#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n ARG 3 N 0.00 2.04 0.00 -0.52 1.74 -1.26 -5.02 116.66 113.64 2hgu n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgu n ARG 3 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2hgu n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hgu n ALA 4 N -3.00 0.00 -0.20 7.54 0.00 -1.26 -5.05 120.51 118.53 2hgu n ALA 4 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2hgu n ALA 4 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2hgu n ALA 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2hgu n LYS 5 N 0.00 0.00 0.00 0.00 4.81 -1.26 -4.69 118.16 117.02 2hgu n LYS 5 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.00 2hgu n LYS 5 Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.23 2hgu n LYS 5 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2hgu n THR 6 N 4.68 0.00 0.00 3.15 -2.24 -1.26 -4.41 114.28 114.19 2hgu n THR 6 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2hgu n THR 6 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2hgu n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgu n GLY 7 N 0.00 0.00 0.37 3.38 0.00 -1.26 0.11 105.19 107.79 2hgu n GLY 7 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2hgu n GLY 7 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2hgu h VAL 8 N 0.00 0.31 -0.70 1.61 -1.51 -2.00 -1.63 116.25 112.33 2hgu h VAL 8 Ca 0.00 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.56 2hgu h VAL 8 Cb 0.00 0.31 -0.10 0.00 -2.13 0.00 0.00 31.29 29.37 2hgu h VAL 8 CO 0.00 0.00 -0.34 0.52 -1.23 0.00 0.00 177.57 176.52 2hgu n VAL 9 N -5.47 -0.42 0.08 7.19 0.31 0.31 -0.97 118.33 119.37 2hgu n VAL 9 Ca -0.11 1.67 -0.23 0.00 -0.01 0.00 0.00 64.34 65.65 2hgu n VAL 9 Cb 0.36 -2.14 -0.15 0.00 -0.91 0.00 0.00 33.84 31.00 2hgu n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2hgu h ARG 10 N 0.00 0.42 -1.01 5.55 2.43 -1.11 -0.87 114.38 119.78 2hgu h ARG 10 Ca 0.18 -0.71 0.23 0.00 -0.81 0.00 0.00 59.98 58.88 2hgu h ARG 10 Cb 0.36 0.26 -0.10 0.00 -0.42 0.00 0.00 29.97 30.07 2hgu h ARG 10 CO -0.68 1.34 0.63 0.07 -1.51 0.00 0.00 179.97 179.82 2hgu h ARG 11 N 0.10 0.54 0.00 0.20 0.11 -0.62 -0.96 114.38 113.75 2hgu h ARG 11 Ca -0.33 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.72 2hgu h ARG 11 Cb 2.10 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 33.06 2hgu h ARG 11 CO 0.19 0.35 0.00 0.54 0.10 0.00 0.00 179.97 181.15 2hgu n ARG 12 N -4.73 0.00 -0.27 0.08 1.74 -0.14 -0.94 116.66 112.39 2hgu n ARG 12 Ca 0.25 0.33 0.16 0.00 -0.77 0.00 0.00 57.85 57.82 2hgu n ARG 12 Cb 0.74 -1.20 0.31 0.00 -1.02 0.00 0.00 32.46 31.29 2hgu n ARG 12 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgu n LYS 13 N -1.50 -0.06 0.25 5.56 4.01 -0.34 0.04 118.16 126.13 2hgu n LYS 13 Ca 0.00 1.17 -0.10 0.00 -0.51 0.00 0.00 58.31 58.87 2hgu n LYS 13 Cb 0.00 -1.94 -0.05 0.00 -0.51 0.00 0.00 35.03 32.53 2hgu n LYS 13 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2hgu h HIS 14 N 0.00 -0.63 -1.00 2.13 3.86 -1.22 -1.38 115.15 116.91 2hgu h HIS 14 Ca 0.55 -0.01 0.35 0.00 -1.16 0.00 0.00 60.37 60.10 2hgu h HIS 14 Cb 1.25 0.21 -0.16 0.00 1.06 0.00 0.00 27.41 29.77 2hgu h HIS 14 CO -0.29 -0.39 0.56 -0.22 0.86 0.00 0.00 177.93 178.45 2hgu h LYS 15 N -0.94 0.21 0.63 2.45 3.64 0.15 1.79 116.57 124.50 2hgu h LYS 15 Ca -0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2hgu h LYS 15 Cb 0.52 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2hgu h LYS 15 CO 0.11 0.14 -0.47 -0.22 -2.27 0.00 0.00 179.45 176.74 2hgu h LYS 16 N 0.22 -1.02 -0.78 1.90 3.64 -0.77 -0.43 116.57 119.32 2hgu h LYS 16 Ca 0.77 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 60.40 2hgu h LYS 16 Cb 1.86 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 33.87 2hgu h LYS 16 CO -0.66 -0.68 0.53 0.82 -2.27 0.00 0.00 179.45 177.19 2hgu h ILE 17 N -1.06 0.73 0.09 2.00 1.08 0.38 -0.26 117.51 120.47 2hgu h ILE 17 Ca -0.08 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2hgu