#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu h LEU 4 N 0.00 -0.26 0.00 2.89 3.38 -2.02 -1.82 115.31 117.48 2hgu h LEU 4 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2hgu h LEU 4 Cb 0.00 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2hgu h LEU 4 CO 0.00 -0.23 0.00 0.41 0.09 0.00 0.00 178.44 178.71 2hgu n THR 5 N -5.35 0.00 0.33 0.22 -1.04 -1.26 -0.76 114.28 106.42 2hgu n THR 5 Ca 0.20 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.36 2hgu n THR 5 Cb 0.65 -0.41 0.59 0.00 -1.82 0.00 0.00 70.33 69.33 2hgu n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgu h ALA 6 N -2.94 1.00 0.19 2.41 0.00 -1.99 -0.31 119.26 117.61 2hgu h ALA 6 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hgu h ALA 6 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hgu h ALA 6 CO 0.00 0.00 -0.15 -0.92 0.00 0.00 0.00 179.25 178.18 2hgu h TYR 7 N 0.00 -0.38 0.29 0.00 -0.00 -1.38 0.21 116.97 115.71 2hgu h TYR 7 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 2hgu h TYR 7 Cb 0.48 0.14 -0.02 0.00 -0.00 0.00 0.00 36.73 37.33 2hgu h TYR 7 CO 0.00 -0.23 -0.35 0.93 -0.00 0.00 0.00 178.16 178.51 2hgu h GLU 8 N -0.35 -0.63 0.00 1.82 5.08 -0.47 -0.82 114.58 119.21 2hgu h GLU 8 Ca -0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2hgu h GLU 8 Cb 0.31 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2hgu h GLU 8 CO -0.01 -0.42 0.00 -2.13 -1.00 0.00 0.00 179.01 175.44 2hgu n ARG 9 N -4.51 0.00 0.03 2.33 3.00 0.62 0.51 116.66 118.64 2hgu n ARG 9 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.63 2hgu n ARG 9 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.69 2hgu n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgu h ARG 10 N 0.00 -0.56 -0.02 -0.14 3.08 -0.70 1.03 114.38 117.08 2hgu h ARG 10 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2hgu h ARG 10 Cb 0.00 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2hgu h ARG 10 CO 0.00 -0.37 0.36 0.87 -1.07 0.00 0.00 179.97 179.76 2hgu h LYS 11 N -0.58 0.00 0.75 0.04 6.56 1.35 0.74 116.57 125.43 2hgu h LYS 11 Ca 0.05 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 2hgu h LYS 11 Cb 0.67 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.34 2hgu h LYS 11 CO -0.37 0.00 -0.36 0.27 -2.06 0.00 0.00 179.45 176.93 2hgu h PHE 12 N 0.00 -0.94 -0.31 -1.35 -5.15 0.48 0.22 116.94 109.89 2hgu h PHE 12 Ca 0.01 -0.02 0.03 0.00 -0.20 0.00 0.00 57.97 57.78 2hgu h PHE 12 Cb 0.73 0.31 -0.02 0.00 0.22 0.00 0.00 35.95 37.20 2hgu h PHE 12 CO 0.00 -0.58 0.21 -0.09 -2.00 0.00 0.00 178.31 175.84 2hgu h ARG 13 N -1.02 0.31 0.00 6.09 2.43 -0.43 -1.93 114.38 119.83 2hgu h ARG 13 Ca -0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2hgu h ARG 13 Cb 0.78 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2hgu h ARG 13 CO 0.17 0.20 0.00 0.28 -1.51 0.00 0.00 179.97 179.11 2hgu n VAL 14 N -4.49 0.00 0.19 0.20 0.31 0.05 -0.70 118.33 113.88 2hgu n VAL 14 Ca 0.02 1.17 0.04 0.00 -0.01 0.00 0.00 64.34 65.56 2hgu n VAL 14 Cb 0.15 -1.78 0.43 0.00 -0.91 0.00 0.00 33.84 31.73 2hgu n VAL 14 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2hgu h ARG 15 N 0.00 0.04 0.33 5.55 2.47 -0.58 0.09 114.38 122.27 2hgu h ARG 15 Ca 0.00 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2hgu h ARG 15 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2hgu h ARG 15 CO 0.00 0.28 -0.16 -2.95 0.56 0.00 0.00 179.97 177.71 2hgu h ASN 16 N 0.04 -0.37 -0.58 7.04 -1.07 -1.07 0.86 115.58 120.42 2hgu h ASN 16 Ca 0.00 -0.17 0.06 0.00 0.07 0.00 0.00 56.30 56.26 2hgu h ASN 16 Cb 0.46 0.10 -0.08 0.00 -2.07 0.00 0.00 38.32 36.72 2hgu h ASN 16 CO 0.03 0.05 -0.45 -0.09 0.07 0.00 0.00 177.43 177.05 2hgu h ARG 17 N -0.89 -0.13 -0.65 4.14 2.43 -0.87 0.42 114.38 118.83 2hgu h ARG 17 Ca -0.05 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2hgu h ARG 17 Cb 0.52 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 2hgu h ARG 17 CO 0.07 -0.09 -0.39 -0.89 -1.51 0.00 0.00 179.97 177.17 2hgu n ILE 18 N -4.76 -0.45 -0.34 1.20 -0.00 0.01 0.23 119.36 115.26 2hgu n ILE 18 Ca -0.00 1.80 0.07 0.00 -0.00 0.00 0.00 62.75 64.61 2hgu n ILE 18 Cb 0.23 -2.24 0.16 0.00 -0.00 0.00 0.00 39.64 37.79 2hgu n ILE 18 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2hgu n LYS 19 N -4.60 -0.08 -0.82 0.38 0.00 0.14 -4.41 118.16 108.77 2hgu n LYS 19 Ca 0.01 1.47 -0.29 0.00 0.00 0.00 0.00 58.31 59.51 2hgu n LYS 19 Cb 0.17 -2.22 -0.02 0.00 0.00 0.00 0.00 35.03 32.96 2hgu n LYS 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hgu n ARG 20 N -5.52 0.00 -3.11 1.64 5.12 0.64 -4.89 116.66 110.53 2hgu n ARG 20 Ca 0.16 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.91 2hgu n ARG 20 Cb 0.52 -0.62 -0.05 0.00 -1.16 0.00 0.00 32.46 31.14 2hgu n ARG 20 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2hgu n THR 21 N 0.14 -0.68 -2.48 0.55 -2.24 -1.26 -4.88 114.28 103.42 2hgu n THR 21 Ca 0.11 -2.43 -0.01 0.00 -2.27 0.00 0.00 64.05 59.44 2hgu n THR 21 Cb 0.13 -0.52 0.05 0.00 -2.10 0.00 0.00 70.33 67.89 2hgu n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgu n GLY 22 N 2.78 2.43 5.00 3.38 0.00 -1.26 -5.06 105.19 112.46 2hgu n GLY 22 Ca 0.24 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2hgu n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgu n ARG 23 N -0.27 0.00 -4.23 1.61 3.00 -1.26 -3.89 116.66 111.62 2hgu n ARG 23 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.70 2hgu n ARG 23 Cb 0.94 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.34 2hgu n ARG 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2hgu s LEU 24 N 0.00 2.80 0.11 6.15 1.02 -1.26 -2.25 118.68 125.25 2hgu s LEU 24 Ca 0.00 -1.27 -0.17 0.00 0.02 0.00 0.00 54.13 52.71 2hgu s LEU 24 Cb 0.00 -1.18 0.04 0.00 0.02 0.00 0.00 46.19 45.07 2hgu s LEU 24 CO 0.00 -0.77 0.42 0.00 0.02 0.00 0.00 176.35 176.02 2hgu s ARG 25 N -4.00 1.06 -0.21 1.70 1.70 -0.01 -0.59 118.95 118.60 2hgu s ARG 25 Ca 0.30 -0.63 -0.06 0.00 -0.47 0.00 0.00 55.73 54.88 2hgu s ARG 25 Cb 0.02 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2hgu s ARG 25 CO 0.17 -0.41 0.02 -1.17 -1.08 0.00 0.00 175.30 172.83 2hgu s LEU 26 N -2.67 3.32 -1.30 -1.89 1.98 0.06 -1.18 118.68 117.01 2hgu s LEU 26 Ca 0.01 -0.20 -0.08 0.00 -2.89 0.00 0.00 54.13 50.98 2hgu s LEU 26 Cb 0.01 -1.86 0.15 0.00 0.66 0.00 0.00 46.19 45.16 2hgu s LEU 26 CO -0.11 0.04 2.05 -0.24 -1.89 0.00 0.00 176.35 176.20 2hgu n SER 27 N 4.43 6.11 -4.44 3.68 2.88 -0.00 -0.85 113.62 125.42 2hgu n SER 27 Ca -0.17 -3.12 -0.48 0.00 -1.33 0.00 0.00 58.87 53.78 2hgu n SER 27 Cb 0.52 -1.44 -0.03 0.00 -0.75 0.00 0.00 64.21 62.51 2hgu n SER 27 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2hgu n VAL 28 N 2.78 1.93 -1.70 2.46 3.14 -1.26 -4.14 118.33 121.54 2hgu n VAL 28 Ca 0.47 -0.48 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 2hgu n VAL 28 Cb 0.32 -0.21 0.19 0.00 -1.06 0.00 0.00 33.84 33.08 2hgu n VAL 28 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 2hgu n PHE 29 N 0.10 0.12 -4.14 1.45 -0.00 -1.24 -4.52 117.46 109.23 2hgu n PHE 29 Ca 0.16 -1.45 0.00 0.00 -0.00 0.00 0.00 57.45 56.16 2hgu n PHE 29 Cb 0.26 -0.25 0.00 0.00 -0.00 0.00 0.00 39.48 39.49 2hgu n PHE 29 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2hgu n ARG 30 N -0.97 0.00 0.00 -4.13 5.12 -1.26 -3.72 116.66 111.70 2hgu n ARG 30 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2hgu n ARG 30 Cb 0.74 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.04 