.83 2.03 -1.26 -5.04 116.55 116.37 2hgi n ASP 49 Ca -0.18 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.43 2hgi n ASP 49 Cb 0.53 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.43 2hgi n ASP 49 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2hgi n HIS 50 N 0.00 0.58 0.00 -0.67 8.25 -1.26 -1.03 115.22 121.09 2hgi n HIS 50 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 2hgi n HIS 50 Cb 0.00 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.11 2hgi n HIS 50 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2hgi n HIS 51 N -4.27 0.00 -0.19 4.41 8.25 -1.26 -1.25 115.22 120.91 2hgi n HIS 51 Ca 0.30 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.97 2hgi n HIS 51 Cb 1.14 -0.17 0.58 0.00 1.12 0.00 0.00 29.99 32.66 2hgi n HIS 51 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2hgi h SER 52 N 0.00 0.27 0.00 0.41 0.02 -1.52 -1.05 113.55 111.68 2hgi h SER 52 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2hgi h SER 52 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2hgi h SER 52 CO 0.00 0.11 0.00 1.57 -1.14 0.00 0.00 176.83 177.37 2hgi n HIS 53 N -4.44 0.00 -0.35 3.45 -0.00 -0.21 -0.55 115.22 113.11 2hgi n HIS 53 Ca 0.18 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.49 2hgi n HIS 53 Cb 0.73 -0.27 0.33 0.00 -0.12 0.00 0.00 29.99 30.66 2hgi n HIS 53 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2hgi h ARG 54 N 0.00 0.71 0.03 1.57 1.12 -0.31 0.60 114.38 118.11 2hgi h ARG 54 Ca 0.00 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.85 2hgi h ARG 54 Cb 0.00 -0.16 -0.05 0.00 -0.01 0.00 0.00 29.97 29.75 2hgi h ARG 54 CO 0.00 0.47 -0.41 0.78 -3.11 0.00 0.00 179.97 177.70 2hgi h GLY 55 N 0.73 -0.78 -0.97 2.80 0.00 -0.88 -0.14 103.07 103.83 2hgi h GLY 55 Ca 0.58 0.50 0.27 0.00 0.00 0.00 0.00 47.33 48.68 2hgi h GLY 55 CO -0.40 -0.25 0.02 -0.10 0.00 0.00 0.00 176.54 175.81 2hgi n LEU 56 N -5.45 -0.12 0.41 3.11 7.94 0.19 0.29 117.00 123.38 2hgi n LEU 56 Ca -0.06 1.65 -0.16 0.00 -1.11 0.00 0.00 56.01 56.33 2hgi n LEU 56 Cb 0.37 -0.60 -0.08 0.00 0.53 0.00 0.00 43.42 43.64 2hgi n LEU 56 CO 0.17 -1.67 0.51 -0.07 -1.11 0.00 0.00 177.39 175.22 2hgi h LEU 57 N 0.00 -0.89 -0.84 -1.96 4.07 0.20 -0.51 115.31 115.38 2hgi h LEU 57 Ca 0.59 0.03 0.17 0.00 0.08 0.00 0.00 57.88 58.74 2hgi h LEU 57 Cb 1.21 0.23 -0.16 0.00 1.08 0.00 0.00 40.66 43.02 2hgi h LEU 57 CO -0.91 -0.62 -0.21 0.23 -1.08 0.00 0.00 178.44 175.84 2hgi n MET 58 N -4.90 -0.08 -0.13 1.13 2.81 0.15 0.20 117.12 116.30 2hgi n MET 58 Ca -0.13 1.30 -0.04 0.00 -1.81 0.00 0.00 57.70 57.02 2hgi n MET 58 Cb 0.41 -1.95 0.04 0.00 -0.71 0.00 0.00 33.22 31.02 2hgi n MET 58 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 2hgi h MET 59 N 0.00 0.22 -0.28 0.03 1.85 -0.82 -0.45 114.93 115.48 2hgi h MET 59 Ca 0.40 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.54 2hgi h MET 59 Cb 0.61 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.52 2hgi h MET 59 CO -0.86 0.15 -0.17 0.28 -0.40 0.00 0.00 176.91 175.91 2hgi h VAL 60 N 0.23 0.52 -0.43 -5.77 2.07 0.40 -0.60 116.25 112.67 2hgi h VAL 60 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 2hgi h VAL 60 Cb 0.25 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 2hgi h VAL 60 CO -0.26 0.00 -0.15 1.23 0.02 0.00 0.00 177.57 178.41 2hgi h GLY 61 N -0.14 0.24 0.00 2.17 0.00 0.01 -0.86 103.07 104.49 2hgi h GLY 61 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2hgi h GLY 61 CO -0.37 -0.18 0.00 -0.18 0.00 0.00 0.00 176.54 175.81 2hgi n GLN 62 N -5.35 0.00 -0.37 4.80 -0.06 -0.28 -1.13 117.38 114.98 2hgi n GLN 62 Ca 0.03 0.53 -0.01 0.00 -2.00 0.00 0.00 57.00 55.55 2hgi n GLN 62 Cb 0.26 -1.20 0.04 0.00 -4.06 0.00 0.00 30.24 25.29 2hgi n GLN 62 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2hgi n ARG 63 N -1.56 -0.22 0.12 3.69 1.85 -0.31 -0.60 116.66 119.62 2hgi n ARG 63 Ca 0.00 1.50 -0.10 0.00 -1.00 0.00 0.00 57.85 58.24 2hgi n ARG 63 Cb 0.00 -2.22 -0.06 0.00 -1.05 0.00 0.00 32.46 29.13 2hgi n ARG 63 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 2hgi h ARG 64 N 0.00 -0.51 -0.99 2.89 1.12 -0.95 -0.88 114.38 115.07 2hgi h ARG 64 Ca 0.34 0.03 0.35 0.00 -1.11 0.00 0.00 59.98 59.60 2hgi h ARG 64 Cb 0.59 0.12 -0.17 0.00 -0.01 0.00 0.00 29.97 30.49 2hgi h ARG 64 CO -0.97 -0.34 0.44 -0.09 -3.11 0.00 0.00 179.97 175.90 2hgi h ARG 65 N -0.53 0.11 0.36 0.20 2.43 0.72 1.11 114.38 118.78 2hgi h ARG 65 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2hgi h ARG 65 Cb 0.49 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2hgi h ARG 65 CO -0.11 0.07 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.16 2hgi h LEU 66 N 0.11 -0.48 -0.75 3.80 -0.00 -0.46 -0.66 115.31 116.87 2hgi h LEU 66 Ca 0.75 0.02 0.14 0.00 -0.00 0.00 0.00 57.88 58.79 2hgi h LEU 66 Cb 1.83 0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 42.48 2hgi h LEU 66 CO -0.74 -0.32 -0.27 -0.07 -0.00 0.00 0.00 178.44 177.04 2hgi h LEU 67 N -0.52 -0.97 -0.62 1.67 3.38 0.25 0.59 115.31 119.10 2hgi h LEU 67 Ca -0.04 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2hgi h LEU 67 Cb 0.42 0.55 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2hgi h LEU 67 CO 0.06 -0.28 -0.37 -1.14 0.09 0.00 0.00 178.44 176.81 2hgi n ARG 68 N -5.48 -0.27 -0.15 1.13 0.63 -0.08 0.34 116.66 112.78 2hgi n ARG 68 Ca 0.09 1.07 -0.03 0.00 -0.92 0.00 0.00 57.85 58.05 2hgi n ARG 68 Cb 0.39 -1.57 0.03 0.00 0.45 0.00 0.00 32.46 31.76 2hgi n ARG 68 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 2hgi h TYR 69 N 0.00 -0.19 -1.00 -0.14 3.20 0.13 0.19 116.97 119.16 2hgi h TYR 69 Ca 0.10 0.04 0.23 0.00 3.14 0.00 0.00 58.73 62.24 2hgi h TYR 69 Cb 0.25 0.16 -0.19 0.00 1.54 0.00 0.00 36.73 38.49 2hgi h TYR 69 CO -0.76 -0.18 -0.13 1.25 -1.64 0.00 0.00 178.16 176.70 2hgi h LEU 70 N 0.03 -0.75 0.53 2.82 5.85 0.72 2.28 115.31 126.79 2hgi h LEU 70 Ca 0.23 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 59.22 2hgi h LEU 70 Cb 0.35 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2hgi h LEU 70 CO -0.46 -0.35 -0.38 -0.61 -0.34 0.00 0.00 178.44 176.30 2hgi h GLN 71 N 0.00 -0.84 -0.60 1.25 4.15 0.14 -0.50 115.11 118.72 2hgi h GLN 71 Ca 0.53 0.06 0.05 0.00 0.77 0.00 0.00 58.65 60.06 2hgi h GLN 71 Cb 0.95 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 28.76 2hgi h GLN 71 CO -0.99 -0.56 -0.35 -2.13 -1.93 0.00 0.00 178.83 172.87 2hgi n ARG 72 N -4.77 -0.26 -0.05 1.69 0.63 0.76 0.02 116.66 114.67 2hgi n ARG 72 Ca -0.11 0.94 -0.13 0.00 -0.92 0.00 0.00 57.85 57.64 2hgi n ARG 72 Cb 0.37 -1.39 -0.11 0.00 0.45 0.00 0.00 32.46 31.78 2hgi n ARG 72 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2hgi h GLU 73 N 0.00 -0.01 -2.30 -0.14 5.08 -1.15 -3.42 114.58 112.64 2hgi h GLU 73 Ca 0.10 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.94 2hgi h GLU 73 Cb 0.24 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.14 2hgi h GLU 73 CO -0.56 0.80 -0.85 0.34 -1.00 0.00 0.00 179.01 177.75 2hgi s ASP 74 N -6.05 1.82 0.33 1.42 2.15 -0.21 -4.93 116.67 111.21 2hgi s ASP 74 Ca -0.17 -2.36 0.25 0.00 0.43 0.00 0.00 52.55 50.70 2hgi s ASP 74 Cb -0.02 -0.10 1.17 0.00 -0.30 0.00 0.00 42.92 43.67 2hgi s ASP 74 CO 0.62 -0.24 1.76 1.55 -0.17 0.00 0.00 175.17 178.70 2hgi h PRO 75 N 6.42 0.00 0.00 4.34 0.13 -0.22 -2.89 132.00 139.77 2hgi h PRO 75 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2hgi h PRO 75 