h ILE 17 Cb 0.88 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 2hgu h ILE 17 CO 0.02 0.06 -0.04 0.17 -0.69 0.00 0.00 178.15 177.67 2hgu h LEU 18 N 0.33 -0.10 -0.67 1.44 -0.00 -0.18 -0.57 115.31 115.56 2hgu h LEU 18 Ca 0.39 -0.17 0.13 0.00 -0.00 0.00 0.00 57.88 58.23 2hgu h LEU 18 Cb 1.04 0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 41.62 2hgu h LEU 18 CO -0.11 0.11 0.14 0.50 -0.00 0.00 0.00 178.44 179.08 2hgu h LYS 19 N -0.32 0.25 -0.39 0.17 3.64 0.34 -1.65 116.57 118.62 2hgu h LYS 19 Ca -0.01 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2hgu h LYS 19 Cb 0.27 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2hgu h LYS 19 CO 0.02 0.17 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.03 2hgu h LEU 20 N 0.26 -0.95 -8.53 5.20 3.38 -0.18 -3.20 115.31 111.28 2hgu h LEU 20 Ca 0.36 0.14 -0.49 0.00 0.09 0.00 0.00 57.88 57.99 2hgu h LEU 20 Cb 0.58 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2hgu h LEU 20 CO -0.46 -0.13 1.45 0.00 0.09 0.00 0.00 178.44 179.40 2hgu s ALA 21 N -4.66 1.98 0.31 1.53 0.00 -0.31 -4.79 121.76 115.81 2hgu s ALA 21 Ca -0.06 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2hgu s ALA 21 Cb 0.05 -4.32 0.75 0.00 0.00 0.00 0.00 23.12 19.60 2hgu s ALA 21 CO 0.28 -4.10 1.58 0.87 0.00 0.00 0.00 175.76 174.39 2hgu h LYS 22 N 16.61 0.02 0.00 0.00 1.57 -1.74 -3.43 116.57 129.60 2hgu h LYS 22 Ca -0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2hgu h LYS 22 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2hgu h LYS 22 CO 1.20 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.50 2hgu n GLY 23 N -1.49 0.13 0.00 3.86 0.00 -1.26 -5.01 105.19 101.42 2hgu n GLY 23 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2hgu n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgu n TYR 24 N 0.00 0.00 -1.61 1.61 4.02 -1.26 -4.62 117.16 115.30 2hgu n TYR 24 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.44 2hgu n TYR 24 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 2hgu n TYR 24 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 2hgu n TRP 25 N 0.00 2.11 -0.27 -0.72 -0.00 -1.26 -4.59 117.44 112.71 2hgu n TRP 25 Ca 0.00 -0.12 -0.09 0.00 -0.00 0.00 0.00 57.50 57.29 2hgu n TRP 25 Cb 0.00 -2.71 -0.01 0.00 -0.00 0.00 0.00 31.31 28.59 2hgu n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2hgu n GLY 26 N 5.36 -0.34 2.11 5.87 0.00 -1.26 -1.19 105.19 115.73 2hgu n GLY 26 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2hgu n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgu n LEU 27 N 0.38 0.00 -0.05 0.99 4.77 -1.26 -4.39 117.00 117.44 2hgu n LEU 27 Ca 0.03 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.16 2hgu n LEU 27 Cb 0.05 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 41.86 2hgu n LEU 27 CO 0.11 0.00 0.97 -2.11 -1.33 0.00 0.00 177.39 175.03 2hgu n ARG 28 N 0.00 0.60 0.00 3.23 1.85 -0.34 -0.82 116.66 121.19 2hgu n ARG 28 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 2hgu n ARG 28 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2hgu n ARG 28 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2hgu n SER 29 N -1.11 0.00 0.23 2.89 3.41 -1.15 -3.68 113.62 114.21 2hgu n SER 29 Ca 0.15 0.35 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 2hgu n SER 29 Cb 0.24 -0.05 0.57 0.00 -0.26 0.00 0.00 64.21 64.72 2hgu n SER 29 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2hgu h LYS 30 N 0.00 0.00 0.00 4.33 6.56 -1.88 -3.40 116.57 122.18 2hgu h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2hgu h LYS 30 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2hgu h LYS 30 CO 0.00 0.21 0.00 -1.13 -2.06 0.00 0.00 179.45 176.47 2hgu n SER 31 N -3.72 0.00 0.00 0.86 3.41 0.00 -4.79 113.62 109.38 2hgu n SER 31 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2hgu n SER 31 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2hgu n SER 31 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2hgu n PHE 32 N 0.00 0.00 0.00 7.33 