2hgu n ARG 30 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2hgu n SER 31 N -3.17 0.00 0.00 0.55 2.88 -1.26 -2.46 113.62 110.16 2hgu n SER 31 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2hgu n SER 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2hgu n SER 31 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hgu n LEU 32 N 0.00 0.00 0.14 2.46 4.32 -1.26 -0.06 117.00 122.61 2hgu n LEU 32 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.06 2hgu n LEU 32 Cb 0.00 0.00 0.35 0.00 -1.62 0.00 0.00 43.42 42.15 2hgu n LEU 32 CO 0.00 0.00 0.77 0.29 -1.22 0.00 0.00 177.39 177.23 2hgu n LYS 33 N 0.00 0.09 0.00 3.23 5.02 -1.26 -0.37 118.16 124.87 2hgu n LYS 33 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2hgu n LYS 33 Cb 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 2hgu n LYS 33 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2hgu n HIS 34 N -2.00 0.00 0.00 2.13 -0.00 -1.25 -4.87 115.22 109.23 2hgu n HIS 34 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2hgu n HIS 34 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 2hgu n HIS 34 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 2hgu n ILE 35 N -0.35 0.00 0.00 3.57 0.13 0.92 -4.98 119.36 118.64 2hgu n ILE 35 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2hgu n ILE 35 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 2hgu n ILE 35 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2hgu n TYR 36 N 0.00 0.00 -3.43 9.51 9.36 -1.26 -4.97 117.16 126.37 2hgu n TYR 36 Ca 0.00 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.81 2hgu n TYR 36 Cb 0.00 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.61 2hgu n TYR 36 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2hgu s ALA 37 N 0.00 3.50 0.13 2.98 0.00 -1.26 -3.73 121.76 123.38 2hgu s ALA 37 Ca 0.00 -1.25 0.10 0.00 0.00 0.00 0.00 51.96 50.81 2hgu s ALA 37 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 2hgu s ALA 37 CO 0.00 -1.05 -0.24 1.14 0.00 0.00 0.00 175.76 175.61 2hgu s GLN 38 N 1.95 1.30 0.02 0.00 -2.07 -1.26 -0.72 119.66 118.88 2hgu s GLN 38 Ca 0.10 -1.30 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 2hgu s GLN 38 Cb -0.17 -1.65 -0.04 0.00 -1.09 0.00 0.00 33.01 30.06 2hgu s GLN 38 CO 0.11 0.38 0.10 0.42 -1.32 0.00 0.00 175.29 174.98 2hgu s ILE 39 N -1.24 4.78 0.25 3.63 1.01 -0.51 -0.82 121.20 128.30 2hgu s ILE 39 Ca 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2hgu s ILE 39 Cb -0.09 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 2hgu s ILE 39 CO 0.06 0.29 0.31 -0.38 0.00 0.00 0.00 174.94 175.21 2hgu n ILE 40 N 0.96 0.00 0.00 2.92 -0.00 -0.32 -2.22 119.36 120.70 2hgu n ILE 40 Ca -0.11 -1.39 0.00 0.00 -0.00 0.00 0.00 62.75 61.25 2hgu n ILE 40 Cb 0.52 0.80 0.00 0.00 -0.00 0.00 0.00 39.64 40.97 2hgu n ILE 40 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2hgu n ASP 41 N -1.85 0.00 -4.83 4.38 3.85 -1.25 -0.83 116.55 116.02 2hgu n ASP 41 Ca 0.02 0.00 -0.38 0.00 -0.71 0.00 0.00 54.79 53.72 2hgu n ASP 41 Cb 0.42 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.13 2hgu n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hgu s ASP 42 N 1.00 6.91 0.00 -1.12 3.68 -0.95 -4.56 116.67 121.63 2hgu s ASP 42 Ca 0.00 1.08 -0.17 0.00 2.13 0.00 0.00 52.55 55.60 2hgu s ASP 42 Cb 0.00 -2.29 -0.20 0.00 -1.45 0.00 0.00 42.92 38.97 2hgu s ASP 42 CO 0.00 0.30 1.20 -0.62 0.13 0.00 0.00 175.17 176.19 2hgu n GLU 43 N 1.79 0.00 0.12 4.34 -0.58 -1.26 -4.13 120.64 120.92 2hgu n GLU 43 Ca -0.13 -0.68 0.13 0.00 -0.42 0.00 0.00 57.16 56.06 2hgu n GLU 43 Cb 0.52 -2.10 0.41 0.00 -0.57 0.00 0.00 31.44 29.70 2hgu n GLU 43 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2hgu h LYS 