#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq h LEU 4 N 0.00 0.31 0.00 2.89 3.38 -2.03 -1.88 115.31 117.98 2hgq h LEU 4 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2hgq h LEU 4 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hgq h LEU 4 CO 0.00 0.08 0.00 0.41 0.09 0.00 0.00 178.44 179.02 2hgq n THR 5 N -4.48 0.00 -0.32 0.22 -1.04 -1.26 -0.84 114.28 106.56 2hgq n THR 5 Ca 0.23 0.28 0.08 0.00 -2.04 0.00 0.00 64.05 62.60 2hgq n THR 5 Cb 0.91 -1.07 0.28 0.00 -1.82 0.00 0.00 70.33 68.64 2hgq n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgq h ALA 6 N -2.42 1.61 -0.63 2.41 0.00 -2.01 0.12 119.26 118.34 2hgq h ALA 6 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2hgq h ALA 6 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.51 2hgq h ALA 6 CO 0.00 0.16 0.21 1.88 0.00 0.00 0.00 179.25 181.50 2hgq h TYR 7 N 0.91 0.35 -0.06 0.00 0.99 -1.43 0.63 116.97 118.36 2hgq h TYR 7 Ca 0.46 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.23 2hgq h TYR 7 Cb 0.50 -0.06 -0.00 0.00 1.00 0.00 0.00 36.73 38.17 2hgq h TYR 7 CO -0.00 0.05 0.03 0.93 -0.00 0.00 0.00 178.16 179.17 2hgq h GLU 8 N 0.37 0.07 -0.43 4.88 5.08 0.12 0.91 114.58 125.57 2hgq h GLU 8 Ca 0.33 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 2hgq h GLU 8 Cb 0.45 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 2hgq h GLU 8 CO -0.35 0.05 -0.15 -2.13 -1.00 0.00 0.00 179.01 175.42 2hgq n ARG 9 N -5.06 -0.08 0.00 2.33 3.00 0.21 -0.48 116.66 116.58 2hgq n ARG 9 Ca -0.06 0.66 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2hgq n ARG 9 Cb 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.51 2hgq n ARG 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hgq n ARG 10 N -4.65 0.00 0.25 -0.14 5.12 0.10 -1.88 116.66 115.47 2hgq n ARG 10 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2hgq n ARG 10 Cb 0.18 -0.85 0.02 0.00 -1.16 0.00 0.00 32.46 30.66 2hgq n ARG 10 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2hgq h LYS 11 N 0.00 0.00 0.00 5.56 6.56 0.76 0.25 116.57 129.70 2hgq h LYS 11 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2hgq h LYS 11 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2hgq h LYS 11 CO 0.00 0.00 -0.04 0.27 -2.06 0.00 0.00 179.45 177.62 2hgq h PHE 12 N 0.00 0.00 -0.96 -1.35 -5.15 -0.69 0.79 116.94 109.58 2hgq h PHE 12 Ca 0.00 0.00 0.25 0.00 -0.20 0.00 0.00 57.97 58.02 2hgq h PHE 12 Cb 1.73 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.84 2hgq h PHE 12 CO 0.00 0.21 0.66 -0.09 -2.00 0.00 0.00 178.31 177.08 2hgq h ARG 13 N -1.00 0.24 0.00 6.09 2.43 0.15 -1.74 114.38 120.55 2hgq h ARG 13 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2hgq h ARG 13 Cb 0.23 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2hgq h ARG 13 CO -0.00 0.16 0.00 0.28 -1.51 0.00 0.00 179.97 178.89 2hgq n VAL 14 N -4.43 0.00 -0.30 0.20 0.31 -0.15 -0.94 118.33 113.03 2hgq n VAL 14 Ca 0.21 0.11 0.28 0.00 -0.01 0.00 0.00 64.34 64.93 2hgq n VAL 14 Cb 0.88 -0.80 0.52 0.00 -0.91 0.00 0.00 33.84 33.53 2hgq n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2hgq n ARG 15 N 0.00 -0.05 0.07 5.55 5.12 0.25 0.11 116.66 127.72 2hgq n ARG 15 Ca 0.00 1.16 -0.13 0.00 -1.93 0.00 0.00 57.85 56.95 2hgq n ARG 15 Cb 0.00 -2.11 -0.09 0.00 -1.16 0.00 0.00 32.46 29.10 2hgq n ARG 15 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 2hgq h ASN 16 N 0.00 -0.17 -0.62 0.55 -1.07 -1.26 -0.50 115.58 112.51 2hgq h ASN 16 Ca 0.73 -0.28 0.08 0.00 0.07 0.00 0.00 56.30 56.90 2hgq h ASN 16 Cb 2.00 0.04 -0.11 0.00 -2.07 0.00 0.00 38.32 38.19 2hgq h ASN 16 CO -0.61 0.21 -0.48 -0.09 0.07 0.00 0.00 177.43 176.53 2hgq h ARG 17 N -0.58 -0.21 -0.39 4.14 2.43 0.15 -1.08 114.38 118.84 2hgq