3.01 -1.26 -0.81 117.46 125.73 2hgu n PHE 32 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2hgu n PHE 32 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2hgu n PHE 32 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2hgu n ARG 33 N 0.00 0.00 -0.49 -1.08 0.63 -1.26 0.40 116.66 114.86 2hgu n ARG 33 Ca 0.00 0.15 0.40 0.00 -0.92 0.00 0.00 57.85 57.48 2hgu n ARG 33 Cb 0.00 -0.97 0.69 0.00 0.45 0.00 0.00 32.46 32.63 2hgu n ARG 33 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2hgu h LYS 34 N 0.00 0.03 0.23 -0.14 1.79 -1.34 1.10 116.57 118.23 2hgu h LYS 34 Ca 0.00 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2hgu h LYS 34 Cb 0.00 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2hgu h LYS 34 CO 0.00 0.02 -0.18 0.00 -1.08 0.00 0.00 179.45 178.21 2hgu h ALA 35 N 1.55 -0.95 -0.70 3.86 0.00 -0.72 0.49 119.26 122.78 2hgu h ALA 35 Ca 0.87 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.76 2hgu h ALA 35 Cb 2.84 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 20.92 2hgu h ALA 35 CO -0.41 -0.95 -0.42 0.54 0.00 0.00 0.00 179.25 178.01 2hgu n ARG 36 N -3.40 -0.31 -0.16 0.00 1.74 0.37 -0.66 116.66 114.24 2hgu n ARG 36 Ca -0.05 1.31 -0.12 0.00 -0.77 0.00 0.00 57.85 58.21 2hgu n ARG 36 Cb 0.17 -1.93 -0.09 0.00 -1.02 0.00 0.00 32.46 29.60 2hgu n ARG 36 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2hgu h GLU 37 N 0.00 -0.31 -0.97 5.56 4.81 -0.91 1.23 114.58 123.99 2hgu h GLU 37 Ca 0.11 0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.68 2hgu h GLU 37 Cb 0.29 0.07 -0.16 0.00 0.63 0.00 0.00 28.75 29.57 2hgu h GLU 37 CO -0.66 -0.21 0.34 1.79 -0.73 0.00 0.00 179.01 179.54 2hgu h THR 38 N -0.32 0.14 0.26 0.32 1.35 0.14 0.74 112.91 115.55 2hgu h THR 38 Ca 0.08 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.88 2hgu h THR 38 Cb 0.52 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.95 2hgu h THR 38 CO -0.58 0.02 -0.19 -0.07 -0.25 0.00 0.00 175.52 174.45 2hgu h LEU 39 N 0.12 -0.49 -0.82 3.87 3.38 0.35 -0.24 115.31 121.48 2hgu h LEU 39 Ca 0.69 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.89 2hgu h LEU 39 Cb 1.59 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 42.33 2hgu h LEU 39 CO -0.75 -0.27 -0.09 0.49 0.09 0.00 0.00 178.44 177.91 2hgu n PHE 40 N -3.44 0.41 0.16 1.13 3.01 0.25 0.11 117.46 119.09 2hgu n PHE 40 Ca -0.05 1.00 -0.10 0.00 1.01 0.00 0.00 57.45 59.31 2hgu n PHE 40 Cb 0.18 -1.05 -0.05 0.00 -0.01 0.00 0.00 39.48 38.55 2hgu n PHE 40 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgu h ALA 41 N 1.64 -0.97 -0.91 4.37 0.00 -0.93 -1.67 119.26 120.79 2hgu h ALA 41 Ca 0.45 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.47 2hgu h ALA 41 Cb 0.82 0.50 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 2hgu h ALA 41 CO -0.81 -0.98 -0.08 0.00 0.00 0.00 0.00 179.25 177.38 2hgu h ALA 42 N -1.32 0.85 0.83 0.00 0.00 0.27 -0.53 119.26 119.36 2hgu h ALA 42 Ca -0.03 0.33 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2hgu h ALA 42 Cb 0.46 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2hgu h ALA 42 CO -0.03 -0.46 -0.40 0.78 0.00 0.00 0.00 179.25 179.14 2hgu h GLY 43 N 0.03 -1.16 1.22 0.00 0.00 -0.65 0.51 103.07 103.02 2hgu h GLY 43 Ca 0.49 0.43 0.11 0.00 0.00 0.00 0.00 47.33 48.36 2hgu h GLY 43 CO -0.88 -0.42 0.29 -0.57 0.00 0.00 0.00 176.54 174.96 2hgu h ASN 44 N -1.26 0.06 0.07 0.19 -0.73 -0.99 0.33 115.58 113.25 2hgu h ASN 44 Ca -0.11 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2hgu h ASN 44 Cb 0.85 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 2hgu h ASN 44 CO 0.19 0.04 -0.16 1.88 -0.37 0.00 0.00 177.43 179.01 2hgu h TYR 45 N 0.07 -0.44 -0.87 0.67 0.05 -0.74 -0.97 116.97 114.73 2hgu h TYR 45 Ca 0.19 0.01 0.30 0.00 0.05 0.00 0.00 58.73 59.28 2hgu h TYR 45 Cb 0.68 0.18 -0.16 0.00 1.01 0.00 0.00 36.73 38.45 2hgu h TYR 45 CO -0.00 -0.19 0.23 0.00 -1.05 0.00 0.00 178.16 177.15 2hgu n ALA 46 N -2.54 0.65 -0.06 3.88 0.00 0.10 0.57 120.51 123.11 2hgu n ALA 46 