44 N 8.78 0.00 0.00 3.49 1.79 -2.01 -3.44 116.57 125.18 2hgu h LYS 44 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2hgu h LYS 44 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2hgu h LYS 44 CO 1.44 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.22 2hgu n GLY 45 N 1.04 1.12 3.81 3.86 0.00 -1.26 -5.09 105.19 108.67 2hgu n GLY 45 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2hgu n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgu s VAL 46 N -2.00 4.57 0.27 1.61 -7.23 -1.26 -5.15 120.40 111.21 2hgu s VAL 46 Ca 0.00 -1.05 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 2hgu s VAL 46 Cb 0.00 -3.34 -0.05 0.00 0.56 0.00 0.00 36.38 33.56 2hgu s VAL 46 CO 0.00 -0.11 0.11 -0.89 -0.31 0.00 0.00 175.10 173.90 2hgu s THR 47 N -1.76 0.53 0.00 5.32 2.01 -1.26 -3.88 115.64 116.60 2hgu s THR 47 Ca 0.31 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.31 2hgu s THR 47 Cb -0.10 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.80 2hgu s THR 47 CO 0.24 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.35 2hgu n LEU 48 N -0.50 0.00 -4.31 4.42 4.77 -0.94 -4.96 117.00 115.47 2hgu n LEU 48 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2hgu n LEU 48 Cb 0.66 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.59 2hgu n LEU 48 CO 0.37 0.00 -0.57 0.54 -1.33 0.00 0.00 177.39 176.40 2hgu s VAL 49 N 0.00 2.07 -0.57 4.08 0.11 -1.26 -5.00 120.40 119.84 2hgu s VAL 49 Ca 0.00 -1.10 -0.14 0.00 -2.93 0.00 0.00 61.98 57.82 2hgu s VAL 49 Cb 0.00 -1.72 0.14 0.00 -1.53 0.00 0.00 36.38 33.28 2hgu s VAL 49 CO 0.00 0.58 0.50 -0.94 -3.33 0.00 0.00 175.10 171.91 2hgu s SER 50 N -0.56 6.13 0.00 3.54 1.04 -1.26 -1.42 113.70 121.17 2hgu s SER 50 Ca 0.08 -2.00 0.00 0.00 0.48 0.00 0.00 55.95 54.52 2hgu s SER 50 Cb -0.10 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2hgu s SER 50 CO -0.00 -0.76 0.00 0.00 0.98 0.00 0.00 173.24 173.46 2hgu n ALA 51 N 4.90 0.00 -3.44 5.32 0.00 0.11 -4.70 120.51 122.71 2hgu n ALA 51 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 2hgu n ALA 51 Cb 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 2hgu n ALA 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hgu s SER 52 N 0.00 2.48 0.00 0.00 1.04 -1.26 -4.73 113.70 111.23 2hgu s SER 52 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2hgu s SER 52 Cb 0.00 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.99 2hgu s SER 52 CO 0.00 0.08 0.00 -1.54 0.98 0.00 0.00 173.24 172.76 2hgu n SER 53 N 3.82 0.00 -2.01 7.02 3.41 -1.26 -4.80 113.62 119.81 2hgu n SER 53 Ca -0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 2hgu n SER 53 Cb 0.52 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.75 2hgu n SER 53 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2hgu n LEU 54 N 0.00 6.15 -3.52 1.04 7.94 -1.26 -4.83 117.00 122.51 2hgu n LEU 54 Ca 0.00 -3.31 -0.41 0.00 -1.11 0.00 0.00 56.01 51.18 2hgu n LEU 54 Cb 0.00 -0.76 -0.08 0.00 0.53 0.00 0.00 43.42 43.11 2hgu n LEU 54 CO 0.00 0.87 1.82 0.00 -1.11 0.00 0.00 177.39 178.97 2hgu n ALA 55 N -0.38 2.28 -0.31 1.96 0.00 -1.26 -4.91 120.51 117.89 2hgu n ALA 55 Ca 0.44 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 51.04 2hgu n ALA 55 Cb 1.43 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2hgu n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgu n LEU 56 N 7.80 0.00 0.00 0.00 7.99 -1.26 -5.06 117.00 126.47 2hgu n LEU 56 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.46 2hgu n LEU 56 Cb 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 2hgu n LEU 56 CO 1.06 -0.11 0.00 1.17 -1.51 0.00 0.00 177.39 178.00 2hgu n LYS 57 N 0.00 0.00 0.00 3.23 0.00 -1.26 -5.05 118.16 115.08 2hgu n LYS 