h ARG 17 Ca -0.02 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2hgq h ARG 17 Cb 0.44 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.95 2hgq h ARG 17 CO 0.03 -0.14 -0.40 0.82 -1.51 0.00 0.00 179.97 178.77 2hgq h ILE 18 N -0.22 0.15 -0.45 1.20 5.03 -0.61 0.12 117.51 122.73 2hgq h ILE 18 Ca 0.17 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 65.00 2hgq h ILE 18 Cb 0.55 0.15 -0.09 0.00 -3.03 0.00 0.00 36.82 34.40 2hgq h ILE 18 CO -0.72 0.00 -0.19 0.50 -0.68 0.00 0.00 178.15 177.06 2hgq h LYS 19 N -0.32 -0.09 -5.02 2.37 3.11 -0.17 -3.39 116.57 113.05 2hgq h LYS 19 Ca 0.14 0.01 -0.56 0.00 -2.81 0.00 0.00 60.65 57.43 2hgq h LYS 19 Cb 0.58 0.02 0.09 0.00 -1.00 0.00 0.00 32.23 31.92 2hgq h LYS 19 CO -0.55 -0.06 -0.44 0.54 -2.81 0.00 0.00 179.45 176.13 2hgq n ARG 20 N -5.38 0.00 -3.26 1.90 5.12 0.42 -4.91 116.66 110.55 2hgq n ARG 20 Ca 0.03 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.90 2hgq n ARG 20 Cb 0.29 -0.84 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 2hgq n ARG 20 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hgq s THR 21 N -0.83 -0.77 -0.05 0.55 -4.23 -1.26 -4.92 115.64 104.12 2hgq s THR 21 Ca 0.54 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 2hgq s THR 21 Cb -0.78 -0.42 0.12 0.00 1.34 0.00 0.00 72.50 72.76 2hgq s THR 21 CO 0.47 -0.20 1.03 0.61 -0.54 0.00 0.00 174.62 175.99 2hgq n GLY 22 N 4.59 3.19 1.29 3.99 0.00 -1.26 -5.05 105.19 111.95 2hgq n GLY 22 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2hgq n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgq n ARG 23 N -0.82 0.00 -4.32 1.61 3.00 -1.26 -4.17 116.66 110.70 2hgq n ARG 23 Ca 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.75 2hgq n ARG 23 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.82 2hgq n ARG 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2hgq s LEU 24 N 0.00 2.37 -0.12 6.15 1.02 -1.26 -3.94 118.68 122.89 2hgq s LEU 24 Ca 0.00 -1.13 -0.09 0.00 0.02 0.00 0.00 54.13 52.93 2hgq s LEU 24 Cb 0.00 -0.37 0.04 0.00 0.02 0.00 0.00 46.19 45.88 2hgq s LEU 24 CO 0.00 -0.40 0.31 0.00 0.02 0.00 0.00 176.35 176.28 2hgq s ARG 25 N -3.79 0.33 -0.01 1.70 1.70 0.08 -0.52 118.95 118.45 2hgq s ARG 25 Ca 0.24 0.51 -0.07 0.00 -0.47 0.00 0.00 55.73 55.94 2hgq s ARG 25 Cb 0.04 0.08 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 2hgq s ARG 25 CO 0.06 -0.09 0.26 -1.17 -1.08 0.00 0.00 175.30 173.28 2hgq s LEU 26 N 0.60 4.38 -0.74 -1.89 1.98 -0.07 -0.86 118.68 122.09 2hgq s LEU 26 Ca -0.04 0.56 -0.08 0.00 -2.89 0.00 0.00 54.13 51.69 2hgq s LEU 26 Cb -0.05 -2.59 0.19 0.00 0.66 0.00 0.00 46.19 44.40 2hgq s LEU 26 CO -0.04 0.28 0.62 -0.44 -1.89 0.00 0.00 176.35 174.87 2hgq s SER 27 N -1.60 5.96 0.00 3.68 0.01 0.00 -0.85 113.70 120.91 2hgq s SER 27 Ca 0.26 -2.87 0.00 0.00 1.31 0.00 0.00 55.95 54.64 2hgq s SER 27 Cb -0.13 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2hgq s SER 27 CO 0.15 -0.44 0.00 0.55 0.41 0.00 0.00 173.24 173.91 2hgq n VAL 28 N 3.58 0.00 0.00 3.43 3.14 -1.26 -3.04 118.33 124.18 2hgq n VAL 28 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2hgq n VAL 28 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 2hgq n VAL 28 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 2hgq n PHE 29 N -0.14 0.00 -0.64 1.45 -0.00 -1.25 -4.64 117.46 112.24 2hgq n PHE 29 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 2hgq n PHE 29 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2hgq n PHE 29 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 2hgq n ARG 30 N 0.00 -0.29 -1.05 -4.13 1.85 -1.26 -4.19 116.66 107.59 2hgq n ARG 30 Ca 0.00 0.19 0.10 0.00 -1.00 0.00 0.00 57.85 57.15 2hgq n ARG 30 Cb 0.00 -0.36 -0.05 0.00 -1.05 