Ca -0.03 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.32 2hgu n ALA 46 Cb 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2hgu n ALA 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgu n TYR 47 N -5.13 0.00 -0.27 0.00 0.53 -0.48 -0.38 117.16 111.43 2hgu n TYR 47 Ca 0.26 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 57.26 2hgu n TYR 47 Cb 0.88 -0.47 0.23 0.00 -1.03 0.00 0.00 39.34 38.95 2hgu n TYR 47 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2hgu n ALA 48 N -2.40 0.39 -0.04 -0.72 0.00 0.19 -1.46 120.51 116.48 2hgu n ALA 48 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 53.44 54.29 2hgu n ALA 48 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2hgu n ALA 48 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hgu n HIS 49 N -5.12 0.00 0.27 0.00 8.25 0.49 -1.00 115.22 118.11 2hgu n HIS 49 Ca 0.18 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.74 2hgu n HIS 49 Cb 0.60 -0.48 0.72 0.00 1.12 0.00 0.00 29.99 31.94 2hgu n HIS 49 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hgu h ARG 50 N 0.00 0.00 0.03 -0.41 -0.00 -0.32 0.67 114.38 114.35 2hgu h ARG 50 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.50 2hgu h ARG 50 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 2hgu h ARG 50 CO 0.00 0.01 -0.20 0.87 0.00 0.00 0.00 179.97 180.65 2hgu h LYS 51 N 0.00 -0.33 0.41 0.04 1.57 -0.61 -3.18 116.57 114.48 2hgu h LYS 51 Ca -0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2hgu h LYS 51 Cb 0.03 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2hgu h LYS 51 CO 0.00 -0.22 -0.43 0.00 -0.57 0.00 0.00 179.45 178.23 2hgu h ARG 52 N -0.34 -0.82 0.00 3.15 3.08 0.85 -3.35 114.38 116.95 2hgu h ARG 52 Ca 0.05 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2hgu h ARG 52 Cb 0.40 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2hgu h ARG 52 CO -0.17 -0.54 0.00 -2.13 -1.07 0.00 0.00 179.97 176.06 2hgu n ARG 53 N -5.02 0.00 0.00 0.04 3.00 -0.51 -1.90 116.66 112.27 2hgu n ARG 53 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2hgu n ARG 53 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.85 2hgu n ARG 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2hgu n LYS 54 N -0.95 0.00 -0.32 -0.14 4.01 -1.26 0.39 118.16 119.89 2hgu n LYS 54 Ca 0.00 0.18 0.22 0.00 -0.51 0.00 0.00 58.31 58.20 2hgu n LYS 54 Cb 0.00 -0.49 0.43 0.00 -0.51 0.00 0.00 35.03 34.46 2hgu n LYS 54 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgu h ARG 55 N 0.00 0.25 -0.99 1.97 -0.00 -1.67 1.11 114.38 115.05 2hgu h ARG 55 Ca 0.00 -0.01 0.14 0.00 -0.50 0.00 0.00 59.98 59.60 2hgu h ARG 55 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 29.97 29.76 2hgu h ARG 55 CO 0.00 0.16 -0.43 -0.44 0.00 0.00 0.00 179.97 179.26 2hgu h ASP 56 N 0.25 -1.59 -0.04 7.04 3.32 -0.01 -0.29 116.42 125.11 2hgu h ASP 56 Ca 0.70 0.31 -0.05 0.00 0.02 0.00 0.00 57.03 58.01 2hgu h ASP 56 Cb 1.58 0.80 0.00 0.00 0.22 0.00 0.00 39.33 41.93 2hgu h ASP 56 CO -0.65 -0.28 -0.19 -0.26 -1.72 0.00 0.00 179.24 176.15 2hgu h PHE 57 N -0.01 0.26 -1.32 4.55 -1.00 0.29 -0.81 116.94 118.90 2hgu h PHE 57 Ca 0.30 -0.12 0.46 0.00 2.81 0.00 0.00 57.97 61.42 2hgu h PHE 57 Cb 0.56 -0.04 -0.14 0.00 3.61 0.00 0.00 35.95 39.94 2hgu h PHE 57 CO -0.90 0.83 0.84 -0.09 -1.61 0.00 0.00 178.31 177.37 2hgu h ARG 58 N -0.38 0.04 0.00 1.51 2.43 0.08 1.23 114.38 119.28 2hgu h ARG 58 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2hgu h ARG 58 Cb 0.85 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2hgu h ARG 58 CO 0.04 0.02 0.00 0.54 -1.51 0.00 0.00 179.97 179.06 2hgu n ARG 59 N -4.78 0.00 -0.06 0.20 5.12 -0.24 -0.79 116.66 116.12 2hgu n ARG 59 Ca 0.39 0.42 -0.01 0.00 -1.93 0.00 0.00 57.85 56.72 2hgu n ARG 59 Cb 1.49 -1.23 -0.01 0.00 -1.16 0.00 0.00 32.46 31.55 2hgu n ARG 59 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2hgu n LEU 60 N -1.76 -0.15 0.20 0.55 4.32 0.40 0.49 117.00 121.05 2hgu n LEU 60 Ca 0.00 0.25 -0.08 0.00 -0.02 0.00 0.00 56.01 