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2hgu n LYS 57 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgu n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2hgu n LEU 58 N 0.00 0.00 -0.76 3.14 -0.00 -1.26 -5.03 117.00 113.08 2hgu n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2hgu n LEU 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2hgu n LEU 58 CO 0.00 0.00 0.15 0.29 -0.00 0.00 0.00 177.39 177.83 2hgu n LYS 59 N 0.00 0.40 0.00 1.96 4.01 -1.26 -4.39 118.16 118.88 2hgu n LYS 59 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2hgu n LYS 59 Cb 0.00 -1.25 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 2hgu n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2hgu n GLY 60 N 0.56 0.56 2.87 0.72 0.00 -1.26 -4.62 105.19 104.02 2hgu n GLY 60 Ca 0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 2hgu n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hgu n ASN 61 N 0.00 2.63 -3.40 1.61 3.02 -1.26 -4.74 115.26 113.13 2hgu n ASN 61 Ca 0.00 -2.26 -0.28 0.00 -0.03 0.00 0.00 54.58 52.01 2hgu n ASN 61 Cb 0.00 -0.84 -0.07 0.00 -0.61 0.00 0.00 39.78 38.26 2hgu n ASN 61 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2hgu n LYS 62 N 5.06 2.84 0.00 3.52 4.76 -1.26 -4.61 118.16 128.47 2hgu n LYS 62 Ca 0.29 -4.70 0.01 0.00 -2.87 0.00 0.00 58.31 51.04 2hgu n LYS 62 Cb 0.13 -2.28 0.03 0.00 -1.84 0.00 0.00 35.03 31.07 2hgu n LYS 62 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2hgu n THR 63 N 0.70 0.37 0.02 -0.18 -1.04 -1.26 0.43 114.28 113.32 2hgu n THR 63 Ca 0.30 0.09 -0.12 0.00 -2.04 0.00 0.00 64.05 62.29 2hgu n THR 63 Cb 0.40 -1.08 -0.14 0.00 -1.82 0.00 0.00 70.33 67.70 2hgu n THR 63 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2hgu h GLU 64 N 0.00 0.09 -0.77 -2.82 4.57 -1.93 0.24 114.58 113.95 2hgu h GLU 64 Ca 0.00 -0.15 0.17 0.00 -1.18 0.00 0.00 59.36 58.19 2hgu h GLU 64 Cb 0.00 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 2hgu h GLU 64 CO 0.00 0.83 0.52 -0.39 -1.18 0.00 0.00 179.01 178.79 2hgu h VAL 65 N 0.02 0.75 0.00 0.32 -1.51 0.86 0.28 116.25 116.97 2hgu h VAL 65 Ca -0.23 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2hgu h VAL 65 Cb 1.96 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2hgu h VAL 65 CO 0.11 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 176.52 2hgu n ALA 66 N -2.55 0.00 -0.20 5.19 0.00 -0.46 -1.06 120.51 121.44 2hgu n ALA 66 Ca 0.15 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.78 2hgu n ALA 66 Cb 0.60 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.39 2hgu n ALA 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2hgu n ARG 67 N -0.20 -0.04 0.00 0.00 3.00 0.04 0.78 116.66 120.24 2hgu n ARG 67 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 57.85 58.70 2hgu n ARG 67 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 30.95 2hgu n ARG 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2hgu n GLN 68 N -4.43 0.00 -0.22 -0.14 6.02 0.07 -0.62 117.38 118.06 2hgu n GLN 68 Ca 0.22 0.21 0.20 0.00 -0.01 0.00 0.00 57.00 57.62 2hgu n GLN 68 Cb 0.75 -1.15 0.37 0.00 1.02 0.00 0.00 30.24 31.23 2hgu n GLN 68 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2hgu n VAL 69 N -1.02 -0.28 0.00 5.09 0.31 0.23 -0.91 118.33 121.75 2hgu n VAL 69 Ca 0.00 1.37 0.00 0.00 -0.01 0.00 0.00 64.34 65.70 2hgu n VAL 69 Cb 0.00 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 30.74 2hgu n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgu n GLY 70 N -1.19 -2.70 0.30 2.92 0.00 -0.14 -0.87 105.19 103.50 2hgu n GLY 70 Ca 0.24 0.03 0.28 0.00 0.00 0.00 0.00 46.02 46.57 2hgu n GLY 70 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgu n ARG 71 N -0.29 -0.04 0.00 1.61 -4.01 0.21 0.46 