0.00 0.00 32.46 31.00 2hgq n ARG 30 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2hgq n SER 31 N -4.13 -4.72 0.00 2.89 2.88 -1.26 -1.38 113.62 107.90 2hgq n SER 31 Ca 0.00 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2hgq n SER 31 Cb 0.07 -3.45 0.00 0.00 -0.75 0.00 0.00 64.21 60.08 2hgq n SER 31 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hgq n LEU 32 N -3.59 0.00 -0.21 2.46 4.32 -1.26 -2.32 117.00 116.41 2hgq n LEU 32 Ca -0.04 0.00 0.25 0.00 -0.02 0.00 0.00 56.01 56.20 2hgq n LEU 32 Cb 0.49 0.00 0.39 0.00 -1.62 0.00 0.00 43.42 42.68 2hgq n LEU 32 CO 0.02 0.00 1.10 0.29 -1.22 0.00 0.00 177.39 177.58 2hgq n LYS 33 N 0.00 0.01 0.00 3.23 5.02 -1.26 0.68 118.16 125.84 2hgq n LYS 33 Ca 0.00 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 2hgq n LYS 33 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 2hgq n LYS 33 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2hgq n HIS 34 N -3.02 0.00 -0.29 2.13 -0.00 -1.26 -4.81 115.22 107.97 2hgq n HIS 34 Ca 0.21 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.29 2hgq n HIS 34 Cb 1.36 -0.49 0.01 0.00 -0.12 0.00 0.00 29.99 30.75 2hgq n HIS 34 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 2hgq n ILE 35 N -2.34 0.00 0.00 3.57 0.13 0.21 -5.01 119.36 115.93 2hgq n ILE 35 Ca 0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 62.75 61.52 2hgq n ILE 35 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 2hgq n ILE 35 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2hgq n TYR 36 N -0.53 0.00 -4.51 9.51 9.36 -1.26 -4.96 117.16 124.76 2hgq n TYR 36 Ca 0.01 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 2hgq n TYR 36 Cb 0.14 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.68 2hgq n TYR 36 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2hgq s ALA 37 N -1.19 1.22 0.03 2.98 0.00 -1.26 -3.78 121.76 119.77 2hgq s ALA 37 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.63 2hgq s ALA 37 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2hgq s ALA 37 CO 0.00 0.07 -0.17 1.14 0.00 0.00 0.00 175.76 176.80 2hgq s GLN 38 N 0.74 2.12 0.08 0.00 -2.07 -1.17 -0.65 119.66 118.71 2hgq s GLN 38 Ca -0.13 -0.95 -0.15 0.00 -1.82 0.00 0.00 55.36 52.31 2hgq s GLN 38 Cb -0.16 -2.21 -0.06 0.00 -1.09 0.00 0.00 33.01 29.49 2hgq s GLN 38 CO 0.03 0.55 0.49 0.42 -1.32 0.00 0.00 175.29 175.45 2hgq s ILE 39 N -0.92 4.92 0.15 3.63 1.01 -0.58 -0.82 121.20 128.59 2hgq s ILE 39 Ca 0.15 0.86 -0.03 0.00 0.00 0.00 0.00 60.65 61.63 2hgq s ILE 39 Cb -0.11 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2hgq s ILE 39 CO 0.05 0.42 0.12 -0.63 0.00 0.00 0.00 174.94 174.90 2hgq s ILE 40 N -1.26 0.08 0.00 2.92 1.09 -0.03 -2.60 121.20 121.39 2hgq s ILE 40 Ca 0.31 -1.82 0.00 0.00 -1.10 0.00 0.00 60.65 58.04 2hgq s ILE 40 Cb -0.16 -2.09 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 2hgq s ILE 40 CO 0.17 -0.34 0.00 -0.90 -0.10 0.00 0.00 174.94 173.77 2hgq n ASP 41 N -0.15 0.00 -4.77 3.58 3.85 -1.26 -0.74 116.55 117.06 2hgq n ASP 41 Ca -0.04 0.00 -0.39 0.00 -0.71 0.00 0.00 54.79 53.65 2hgq n ASP 41 Cb 0.64 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.40 2hgq n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hgq s ASP 42 N 1.00 6.32 0.00 -1.12 3.68 -1.25 -4.76 116.67 120.53 2hgq s ASP 42 Ca 0.00 2.51 0.00 0.00 2.13 0.00 0.00 52.55 57.19 2hgq s ASP 42 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 2hgq s ASP 42 CO 0.00 -0.83 0.22 -0.62 0.13 0.00 0.00 175.17 174.07 2hgq n GLU 43 N -0.01 0.14 -0.36 4.34 -0.58 -1.26 -3.80 120.64 119.11 2hgq n GLU 43 Ca 0.05 0.00 0.31 0.00 -0.42 0.00 0.00 57.16 57.09 2hgq n GLU 43 Cb 0.45 -1.43 0.57 0.00 -0.57 0.00 0.00 31.44 30.46 2hgq n GLU 43 