56.16 2hgu n LEU 60 Cb 0.00 -0.03 -0.04 0.00 -1.62 0.00 0.00 43.42 41.73 2hgu n LEU 60 CO 0.00 -0.21 0.41 -0.50 -1.22 0.00 0.00 177.39 175.87 2hgu h TRP 61 N 0.00 -0.47 -0.25 -1.77 4.06 -1.05 -1.41 115.95 115.06 2hgu h TRP 61 Ca 0.02 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.01 2hgu h TRP 61 Cb 0.06 0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.33 2hgu h TRP 61 CO -0.14 -0.29 -0.07 -0.89 -3.56 0.00 0.00 178.44 173.48 2hgu n ILE 62 N -3.65 -0.11 0.00 1.49 5.41 0.18 0.99 119.36 123.67 2hgu n ILE 62 Ca -0.06 0.57 0.00 0.00 1.00 0.00 0.00 62.75 64.26 2hgu n ILE 62 Cb 0.20 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 2hgu n ILE 62 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2hgu n VAL 63 N -4.40 0.00 -0.26 1.39 0.31 -0.21 -0.86 118.33 114.30 2hgu n VAL 63 Ca 0.04 1.17 0.16 0.00 -0.01 0.00 0.00 64.34 65.70 2hgu n VAL 63 Cb 0.12 -2.12 0.31 0.00 -0.91 0.00 0.00 33.84 31.24 2hgu n VAL 63 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2hgu n ARG 64 N -1.30 -0.06 0.22 5.55 1.74 0.28 0.44 116.66 123.53 2hgu n ARG 64 Ca 0.00 1.11 -0.09 0.00 -0.77 0.00 0.00 57.85 58.11 2hgu n ARG 64 Cb 0.00 -1.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.55 2hgu n ARG 64 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 2hgu h ILE 65 N 0.00 0.00 -0.44 0.55 -2.65 -1.09 -1.24 117.51 112.63 2hgu h ILE 65 Ca 0.53 -0.03 0.05 0.00 1.03 0.00 0.00 64.86 66.44 2hgu h ILE 65 Cb 1.24 0.00 -0.06 0.00 -2.05 0.00 0.00 36.82 35.95 2hgu h ILE 65 CO -0.67 0.00 -0.22 0.59 0.03 0.00 0.00 178.15 177.88 2hgu n ASN 66 N -3.59 -0.37 0.00 2.16 3.02 0.17 0.14 115.26 116.78 2hgu n ASN 66 Ca -0.07 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 2hgu n ASN 66 Cb 0.22 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2hgu n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgu n ALA 67 N -3.72 -0.06 0.40 5.41 0.00 -0.36 -1.13 120.51 121.06 2hgu n ALA 67 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 2hgu n ALA 67 Cb 0.15 0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 2hgu n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu h ALA 68 N -1.14 -1.26 -0.77 0.00 0.00 0.24 -0.99 119.26 115.33 2hgu h ALA 68 Ca 0.00 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 54.85 2hgu h ALA 68 Cb 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 2hgu h ALA 68 CO 0.00 -1.20 0.19 0.00 0.00 0.00 0.00 179.25 178.24 2hgu h ARG 70 N 0.26 0.42 -0.69 0.00 3.08 -1.14 -0.07 114.38 116.25 2hgu h ARG 70 Ca 0.45 -0.26 0.14 0.00 0.07 0.00 0.00 59.98 60.37 2hgu h ARG 70 Cb 0.80 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.75 2hgu h ARG 70 CO -0.54 0.86 -0.18 1.96 -1.07 0.00 0.00 179.97 180.99 2hgu h GLN 71 N 0.03 -0.01 0.77 0.04 4.20 0.15 -1.99 115.11 118.31 2hgu h GLN 71 Ca 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2hgu h GLN 71 Cb 0.84 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.63 2hgu h GLN 71 CO 0.06 -0.01 -0.37 0.45 -0.67 0.00 0.00 178.83 178.29 2hgu h HIS 72 N -0.01 -0.96 0.00 2.96 3.86 -0.92 -3.47 115.15 116.61 2hgu h HIS 72 Ca 0.33 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2hgu h HIS 72 Cb 0.51 0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2hgu h HIS 72 CO -0.57 -0.58 0.00 0.41 0.86 0.00 0.00 177.93 178.05 2hgu n GLY 73 N -1.24 0.03 3.54 2.45 0.00 -0.22 -5.11 105.19 104.64 2hgu n GLY 73 Ca -0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2hgu n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgu s LEU 74 N -0.98 -0.58 0.00 0.99 1.43 -0.21 -4.89 118.68 114.44 2hgu s LEU 74 Ca 0.00 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2hgu s LEU 74 Cb 0.00 2.34 0.00 0.00 0.03 0.00 0.00 46.19 48.56 2hgu s LEU 74 CO 0.00 -0.52 0.00 -3.20 0.23 0.00 0.00 176.35 172.86 2hgu n ASN 75 N 0.93 0.00 0.04 2.29 2.85 -1.26 -3.40 115.26 116.71 2hgu n ASN 75 Ca -0.16 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.11 2hgu n ASN 75 Cb 0.57 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.45 