116.66 114.60 2hgu n ARG 71 Ca 0.00 1.04 0.00 0.00 -1.04 0.00 0.00 57.85 57.85 2hgu n ARG 71 Cb 0.00 -1.94 0.00 0.00 -3.04 0.00 0.00 32.46 27.48 2hgu n ARG 71 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2hgu n ALA 72 N -2.47 0.00 -0.42 2.89 0.00 -0.18 -0.95 120.51 119.38 2hgu n ALA 72 Ca 0.30 0.00 0.37 0.00 0.00 0.00 0.00 53.44 54.12 2hgu n ALA 72 Cb 1.10 0.05 0.64 0.00 0.00 0.00 0.00 19.45 21.24 2hgu n ALA 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgu n LEU 73 N -0.41 0.25 0.00 0.00 4.32 0.17 -0.76 117.00 120.57 2hgu n LEU 73 Ca 0.00 1.45 -0.01 0.00 -0.02 0.00 0.00 56.01 57.43 2hgu n LEU 73 Cb 0.00 -0.71 -0.01 0.00 -1.62 0.00 0.00 43.42 41.08 2hgu n LEU 73 CO 0.00 -1.60 0.50 0.00 -1.22 0.00 0.00 177.39 175.08 2hgu h ALA 74 N 1.70 -0.54 -0.89 -1.18 0.00 -0.25 0.24 119.26 118.33 2hgu h ALA 74 Ca 0.86 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.78 2hgu h ALA 74 Cb 2.62 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 20.87 2hgu h ALA 74 CO -0.55 -0.55 0.59 1.05 0.00 0.00 0.00 179.25 179.79 2hgu h GLU 75 N -0.04 1.15 -0.77 0.00 4.11 0.90 -1.08 114.58 118.85 2hgu h GLU 75 Ca 0.00 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.44 2hgu h GLU 75 Cb 0.05 -0.26 -0.11 0.00 0.50 0.00 0.00 28.75 28.93 2hgu h GLU 75 CO -0.02 0.76 -0.56 -0.22 0.07 0.00 0.00 179.01 179.04 2hgu h LYS 76 N 1.18 -0.14 0.37 1.06 3.64 -0.29 0.01 116.57 122.40 2hgu h LYS 76 Ca 0.33 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2hgu h LYS 76 Cb -0.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2hgu h LYS 76 CO -0.08 -0.10 -0.18 0.00 -2.27 0.00 0.00 179.45 176.83 2hgu h ALA 77 N 0.37 -0.49 -0.36 5.00 0.00 -0.73 0.64 119.26 123.69 2hgu h ALA 77 Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2hgu h ALA 77 Cb 0.49 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2hgu h ALA 77 CO -0.81 -0.69 -0.13 -0.11 0.00 0.00 0.00 179.25 177.52 2hgu n LEU 78 N -5.23 -0.21 0.00 0.00 -0.00 -0.17 0.55 117.00 111.95 2hgu n LEU 78 Ca -0.10 0.62 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 2hgu n LEU 78 Cb 0.26 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2hgu n LEU 78 CO 0.33 -0.56 0.13 0.00 -0.00 0.00 0.00 177.39 177.29 2hgu n ALA 79 N -3.83 0.00 0.00 1.96 0.00 -0.25 -2.88 120.51 115.51 2hgu n ALA 79 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2hgu n ALA 79 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2hgu n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgu n LEU 80 N -0.48 0.00 -0.13 0.00 7.99 0.19 0.43 117.00 125.00 2hgu n LEU 80 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.01 2hgu n LEU 80 Cb 0.00 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.34 2hgu n LEU 80 CO 0.00 0.00 0.47 0.61 -1.51 0.00 0.00 177.39 176.96 2hgu n GLY 81 N -0.84 1.87 7.00 -0.72 0.00 -0.26 -4.97 105.19 107.27 2hgu n GLY 81 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2hgu n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hgu n ILE 82 N -0.18 0.00 -3.90 -0.61 5.41 1.48 -4.69 119.36 116.88 2hgu n ILE 82 Ca 0.02 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.49 2hgu n ILE 82 Cb 0.23 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 38.99 2hgu n ILE 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2hgu s LYS 83 N 0.00 1.48 0.35 0.38 1.02 -1.26 -4.42 119.74 117.30 2hgu s LYS 83 Ca 0.00 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.52 2hgu s LYS 83 Cb 0.00 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 2hgu s LYS 83 CO 0.00 -0.41 0.08 -0.65 -0.92 0.00 0.00 175.35 173.45 2hgu s GLN 84 N 1.63 1.75 -0.36 1.68 1.11 -1.26 -5.17 119.66 119.04 2hgu s GLN 84 Ca 0.01 -2.01 0.04 0.00 0.01 0.00 0.00 55.36 53.42 2hgu s