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2hgq h LYS 44 N 2.64 0.13 0.00 3.49 1.79 -2.03 -3.43 116.57 119.16 2hgq h LYS 44 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2hgq h LYS 44 Cb 0.14 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2hgq h LYS 44 CO 0.00 0.08 0.00 0.41 -1.08 0.00 0.00 179.45 178.86 2hgq n GLY 45 N -1.34 3.23 3.51 3.86 0.00 -1.25 -5.14 105.19 108.06 2hgq n GLY 45 Ca 0.36 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2hgq n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgq s VAL 46 N 0.00 1.66 -0.33 1.61 -7.23 -1.26 -5.09 120.40 109.75 2hgq s VAL 46 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2hgq s VAL 46 Cb 0.00 -2.30 0.19 0.00 0.56 0.00 0.00 36.38 34.83 2hgq s VAL 46 CO 0.00 0.00 0.77 -0.89 -0.31 0.00 0.00 175.10 174.67 2hgq s THR 47 N -2.70 -0.73 0.00 5.32 2.01 -1.26 -4.57 115.64 113.71 2hgq s THR 47 Ca 0.69 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.69 2hgq s THR 47 Cb -0.15 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 71.96 2hgq s THR 47 CO 0.59 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.70 2hgq n LEU 48 N 4.78 0.00 -4.57 4.42 4.77 -1.07 -4.85 117.00 120.49 2hgq n LEU 48 Ca 0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 2hgq n LEU 48 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 2hgq n LEU 48 CO -0.07 0.00 -0.39 0.54 -1.33 0.00 0.00 177.39 176.14 2hgq s VAL 49 N 0.00 2.92 -0.23 4.08 0.11 -1.26 -4.93 120.40 121.09 2hgq s VAL 49 Ca 0.00 -2.14 -0.13 0.00 -2.93 0.00 0.00 61.98 56.78 2hgq s VAL 49 Cb 0.00 -2.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 2hgq s VAL 49 CO 0.00 -0.36 0.27 -0.94 -3.33 0.00 0.00 175.10 170.74 2hgq s SER 50 N -3.61 6.25 0.00 3.54 1.04 -1.26 -1.53 113.70 118.13 2hgq s SER 50 Ca 0.31 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2hgq s SER 50 Cb -0.05 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2hgq s SER 50 CO 0.18 -0.00 0.00 0.00 0.98 0.00 0.00 173.24 174.39 2hgq n ALA 51 N 4.41 0.00 -3.67 5.32 0.00 0.18 -4.81 120.51 121.94 2hgq n ALA 51 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 2hgq n ALA 51 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 2hgq n ALA 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hgq s SER 52 N -2.88 3.81 0.14 0.00 1.04 -1.26 -4.49 113.70 110.06 2hgq s SER 52 Ca 0.00 -1.68 -0.33 0.00 0.48 0.00 0.00 55.95 54.42 2hgq s SER 52 Cb 0.00 -0.72 -0.12 0.00 0.10 0.00 0.00 66.02 65.27 2hgq s SER 52 CO 0.00 -0.40 1.71 -1.54 0.98 0.00 0.00 173.24 173.98 2hgq n SER 53 N 4.78 3.59 -3.34 7.02 3.41 -1.26 -4.56 113.62 123.26 2hgq n SER 53 Ca -0.01 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2hgq n SER 53 Cb 0.41 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 2hgq n SER 53 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2hgq n LEU 54 N 4.38 0.00 -3.38 1.04 7.94 -1.26 -4.66 117.00 121.06 2hgq n LEU 54 Ca 0.17 -0.38 -0.39 0.00 -1.11 0.00 0.00 56.01 54.30 2hgq n LEU 54 Cb 0.32 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.25 2hgq n LEU 54 CO 0.65 -0.44 3.05 0.00 -1.11 0.00 0.00 177.39 179.54 2hgq n ALA 55 N 2.24 7.29 -0.94 1.96 0.00 -1.26 -4.97 120.51 124.82 2hgq n ALA 55 Ca 0.00 -3.73 -0.37 0.00 0.00 0.00 0.00 53.44 49.34 2hgq n ALA 55 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 19.45 16.24 2hgq n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgq n LEU 56 N 2.95 -0.08 0.00 0.00 7.99 -1.26 -4.94 117.00 121.66 2hgq n LEU 56 Ca 0.73 0.73 0.00 0.00 -0.01 0.00 0.00 56.01 57.46 2hgq n LEU 56 Cb 0.24 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.96 2hgq n LEU 56 CO 0.80 -1.27 -0.22 1.17 -1.51 0.00 0.00 177.39 176.36 2hgq n LYS 57 N 0.92 3.34 0.00 3.23 0.00 -1.26 -5.02 118.16 119.37 2hgq n LYS 57 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.44 2hgq n LYS 57 Cb 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.41 2hgq n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2hgq n LEU 58 N -1.05 0.00 0.02 3.14 7.94 -1.26 -5.00 117.00 120.79 2hgq n LEU 58 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2hgq n LEU 58 Cb 0.00 0.00 0.04 0.00 0.53 0.00 0.00 43.42 43.99 2hgq n LEU 58 CO 0.00 0.00 0.54 0.29 -1.11 0.00 0.00 177.39 177.11 2hgq n LYS 59 N 0.00 0.01 -0.06 1.96 4.01 -1.26 -4.21 118.16 118.60 2hgq n LYS 59 Ca 0.00 0.27 -0.03 0.00 -0.51 0.00 0.00 58.31 58.04 2hgq n LYS 59 Cb 0.00 -1.83 0.03 0.00 -0.51 0.00 0.00 35.03 32.72 2hgq n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2hgq n GLY 60 N -1.23 -2.26 1.30 0.72 0.00 -1.26 -4.41 105.19 98.06 2hgq n GLY 60 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2hgq n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hgq n ASN 61 N -1.88 0.00 -3.99 1.61 3.02 -1.26 -4.57 115.26 108.19 2hgq n ASN 61 Ca 0.01 -0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 2hgq n ASN 61 Cb 0.05 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 2hgq n ASN 61 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2hgq n LYS 62 N 0.80 3.86 0.00 3.52 4.76 -1.26 -4.48 118.16 125.35 2hgq n LYS 62 Ca 0.00 -3.92 0.00 0.00 -2.87 0.00 0.00 58.31 51.52 2hgq n LYS 62 Cb 0.00 -2.79 0.00 0.00 -1.84 0.00 0.00 35.03 30.40 2hgq n LYS 62 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2hgq n THR 63 N 2.80 1.58 0.08 -0.18 -1.04 -1.26 0.59 114.28 116.84 2hgq n THR 63 Ca 0.34 0.40 -0.11 0.00 -2.04 0.00 0.00 64.05 62.65 2hgq n THR 63 Cb 0.36 -1.40 -0.13 0.00 -1.82 0.00 0.00 70.33 67.34 2hgq n THR 63 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2hgq h GLU 64 N 0.00 0.11 -0.95 -2.82 4.57 -1.92 0.57 114.58 114.15 2hgq h GLU 64 Ca 0.00 -0.19 0.28 0.00 -1.18 0.00 0.00 59.36 58.27 2hgq h GLU 64 Cb 0.01 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 28.53 2hgq h GLU 64 CO 0.00 1.08 0.43 -0.39 -1.18 0.00 0.00 179.01 178.96 2hgq h VAL 65 N 0.03 0.32 0.00 0.32 -1.51 1.60 0.26 116.25 117.27 2hgq h VAL 65 Ca -0.07 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2hgq h VAL 65 Cb 1.86 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2hgq h VAL 65 CO 0.16 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.55 2hgq n ALA 66 N -2.47 0.00 -0.14 5.19 0.00 -0.56 -1.44 120.51 121.10 2hgq n ALA 66 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.85 2hgq n ALA 66 Cb 0.84 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.54 2hgq n ALA 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2hgq n ARG 67 N -0.32 -0.02 0.00 0.00 3.00 0.12 0.74 116.66 120.18 2hgq n ARG 67 Ca 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 58.39 2hgq n ARG 67 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 31.47 2hgq n ARG 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2hgq n GLN 68 N -3.82 0.00 -0.29 -0.14 6.02 0.03 -1.00 117.38 118.19 2hgq n GLN 68 Ca 0.15 0.15 0.27 0.00 -0.01 0.00 0.00 57.00 57.56 2hgq n GLN 68 Cb 0.53 -1.02 0.48 0.00 1.02 0.00 0.00 30.24 31.26 2hgq n GLN 68 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2hgq n VAL 69 N -0.94 -0.27 0.00 5.09 0.31 0.23 -0.32 118.33 122.42 2hgq n VAL 69 Ca 0.00 1.