2hgu n ASN 75 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 2hgu h TYR 76 N -0.17 0.50 -0.10 1.20 -1.99 -1.97 0.13 116.97 114.57 2hgu h TYR 76 Ca 0.00 -0.37 0.04 0.00 2.00 0.00 0.00 58.73 60.40 2hgu h TYR 76 Cb 0.00 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.65 2hgu h TYR 76 CO 0.00 1.57 -0.40 0.66 -0.00 0.00 0.00 178.16 179.99 2hgu h SER 77 N 0.08 -1.25 0.00 3.88 4.64 -1.98 -0.09 113.55 118.84 2hgu h SER 77 Ca -0.34 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2hgu h SER 77 Cb 2.05 0.51 0.00 0.00 -0.31 0.00 0.00 62.40 64.65 2hgu h SER 77 CO 0.14 -0.42 0.00 0.35 -0.87 0.00 0.00 176.83 176.02 2hgu n THR 78 N -5.43 0.00 -0.08 2.95 -2.24 -1.25 -1.02 114.28 107.21 2hgu n THR 78 Ca -0.04 1.46 -0.10 0.00 -2.27 0.00 0.00 64.05 63.10 2hgu n THR 78 Cb 0.36 -2.20 -0.03 0.00 -2.10 0.00 0.00 70.33 66.36 2hgu n THR 78 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2hgu h PHE 79 N 0.00 0.38 -0.36 4.78 3.57 -0.87 -0.51 116.94 123.93 2hgu h PHE 79 Ca 0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2hgu h PHE 79 Cb 0.00 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2hgu h PHE 79 CO -0.37 0.36 -0.13 0.82 -2.23 0.00 0.00 178.31 176.76 2hgu h ILE 80 N 0.29 1.25 -0.19 1.41 2.04 -1.09 -0.01 117.51 121.20 2hgu h ILE 80 Ca 0.09 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 2hgu h ILE 80 Cb 0.12 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2hgu h ILE 80 CO -0.01 0.37 0.04 -0.74 0.00 0.00 0.00 178.15 177.81 2hgu h HIS 81 N 0.57 0.33 0.26 1.37 2.76 -0.78 -0.00 115.15 119.65 2hgu h HIS 81 Ca 0.10 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2hgu h HIS 81 Cb 0.55 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 2hgu h HIS 81 CO 0.02 0.44 -0.29 0.78 -1.30 0.00 0.00 177.93 177.58 2hgu h GLY 82 N 0.11 -0.64 -0.89 5.26 0.00 -0.53 0.29 103.07 106.66 2hgu h GLY 82 Ca 0.06 0.34 0.19 0.00 0.00 0.00 0.00 47.33 47.92 2hgu h GLY 82 CO 0.00 -0.25 -0.24 -2.00 0.00 0.00 0.00 176.54 174.04 2hgu h LEU 83 N -0.60 -0.91 0.51 3.11 6.46 -0.99 0.37 115.31 123.26 2hgu h LEU 83 Ca -0.00 0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2hgu h LEU 83 Cb 0.56 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2hgu h LEU 83 CO -0.08 -0.31 -0.25 0.11 -0.62 0.00 0.00 178.44 177.28 2hgu h LYS 84 N -0.00 -0.67 -1.07 1.25 1.79 -0.43 -1.27 116.57 116.17 2hgu h LYS 84 Ca 0.45 0.05 0.29 0.00 -2.18 0.00 0.00 60.65 59.25 2hgu h LYS 84 Cb 0.69 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.39 2hgu h LYS 84 CO -0.97 -0.45 0.69 -0.22 -1.08 0.00 0.00 179.45 177.42 2hgu h LYS 85 N -0.69 0.34 -5.48 3.15 3.64 0.10 -3.41 116.57 114.22 2hgu h LYS 85 Ca -0.07 -0.02 -0.73 0.00 -1.27 0.00 0.00 60.65 58.56 2hgu h LYS 85 Cb 0.54 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2hgu h LYS 85 CO 0.11 0.23 1.02 0.00 -2.27 0.00 0.00 179.45 178.54 2hgu n ALA 86 N -2.48 -0.26 -0.00 5.00 0.00 -0.26 -4.96 120.51 117.55 2hgu n ALA 86 Ca 0.27 0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.96 2hgu n ALA 86 Cb 0.94 -1.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 2hgu n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hgu h GLY 87 N 7.06 -1.51 -0.08 0.00 0.00 -1.84 -3.37 103.07 103.33 2hgu h GLY 87 Ca -0.19 0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2hgu h GLY 87 CO 0.96 -0.56 -0.04 1.39 0.00 0.00 0.00 176.54 178.29 2hgu n ILE 88 N -2.81 0.97 -3.76 2.60 2.08 -1.26 -4.98 119.36 112.20 2hgu n ILE 88 Ca -0.01 -1.07 -0.29 0.00 0.56 0.00 0.00 62.75 61.95 2hgu n ILE 88 Cb 0.03 0.40 -0.16 0.00 -0.75 0.00 0.00 39.64 39.16 2hgu n ILE 88 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2hgu s GLU 89 N -1.22 0.79 -0.29 0.38 -1.05 -1.26 -5.12 118.70 110.93 2hgu s GLU 89 Ca 0.08 -0.70 -0.14 0.00 -0.15 0.00 0.00 54.97 54.06 2hgu s GLU 89 Cb 0.07 -2.12 0.13 0.00 -0.44 0.00 0.00 34.13 31.77 2hgu s GLU 89 CO 0.01 -0.75 0.82 0.08 0.95 0.00 0.00 175.26 176.37 2hgu s VAL 90 N 1.73 -0.39 0.00 1.83 1.01 -1.26 -4.51 