GLN 84 Cb -0.15 -0.78 0.17 0.00 -1.01 0.00 0.00 33.01 31.24 2hgu s GLN 84 CO -0.08 -0.29 0.47 0.14 0.01 0.00 0.00 175.29 175.54 2hgu s VAL 85 N -3.28 -0.63 0.00 1.09 -7.23 -1.26 -5.13 120.40 103.95 2hgu s VAL 85 Ca 0.31 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2hgu s VAL 85 Cb 0.06 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.45 2hgu s VAL 85 CO 0.15 -0.31 0.00 0.00 -0.31 0.00 0.00 175.10 174.62 2hgu n ALA 86 N 4.60 0.00 -3.00 1.32 0.00 -1.25 -4.66 120.51 117.52 2hgu n ALA 86 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2hgu n ALA 86 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2hgu n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hgu n PHE 87 N 0.00 0.00 -3.83 0.00 7.35 0.24 -4.93 117.46 116.29 2hgu n PHE 87 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 2hgu n PHE 87 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 2hgu n PHE 87 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 2hgu s ASP 88 N 1.00 0.06 0.00 -2.13 -4.77 -1.26 -0.76 116.67 108.81 2hgu s ASP 88 Ca 0.00 -1.15 0.00 0.00 -3.30 0.00 0.00 52.55 48.10 2hgu s ASP 88 Cb 0.00 0.84 0.00 0.00 -1.09 0.00 0.00 42.92 42.67 2hgu s ASP 88 CO 0.00 -1.66 0.00 -1.14 0.70 0.00 0.00 175.17 173.07 2hgu n ARG 89 N -0.53 0.00 0.00 2.11 3.00 -0.03 -4.83 116.66 116.38 2hgu n ARG 89 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2hgu n ARG 89 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 2hgu n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgu n GLY 90 N 5.00 2.28 0.00 5.14 0.00 -1.26 -4.90 105.19 111.45 2hgu n GLY 90 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.54 2hgu n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgu n PRO 91 N 0.00 0.40 -3.85 1.61 -0.04 -1.26 -4.76 135.00 127.10 2hgu n PRO 91 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2hgu n PRO 91 Cb 0.00 -1.15 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2hgu n PRO 91 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2hgu s TYR 92 N -2.00 0.00 1.03 0.54 5.04 -1.26 -5.10 117.35 115.60 2hgu s TYR 92 Ca 0.06 -0.03 -0.11 0.00 -2.44 0.00 0.00 57.07 54.54 2hgu s TYR 92 Cb 0.03 0.52 0.21 0.00 0.35 0.00 0.00 41.96 43.06 2hgu s TYR 92 CO 0.04 -0.07 1.09 -1.59 -1.34 0.00 0.00 175.55 173.68 2hgu s LYS 93 N -2.04 0.15 -1.21 4.97 -2.85 -1.26 -4.79 119.74 112.71 2hgu s LYS 93 Ca 0.25 1.24 -0.11 0.00 -1.00 0.00 0.00 55.97 56.36 2hgu s LYS 93 Cb 0.03 -1.65 0.20 0.00 -2.06 0.00 0.00 37.83 34.35 2hgu s LYS 93 CO -0.04 -3.12 1.52 0.66 0.10 0.00 0.00 175.35 174.47 2hgu n TYR 94 N -4.55 4.22 0.02 1.78 4.02 -1.26 -3.84 117.16 117.55 2hgu n TYR 94 Ca 0.08 -3.21 0.00 0.00 -0.01 0.00 0.00 57.90 54.76 2hgu n TYR 94 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 39.34 37.88 2hgu n TYR 94 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2hgu n HIS 95 N 4.35 -0.10 -1.42 -0.72 1.44 -1.26 -4.50 115.22 113.01 2hgu n HIS 95 Ca 0.35 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 56.08 2hgu n HIS 95 Cb 0.40 0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.59 2hgu n HIS 95 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hgu n GLY 96 N 2.84 5.16 0.00 -1.39 0.00 -1.26 -4.60 105.19 105.94 2hgu n GLY 96 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2hgu n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgu n ARG 97 N 0.00 0.00 0.24 1.61 5.12 -1.26 0.26 116.66 122.63 2hgu n ARG 97 Ca 0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 2hgu n ARG 97 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 2hgu n ARG 97 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2hgu h VAL 98 N 0.00 0.56 -0.18 1.55 3.04 -1.89 -0.55 116.25 118.78 2hgu h VAL 98 Ca 