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.82 2hgq n VAL 69 Cb 0.00 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 2hgq n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgq n GLY 70 N -1.28 -2.97 0.31 2.92 0.00 -0.22 -0.85 105.19 103.11 2hgq n GLY 70 Ca 0.30 0.02 0.29 0.00 0.00 0.00 0.00 46.02 46.62 2hgq n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq n ARG 71 N -0.53 -0.04 0.00 1.61 1.74 0.56 0.16 116.66 120.16 2hgq n ARG 71 Ca 0.00 1.07 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 2hgq n ARG 71 Cb 0.00 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 2hgq n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hgq n ALA 72 N -2.47 -0.08 -0.42 7.54 0.00 -0.20 -1.30 120.51 123.59 2hgq n ALA 72 Ca 0.32 0.00 0.37 0.00 0.00 0.00 0.00 53.44 54.13 2hgq n ALA 72 Cb 1.14 0.11 0.64 0.00 0.00 0.00 0.00 19.45 21.34 2hgq n ALA 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgq n LEU 73 N -1.10 0.25 -0.03 0.00 4.32 0.42 -0.52 117.00 120.34 2hgq n LEU 73 Ca 0.00 1.46 -0.04 0.00 -0.02 0.00 0.00 56.01 57.41 2hgq n LEU 73 Cb 0.00 -0.72 -0.03 0.00 -1.62 0.00 0.00 43.42 41.06 2hgq n LEU 73 CO 0.00 -1.61 0.50 0.00 -1.22 0.00 0.00 177.39 175.06 2hgq h ALA 74 N 1.71 -0.47 -0.56 -1.18 0.00 0.34 -0.07 119.26 119.03 2hgq h ALA 74 Ca 0.86 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.66 2hgq h ALA 74 Cb 2.61 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 21.16 2hgq h ALA 74 CO -0.56 -0.53 -0.06 0.93 0.00 0.00 0.00 179.25 179.02 2hgq h GLU 75 N -0.12 1.03 -0.84 0.00 5.08 0.55 -0.76 114.58 119.52 2hgq h GLU 75 Ca 0.02 -0.35 0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2hgq h GLU 75 Cb 0.17 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 2hgq h GLU 75 CO -0.15 1.04 -0.53 -0.22 -1.00 0.00 0.00 179.01 178.16 2hgq h LYS 76 N 0.93 -0.04 0.33 2.33 3.11 -0.50 0.27 116.57 123.00 2hgq h LYS 76 Ca 0.15 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.98 2hgq h LYS 76 Cb 0.62 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 2hgq h LYS 76 CO 0.04 -0.03 -0.16 0.00 -2.81 0.00 0.00 179.45 176.50 2hgq h ALA 77 N 0.29 -0.44 0.00 5.00 0.00 -1.07 0.44 119.26 123.47 2hgq h ALA 77 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2hgq h ALA 77 Cb 0.39 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2hgq h ALA 77 CO -0.81 -0.58 0.00 -0.11 0.00 0.00 0.00 179.25 177.75 2hgq n LEU 78 N -5.15 0.00 -0.12 0.00 -0.00 0.82 0.17 117.00 112.72 2hgq n LEU 78 Ca -0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.76 2hgq n LEU 78 Cb 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.56 2hgq n LEU 78 CO 0.30 0.00 -1.28 0.00 -0.00 0.00 0.00 177.39 176.42 2hgq n ALA 79 N -3.23 1.47 -0.09 1.96 0.00 -0.46 -4.38 120.51 115.78 2hgq n ALA 79 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 53.44 52.30 2hgq n ALA 79 Cb 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.36 2hgq n ALA 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2hgq n LEU 80 N -3.10 -0.12 -3.59 0.00 -0.00 0.45 0.13 117.00 110.77 2hgq n LEU 80 Ca -0.41 0.42 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 2hgq n LEU 80 Cb 1.02 -0.11 -0.09 0.00 -0.00 0.00 0.00 43.42 44.24 2hgq n LEU 80 CO 0.30 -0.38 0.08 0.61 -0.00 0.00 0.00 177.39 177.99 2hgq n GLY 81 N -1.13 4.59 4.42 -3.96 0.00 -0.30 -5.03 105.19 103.78 2hgq n GLY 81 Ca 0.03 -2.72 0.00 0.00 0.00 0.00 0.00 46.02 43.33 2hgq n GLY 81 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hgq n ILE 82 N 1.20 0.00 -3.88 -0.61 -5.35 0.36 -4.50 119.36 106.58 2hgq n ILE 82 Ca 0.27 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.52 2hgq n ILE 82 Cb 0.39 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.12 2hgq n ILE 82 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2hgq s LYS 83 N 0.00 0.83 0.31 6.28 1.02 -1.26 -4.24 119.74 122.68 2hgq s LYS 83 Ca 0.00 -0.01 -0.18 0.00 0.02 0.00 0.00 55.97 55.80 2hgq s LYS 83 Cb 0.00 -1.06 0.03 0.00 -0.52 0.00 0.00 37.83 36.28 2hgq s LYS 83 CO 0.00 -0.25 0.72 -0.65 -0.92 0.00 0.00 175.35 174.25 2hgq s GLN 84 N 1.69 1.93 -0.04 1.68 1.11 -1.26 -5.19 119.66 119.58 2hgq s GLN 84 Ca 0.01 -1.18 -0.02 0.00 0.01 0.00 0.00 55.36 54.19 2hgq s GLN 84 Cb -0.13 0.60 0.02 0.00 -1.01 0.00 0.00 33.01 32.50 2hgq s GLN 84 CO -0.05 -0.88 0.09 0.14 0.01 0.00 0.00 175.29 174.60 2hgq s VAL 85 N -3.37 -0.03 0.00 1.09 -7.23 -1.26 -5.10 120.40 104.50 2hgq s VAL 85 Ca 0.14 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 2hgq s VAL 85 Cb -0.05 -0.14 0.00 0.00 0.56 0.00 0.00 36.38 36.74 2hgq s VAL 85 CO 0.09 0.05 0.00 0.00 -0.31 0.00 0.00 175.10 174.93 2hgq n ALA 86 N 3.73 0.00 -2.74 1.32 0.00 -1.26 -4.50 120.51 117.06 2hgq n ALA 86 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2hgq n ALA 86 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2hgq n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hgq n PHE 87 N 0.00 0.00 -3.39 0.00 7.35 0.32 -4.95 117.46 116.80 2hgq n PHE 87 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2hgq n PHE 87 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2hgq n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2hgq n ASP 88 N 0.00 -0.11 0.00 -2.13 5.75 -1.26 -0.89 116.55 117.91 2hgq n ASP 88 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 2hgq n ASP 88 Cb 0.00 0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2hgq n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2hgq n ARG 89 N -0.04 0.00 0.00 0.11 3.00 -0.03 -4.82 116.66 114.88 2hgq n ARG 89 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2hgq n ARG 89 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.50 2hgq n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgq n GLY 90 N 5.00 3.44 0.34 5.14 0.00 -1.26 -4.90 105.19 112.95 2hgq n GLY 90 Ca 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 46.02 44.88 2hgq n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgq n PRO 91 N 0.29 1.43 -3.89 1.61 -0.04 -1.26 -4.91 135.00 128.23 2hgq n PRO 91 Ca 0.00 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 2hgq n PRO 91 Cb 0.00 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2hgq n PRO 91 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2hgq s TYR 92 N -1.78 0.03 1.04 0.54 5.04 -1.26 -5.07 117.35 115.88 2hgq s TYR 92 Ca 0.17 -0.26 -0.12 0.00 -2.44 0.00 0.00 57.07 54.42 2hgq s TYR 92 Cb 0.09 0.61 0.17 0.00 0.35 0.00 0.00 41.96 43.19 2hgq s TYR 92 CO 0.12 -0.54 0.85 1.17 -1.34 0.00 0.00 175.55 175.81 2hgq n LYS 93 N -0.75 -1.25 -3.28 4.97 4.81 -1.26 -4.89 118.16 116.50 2hgq n LYS 93 Ca -0.01 -0.32 -0.46 0.00 -0.87 0.00 0.00 58.31 56.65 2hgq n LYS 93 Cb 0.60 -2.14 -0.01 0.00 0.02 0.00 0.00 35.03 33.49 2hgq n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hgq s TYR 94 N -2.47 3.84 0.00 5.64 1.51 -1.26 -4.07 117.35 120.54 2hgq s TYR 94 Ca 0.65 -2.14 0.00 0.00 -1.01 0.00 0.00 57.07 54.56 2hgq s TYR 94 Cb -0.22 -3.89 0.00 0.00 -0.11 0.00 0.00 41.96 37.74 2hgq s TYR 94 CO 0.63 -1.04 0.00 -2.39 -1.11 0.00 0.00 175.55 171.64 2hgq n HIS 95 N 3.92 0.00 -1.25 2.71 1.44 -1.26 -4.47 115.22 116.31 2hgq n HIS 95 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 2hgq n HIS 95 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 2hgq n HIS 95 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hgq n GLY 96 N 0.27 5.22 0.00 -1.39 0.00 -1.26 -4.64 105.19 103.40 2hgq n GLY 96 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2hgq n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq n ARG 97 N 0.00 0.00 -0.13 1.61 5.12 -1.26 0.31 116.66 122.31 2hgq n ARG 97 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 2hgq n ARG 97 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2hgq n ARG 97 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2hgq h VAL 98 N 0.00 1.27 -1.00 1.55 3.04 -1.91 -0.79 116.25 118.42 2hgq h VAL 98 Ca 0.00 -1.48 0.12 0.00 -1.01 0.00 0.00 66.70 64.34 2hgq h VAL 98 Cb 0.00 1.31 -0.08 0.00 -2.01 0.00 0.00 31.29 30.50 2hgq h VAL 98 CO 0.00 0.50 0.63 0.50 -1.01 0.00 0.00 177.57 178.19 2hgq h LYS 99 N 0.76 0.95 0.00 4.17 3.64 0.47 -0.51 116.57 126.05 2hgq h LYS 99 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2hgq h LYS 99 Cb 0.89 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2hgq h LYS 99 CO 0.08 0.63 0.00 0.00 -2.27 0.00 0.00 179.45 177.89 2hgq n ALA 100 N -2.35 -0.30 -0.43 5.00 0.00 0.21 -1.11 120.51 121.53 2hgq n ALA 100 Ca 0.19 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.99 2hgq n ALA 100 Cb 0.36 0.12 0.64 0.00 0.00 0.00 0.00 19.45 20.57 2hgq n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hgq h LEU 101 N 0.00 0.26 0.00 0.00 7.12 -0.75 0.41 115.31 122.35 2hgq h LEU 101 Ca 0.00 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.16 2hgq h LEU 101 Cb 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 2hgq h LEU 101 CO 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 178.44 178.12 2hgq n ALA 102 N -2.50 -0.06 -0.44 1.25 0.00 -0.24 -0.82 120.51 117.71 2hgq n ALA 102 Ca 0.37 0.00 0.36 0.00 0.00 0.00 0.00 53.44 54.17 2hgq n ALA 102 Cb 1.40 0.08 0.67 0.00 0.00 0.00 0.00 19.45 21.61 2hgq n ALA 102 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hgq h GLU 103 N 0.00 0.11 0.52 0.00 3.07 0.13 0.58 114.58 119.00 2hgq h GLU 103 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2hgq h GLU 103 Cb 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2hgq h GLU 103 CO 0.00 0.07 -0.46 0.78 -1.40 0.00 0.00 179.01 178.00 2hgq h GLY 104 N 0.11 -1.23 -0.14 -3.84 0.00 -0.65 0.07 103.07 97.39 2hgq h GLY 104 Ca 0.74 0.56 0.10 0.00 0.00 0.00 0.00 47.33 48.72 2hgq h GLY 104 CO -0.23 -0.38 -0.22 0.00 0.00 0.00 0.00 176.54 175.71 2hgq h ALA 105 N -1.04 0.15 -0.73 3.60 0.00 0.21 -0.74 119.26 120.70 2hgq h ALA 105 Ca -0.07 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2hgq h ALA 105 Cb 0.82 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 2hgq h ALA 105 CO -0.02 -0.55 -0.40 -2.13 0.00 0.00 0.00 179.25 176.14 2hgq n ARG 106 N -5.41 -0.29 -0.07 0.00 0.00 0.38 0.33 116.66 111.61 2hgq n ARG 106 Ca 0.04 1.11 -0.11 0.00 -0.00 0.00 0.00 57.85 58.89 2hgq n ARG 106 Cb 0.31 -1.63 -0.05 0.00 0.00 0.00 0.00 32.46 31.10 2hgq n ARG 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2hgq h GLU 107 N 0.00 0.35 -0.60 -0.14 4.39 -0.30 0.16 114.58 118.44 2hgq h GLU 107 Ca 0.15 -0.09 0.18 0.00 0.34 0.00 0.00 59.36 59.94 2hgq h GLU 107 Cb 0.33 -0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.82 2hgq h GLU 107 CO -0.69 0.48 0.08 0.41 -1.16 0.00 0.00 179.01 178.12 2hgq n GLY 108 N -0.49 -0.73 0.12 -3.84 0.00 1.01 0.31 105.19 101.56 2hgq n GLY 108 Ca -0.04 0.56 -0.21 0.00 0.00 0.00 0.00 46.02 46.33 2hgq n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hgq h GLY 109 N 0.00 0.14 -0.33 -0.02 0.00 -0.85 -3.40 103.07 98.61 2hgq h GLY 109 Ca 0.39 -0.35 0.29 0.00 0.00 0.00 0.00 47.33 47.67 2hgq h GLY 109 CO -0.54 0.30 0.67 -2.00 0.00 0.00 0.00 176.54 174.98 2hgq h LEU 110 N -0.58 0.47 -1.09 3.11 5.85 0.20 -3.46 115.31 119.80 2hgq h LEU 110 Ca -0.35 0.11 -0.51 0.00 0.84 0.00 0.00 57.88 57.98 2hgq h LEU 110 Cb 1.58 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.55 2hgq h LEU 110 CO -0.07 0.02 -0.80 -0.62 -0.34 0.00 0.00 178.44 176.63 2hgq n GLU 111 N -4.73 -4.45 0.00 1.25 -0.58 -0.09 -5.06 120.64 106.98 2hgq n GLU 111 Ca 0.28 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 2hgq n GLU 111 Cb 0.95 -5.28 0.00 0.00 -0.57 0.00 0.00 31.44 26.54 2hgq n GLU 111 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62