120.40 118.81 2hgu s VAL 90 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2hgu s VAL 90 Cb -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2hgu s VAL 90 CO -0.14 0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.29 2hgu n ASP 91 N 4.63 0.00 -0.01 3.32 2.03 -1.26 -5.09 116.55 120.17 2hgu n ASP 91 Ca -0.15 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.24 2hgu n ASP 91 Cb 0.54 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.83 2hgu n ASP 91 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2hgu n ARG 92 N 0.00 0.87 0.00 -0.67 0.00 -1.26 -2.76 116.66 112.84 2hgu n ARG 92 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2hgu n ARG 92 Cb 0.00 -1.36 0.00 0.00 -0.00 0.00 0.00 32.46 31.10 2hgu n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2hgu n LYS 93 N -1.85 0.21 0.00 2.89 4.76 -1.26 -0.34 118.16 122.57 2hgu n LYS 93 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2hgu n LYS 93 Cb 0.38 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 2hgu n LYS 93 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2hgu n ASN 94 N 0.36 0.00 -0.09 4.39 3.02 -1.26 -4.77 115.26 116.91 2hgu n ASN 94 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 2hgu n ASN 94 Cb 0.05 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 2hgu n ASN 94 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2hgu h LEU 95 N 0.00 -0.01 0.00 3.41 3.38 -0.49 0.10 115.31 121.70 2hgu h LEU 95 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hgu h LEU 95 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2hgu h LEU 95 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 2hgu n ALA 96 N -2.39 -0.35 -0.04 1.53 0.00 -1.23 -1.46 120.51 116.57 2hgu n ALA 96 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2hgu n ALA 96 Cb 0.14 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.62 2hgu n ALA 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hgu n ASP 97 N -1.59 -0.03 0.20 0.00 9.92 -1.12 -0.49 116.55 123.44 2hgu n ASP 97 Ca 0.00 0.17 -0.08 0.00 -0.53 0.00 0.00 54.79 54.35 2hgu n ASP 97 Cb 0.00 -0.05 -0.04 0.00 -0.64 0.00 0.00 41.12 40.39 2hgu n ASP 97 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2hgu h LEU 98 N 0.00 -0.45 -1.29 0.64 -0.00 -0.52 0.14 115.31 113.82 2hgu h LEU 98 Ca 0.05 0.02 0.34 0.00 -0.00 0.00 0.00 57.88 58.29 2hgu h LEU 98 Cb 0.08 0.12 -0.12 0.00 -0.00 0.00 0.00 40.66 40.74 2hgu h LEU 98 CO -0.10 -0.23 0.71 0.00 -0.00 0.00 0.00 178.44 178.81 2hgu h ALA 99 N -1.58 2.34 -3.00 1.53 0.00 0.37 -0.36 119.26 118.56 2hgu h ALA 99 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hgu h ALA 99 Cb 0.41 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2hgu h ALA 99 CO 0.09 -0.88 0.00 0.28 0.00 0.00 0.00 179.25 178.74 2hgu n VAL 100 N -4.75 0.00 -0.41 0.00 0.31 -0.44 -4.13 118.33 108.91 2hgu n VAL 100 Ca 0.31 0.77 0.33 0.00 -0.01 0.00 0.00 64.34 65.74 2hgu n VAL 100 Cb 1.10 -1.68 0.61 0.00 -0.91 0.00 0.00 33.84 32.96 2hgu n VAL 100 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2hgu h ARG 101 N 0.00 0.14 -2.62 5.55 0.11 -0.39 -3.37 114.38 113.80 2hgu h ARG 101 Ca 0.00 -0.01 -0.34 0.00 0.10 0.00 0.00 59.98 59.73 2hgu h ARG 101 Cb 0.00 -0.03 -0.37 0.00 1.11 0.00 0.00 29.97 30.68 2hgu h ARG 101 CO 0.00 0.09 -0.65 -2.00 0.10 0.00 0.00 179.97 177.51 2hgu s GLU 102 N -5.38 0.17 0.10 0.08 2.56 -0.17 -5.03 118.70 111.03 2hgu s GLU 102 Ca -0.08 0.15 -0.22 0.00 0.00 0.00 0.00 54.97 54.82 2hgu s GLU 102 Cb 0.30 -1.32 -0.06 0.00 2.00 0.00 0.00 34.13 35.04 2hgu s GLU 102 CO 0.81 -0.66 1.38 -1.00 -0.56 0.00 0.00 175.26 175.23 2hgu h PRO 103 N 8.33 -0.10 0.37 4.30 0.13 -1.74 0.80 132.00 144.09 2hgu h PRO 103 Ca -0.17 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2hgu h PRO 103 Cb 1.15 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2hgu h PRO 103 CO 0.28 -0.07 -0.45 1.96 -0.23 0.00 0.00 178.00 179.49 2hgu h GLN 104 N -0.11 -0.83 -0.10 0.86 4.20 -1.93 -0.29 115.11 116.92 2hgu h GLN 104 Ca 0.09 