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 2hgu h VAL 98 Cb 0.00 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 2hgu h VAL 98 CO 0.00 0.00 0.22 0.50 -1.01 0.00 0.00 177.57 177.28 2hgu h LYS 99 N -0.58 0.00 0.00 4.17 3.64 0.35 -0.04 116.57 124.11 2hgu h LYS 99 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2hgu h LYS 99 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2hgu h LYS 99 CO 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 2hgu n ALA 100 N -2.29 -0.37 -0.35 5.00 0.00 0.26 -0.60 120.51 122.15 2hgu n ALA 100 Ca 0.02 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.82 2hgu n ALA 100 Cb 0.34 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.53 2hgu n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hgu h LEU 101 N 0.00 0.03 -0.04 0.00 7.12 -0.63 0.79 115.31 122.58 2hgu h LEU 101 Ca 0.00 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.03 2hgu h LEU 101 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 2hgu h LEU 101 CO 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 178.44 178.08 2hgu h ALA 102 N 1.39 -0.65 -1.37 1.25 0.00 -0.35 2.43 119.26 121.96 2hgu h ALA 102 Ca 0.59 -0.03 0.41 0.00 0.00 0.00 0.00 54.91 55.88 2hgu h ALA 102 Cb 2.33 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 20.79 2hgu h ALA 102 CO -0.03 -0.73 0.95 0.93 0.00 0.00 0.00 179.25 180.37 2hgu h GLU 103 N -0.26 0.09 -0.16 0.00 5.08 0.30 0.72 114.58 120.34 2hgu h GLU 103 Ca 0.01 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2hgu h GLU 103 Cb 0.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2hgu h GLU 103 CO -0.18 0.06 -0.24 0.78 -1.00 0.00 0.00 179.01 178.43 2hgu h GLY 104 N 0.09 -1.53 0.84 -3.84 0.00 0.57 0.23 103.07 99.44 2hgu h GLY 104 Ca 0.72 0.77 0.03 0.00 0.00 0.00 0.00 47.33 48.86 2hgu h GLY 104 CO -0.17 -0.47 0.45 0.00 0.00 0.00 0.00 176.54 176.35 2hgu h ALA 105 N -0.78 0.95 -0.53 3.60 0.00 0.22 -0.21 119.26 122.51 2hgu h ALA 105 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2hgu h ALA 105 Cb 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 2hgu h ALA 105 CO -0.25 0.22 -0.28 -2.13 0.00 0.00 0.00 179.25 176.80 2hgu n ARG 106 N -4.67 -0.20 0.29 0.00 0.00 0.36 0.34 116.66 112.78 2hgu n ARG 106 Ca 0.08 0.80 -0.15 0.00 -0.00 0.00 0.00 57.85 58.58 2hgu n ARG 106 Cb 0.10 -1.18 -0.08 0.00 0.00 0.00 0.00 32.46 31.30 2hgu n ARG 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2hgu h GLU 107 N 0.00 -0.71 -0.25 -0.14 3.07 -0.28 -0.19 114.58 116.08 2hgu h GLU 107 Ca 0.11 0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.08 2hgu h GLU 107 Cb 0.24 0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 2hgu h GLU 107 CO -0.50 -0.40 -0.02 0.41 -1.40 0.00 0.00 179.01 177.09 2hgu n GLY 108 N -0.70 -0.37 0.11 -3.84 0.00 1.06 0.84 105.19 102.30 2hgu n GLY 108 Ca -0.11 0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2hgu n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 109 N -1.14 -0.74 0.44 -0.02 0.00 0.13 -4.46 105.19 99.40 2hgu n GLY 109 Ca 0.05 0.03 0.28 0.00 0.00 0.00 0.00 46.02 46.38 2hgu n GLY 109 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hgu h LEU 110 N -0.85 0.32 -2.00 0.99 5.85 0.24 -3.46 115.31 116.39 2hgu h LEU 110 Ca -0.42 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 2hgu h LEU 110 Cb 1.45 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2hgu h LEU 110 CO -0.21 0.01 -0.20 -0.62 -0.34 0.00 0.00 178.44 177.07 2hgu n GLU 111 N -4.57 -0.29 0.00 1.25 -0.58 -0.16 -5.04 120.64 111.25 2hgu n GLU 111 Ca 0.28 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 2hgu n GLU 111 Cb 1.08 -0.39 0.00 0.00 -0.57 0.00 0.00 31.44 31.56 2hgu n GLU 111 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62