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2hgi h PRO 75 CO 0.27 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.13 2hgi n GLU 76 N -2.38 0.00 0.14 0.86 4.07 -1.26 -0.18 120.64 121.89 2hgi n GLU 76 Ca 0.00 0.05 0.18 0.00 -0.06 0.00 0.00 57.16 57.34 2hgi n GLU 76 Cb 0.16 -0.80 0.63 0.00 -0.06 0.00 0.00 31.44 31.38 2hgi n GLU 76 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2hgi h ARG 77 N 0.00 0.00 0.00 5.31 1.12 -1.96 0.80 114.38 119.66 2hgi h ARG 77 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2hgi h ARG 77 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2hgi h ARG 77 CO 0.00 0.00 0.00 0.98 -3.11 0.00 0.00 179.97 177.84 2hgi n TYR 78 N -3.26 0.00 -0.34 2.20 -0.00 -0.82 -0.33 117.16 114.60 2hgi n TYR 78 Ca 0.07 0.00 0.29 0.00 -0.00 0.00 0.00 57.90 58.26 2hgi n TYR 78 Cb 0.75 -0.37 0.55 0.00 -0.00 0.00 0.00 39.34 40.27 2hgi n TYR 78 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2hgi h ARG 79 N 0.00 0.14 0.11 2.98 3.08 0.40 0.64 114.38 121.73 2hgi h ARG 79 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hgi h ARG 79 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2hgi h ARG 79 CO 0.00 0.09 -0.29 0.00 -1.07 0.00 0.00 179.97 178.71 2hgi h ALA 80 N 1.88 -0.83 -0.58 0.04 0.00 0.38 0.05 119.26 120.20 2hgi h ALA 80 Ca 0.80 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.75 2hgi h ALA 80 Cb 2.06 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 20.40 2hgi h ALA 80 CO -0.65 -0.89 -0.24 1.25 0.00 0.00 0.00 179.25 178.72 2hgi h LEU 81 N -0.44 -0.83 0.00 0.00 6.46 0.26 0.21 115.31 120.97 2hgi h LEU 81 Ca -0.01 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2hgi h LEU 81 Cb 0.43 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2hgi h LEU 81 CO -0.13 -0.26 0.00 -0.38 -0.62 0.00 0.00 178.44 177.05 2hgi n ILE 82 N -5.43 0.00 -0.39 4.05 5.41 0.05 0.59 119.36 123.64 2hgi n ILE 82 Ca 0.06 1.35 -0.11 0.00 1.00 0.00 0.00 62.75 65.05 2hgi n ILE 82 Cb 0.34 -1.80 -0.10 0.00 -0.71 0.00 0.00 39.64 37.37 2hgi n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2hgi h GLU 83 N 0.00 -0.03 -0.78 0.38 4.57 0.81 0.42 114.58 119.94 2hgi h GLU 83 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 2hgi h GLU 83 Cb 0.00 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.47 2hgi h GLU 83 CO 0.00 -0.02 -0.27 1.17 -1.18 0.00 0.00 179.01 178.70 2hgi n LYS 84 N -5.22 -0.15 -0.09 1.92 4.81 0.20 -2.73 118.16 116.90 2hgi n LYS 84 Ca 0.01 1.21 -0.16 0.00 -0.87 0.00 0.00 58.31 58.50 2hgi n LYS 84 Cb 0.26 -1.79 -0.10 0.00 0.02 0.00 0.00 35.03 33.42 2hgi n LYS 84 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2hgi h LEU 85 N 0.00 0.00 0.00 3.14 4.07 0.12 -3.50 115.31 119.13 2hgi h LEU 85 Ca 0.30 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2hgi h LEU 85 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2hgi h LEU 85 CO -0.78 1.23 0.00 0.61 -1.08 0.00 0.00 178.44 178.41 2hgi n GLY 86 N 1.52 1.34 3.20 0.83 0.00 0.08 -5.11 105.19 107.04 2hgi n GLY 86 Ca -0.22 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2hgi n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hgi n ILE 87 N 0.00 0.07 -1.60 -0.61 5.41 -1.26 -4.66 119.36 116.71 2hgi n ILE 87 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2hgi n ILE 87 Cb 0.00 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2hgi n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2hgi n ARG 88 N 1.67 -4.51 0.00 0.38 1.74 -1.26 -4.94 116.66 109.74 2hgi n ARG 88 Ca 0.06 3.28 0.00 0.00 -0.77 0.00 0.00 57.85 60.42 2hgi n ARG 88 Cb 0.49 -3.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.29 2hgi n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52