0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.86 2hgu h GLN 104 Cb 0.33 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2hgu h GLN 104 CO -0.56 -0.55 -0.06 0.28 -0.67 0.00 0.00 178.83 177.27 2hgu n VAL 105 N -5.52 -0.07 0.07 -0.54 0.31 0.12 0.14 118.33 112.84 2hgu n VAL 105 Ca -0.10 0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 64.72 2hgu n VAL 105 Cb 0.42 -0.80 -0.09 0.00 -0.91 0.00 0.00 33.84 32.46 2hgu n VAL 105 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2hgu h PHE 106 N 0.00 -0.17 -0.04 3.52 3.57 -0.95 -1.61 116.94 121.26 2hgu h PHE 106 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2hgu h PHE 106 Cb 0.04 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2hgu h PHE 106 CO -0.34 0.19 -0.02 0.00 -2.23 0.00 0.00 178.31 175.91 2hgu n ALA 107 N -2.38 -0.03 -0.02 2.41 0.00 0.37 0.11 120.51 120.97 2hgu n ALA 107 Ca -0.09 0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2hgu n ALA 107 Cb 0.23 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 2hgu n ALA 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hgu h GLU 108 N 0.00 0.26 -0.75 0.00 9.09 -1.02 -0.82 114.58 121.34 2hgu h GLU 108 Ca 0.01 -0.25 0.25 0.00 0.05 0.00 0.00 59.36 59.41 2hgu h GLU 108 Cb 0.02 0.06 -0.14 0.00 -1.65 0.00 0.00 28.75 27.04 2hgu h GLU 108 CO -0.04 0.93 0.15 1.28 0.05 0.00 0.00 179.01 181.39 2hgu n LEU 109 N -4.44 0.04 0.00 3.06 4.77 0.31 0.24 117.00 120.97 2hgu n LEU 109 Ca -0.09 1.27 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2hgu n LEU 109 Cb 0.52 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hgu n LEU 109 CO 0.41 -1.33 0.42 0.52 -1.33 0.00 0.00 177.39 176.08 2hgu n VAL 110 N -4.92 0.00 -0.04 4.08 0.31 0.15 -0.85 118.33 117.05 2hgu n VAL 110 Ca 0.22 1.34 -0.01 0.00 -0.01 0.00 0.00 64.34 65.87 2hgu n VAL 110 Cb 0.72 -2.29 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 2hgu n VAL 110 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2hgu n GLU 111 N -1.59 -0.05 0.20 5.55 0.28 0.66 0.11 120.64 125.79 2hgu n GLU 111 Ca 0.00 0.18 -0.12 0.00 -0.16 0.00 0.00 57.16 57.06 2hgu n GLU 111 Cb 0.00 -0.27 -0.07 0.00 1.43 0.00 0.00 31.44 32.53 2hgu n GLU 111 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2hgu h ARG 112 N 0.00 -0.52 -0.95 3.44 2.43 -1.07 -1.36 114.38 116.34 2hgu h ARG 112 Ca 0.02 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.43 2hgu h ARG 112 Cb 0.04 0.12 -0.18 0.00 -0.42 0.00 0.00 29.97 29.53 2hgu h ARG 112 CO -0.10 -0.21 -0.15 0.00 -1.51 0.00 0.00 179.97 178.00 2hgu h ALA 113 N -0.63 0.79 -0.41 2.80 0.00 0.27 2.61 119.26 124.69 2hgu h ALA 113 Ca -0.06 0.36 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2hgu h ALA 113 Cb 0.55 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2hgu h ALA 113 CO 0.09 -0.44 0.05 1.57 0.00 0.00 0.00 179.25 180.52 2hgu h LYS 114 N 0.01 0.17 0.11 0.00 2.10 -0.90 -1.07 116.57 116.97 2hgu h LYS 114 Ca 0.49 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 59.14 2hgu h LYS 114 Cb 0.84 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.11 2hgu h LYS 114 CO -0.95 0.11 -0.33 0.00 -2.00 0.00 0.00 179.45 176.28 2hgu h ALA 115 N 1.33 -0.86 -0.70 0.07 0.00 0.56 0.42 119.26 120.07 2hgu h ALA 115 Ca 0.20 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2hgu h ALA 115 Cb 0.26 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 2hgu h ALA 115 CO -0.28 -0.93 -0.27 0.00 0.00 0.00 0.00 179.25 177.77 2hgu n ALA 116 N -2.73 -0.07 -0.11 0.00 0.00 0.44 0.26 120.51 118.30 2hgu n ALA 116 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2hgu n ALA 116 Cb 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2hgu n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hgu n GLN 117 N -5.04 0.00 0.00 0.00 1.13 -0.51 -5.00 117.38 107.96 2hgu n GLN 117 Ca 0.07 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.74 2hgu n GLN 117 Cb 0.29 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.19 2hgu n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03