#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu s HIS 3 N 0.00 0.46 0.00 -0.14 5.04 -1.26 -4.98 115.29 114.41 2hgu s HIS 3 Ca 0.00 -0.39 0.00 0.00 -1.54 0.00 0.00 55.06 53.13 2hgu s HIS 3 Cb 0.00 -0.29 0.00 0.00 0.04 0.00 0.00 32.58 32.33 2hgu s HIS 3 CO 0.00 -0.09 0.00 -0.11 -2.34 0.00 0.00 174.74 172.20 2hgu n LEU 4 N 1.90 0.00 -4.40 8.88 0.00 -1.26 -5.13 117.00 116.99 2hgu n LEU 4 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.38 2hgu n LEU 4 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.98 2hgu n LEU 4 CO 0.22 0.00 -0.09 1.17 0.00 0.00 0.00 177.39 178.69 2hgu n LYS 5 N -0.64 0.36 -3.59 1.96 0.00 -1.26 -4.95 118.16 110.05 2hgu n LYS 5 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 58.31 58.29 2hgu n LYS 5 Cb 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 35.03 33.64 2hgu n LYS 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2hgu s SER 6 N -0.97 -0.71 -0.10 3.14 1.04 -1.26 -5.16 113.70 109.70 2hgu s SER 6 Ca 0.62 1.16 0.04 0.00 0.48 0.00 0.00 55.95 58.25 2hgu s SER 6 Cb -0.63 1.10 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2hgu s SER 6 CO 0.59 -0.38 -0.23 -0.83 0.98 0.00 0.00 173.24 173.37 2hgu s GLY 7 N -0.21 1.29 0.33 7.32 0.00 -1.26 -4.99 107.32 109.79 2hgu s GLY 7 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2hgu s GLY 7 CO 0.04 -0.30 0.00 -2.13 0.00 0.00 0.00 173.10 170.71 2hgu n ARG 8 N 3.53 -2.31 0.00 2.90 0.00 -1.26 -4.99 116.66 114.52 2hgu n ARG 8 Ca -0.19 1.67 0.00 0.00 -0.00 0.00 0.00 57.85 59.33 2hgu n ARG 8 Cb 0.53 -2.87 0.00 0.00 0.00 0.00 0.00 32.46 30.12 2hgu n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2hgu n LYS 9 N -3.61 0.00 -3.62 -0.14 5.02 -1.26 -5.20 118.16 109.35 2hgu n LYS 9 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 2hgu n LYS 9 Cb 0.64 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.59 2hgu n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2hgu s LEU 10 N 0.00 0.15 0.63 -0.35 1.43 -1.26 -5.09 118.68 114.19 2hgu s LEU 10 Ca 0.00 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2hgu s LEU 10 Cb 0.00 1.95 0.11 0.00 0.03 0.00 0.00 46.19 48.27 2hgu s LEU 10 CO 0.00 -0.70 0.88 0.21 0.23 0.00 0.00 176.35 176.97 2hgu s ASN 11 N -2.01 4.80 0.00 2.29 3.84 -1.26 -4.88 114.94 117.71 2hgu s ASN 11 Ca -0.05 -0.74 0.00 0.00 0.21 0.00 0.00 52.86 52.28 2hgu s ASN 11 Cb -0.01 0.30 0.00 0.00 -0.55 0.00 0.00 41.25 40.99 2hgu s ASN 11 CO -0.02 -1.57 0.00 0.54 -2.79 0.00 0.00 177.10 173.26 2hgu n ARG 12 N -2.47 0.00 -3.66 0.43 1.74 -1.26 -4.64 116.66 106.80 2hgu n ARG 12 Ca 0.16 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.19 2hgu n ARG 12 Cb 0.61 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.04 2hgu n ARG 12 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2hgu s HIS 13 N 0.00 -0.20 -0.02 -1.55 5.65 -1.26 -5.02 115.29 112.89 2hgu s HIS 13 Ca 0.00 -0.03 -0.25 0.00 0.25 0.00 0.00 55.06 55.03 2hgu s HIS 13 Cb 0.00 0.60 -0.18 0.00 -1.18 0.00 0.00 32.58 31.81 2hgu s HIS 13 CO 0.00 -0.68 1.20 0.66 -0.65 0.00 0.00 174.74 175.27 2hgu h SER 14 N 2.00 -0.12 -0.68 9.88 4.64 -1.96 0.58 113.55 127.90 2hgu h SER 14 Ca -0.24 -0.37 0.01 0.00 -0.47 0.00 0.00 61.79 60.72 2hgu h SER 14 Cb 1.23 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 2hgu h SER 14 CO 0.27 0.33 0.45 0.77 -0.87 0.00 0.00 176.83 177.78 2hgu h SER 15 N -0.61 0.79 0.10 4.97 4.64 -1.99 -0.70 113.55 120.76 2hgu h SER 15 Ca -0.01 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2hgu h SER 15 Cb 0.48 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2hgu h SER 15 CO 0.02 0.58 -0.12 0.45 -0.87 0.00 0.00 176.83 176.89 2hgu h HIS 16 N 0.92 -0.33 -0.79 4.77 -0.00 -1.96 -0.32 115.15 117.44 2hgu h HIS 16 Ca 0.25 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.70 2hgu h HIS 16 Cb -0.10 0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 27.35 2hgu h HIS 16 CO -0.02 -0.15 -0.45 2.89 -0.00 0.00 0.00 177.93 180.19 2hgu n ARG 17 N -3.03 -0.33 -0.15 2.45 1.85 0.19 0.94 116.66 118.58 2hgu n ARG 17 Ca -0.03 1.20 -0.04 0.00 -1.00 0.00 0.00 57.85 57.98 2hgu n ARG 17 Cb 0.10 -1.76 0.02 0.00 -1.05 0.00 0.00 32.46 29.78 2hgu n ARG 17 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2hgu h LEU 18 N 0.00 -0.73 -0.64 2.89 -0.00 -0.96 0.30 115.31 116.17 2hgu h LEU 18 Ca 0.14 0.17 0.13 0.00 -0.00 0.00 0.00 57.88 58.33 2hgu h LEU 18 Cb 0.34 0.40 -0.12 0.00 -0.00 0.00 0.00 40.66 41.29 2hgu h LEU 18 CO -0.75 -0.24 -0.10 0.00 -0.00 0.00 0.00 178.44 177.36 2hgu h ALA 19 N 1.24 0.51 -0.76 1.53 0.00 0.24 -0.59 119.26 121.43 2hgu h ALA 19 Ca 0.23 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2hgu h ALA 19 Cb 0.46 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2hgu h ALA 19 CO -0.55 -0.42 0.00 -0.11 0.00 0.00 0.00 179.25 178.17 2hgu n LEU 20 N -5.38 0.00 -0.25 0.00 -0.00 0.83 -0.98 117.00 111.22 2hgu n LEU 20 Ca 0.09 0.87 0.04 0.00 -0.00 0.00 0.00 56.01 57.01 2hgu n LEU 20 Cb 0.35 -0.37 0.10 0.00 -0.00 0.00 0.00 43.42 43.49 2hgu n LEU 20 CO 0.06 -0.37 0.46 -1.22 -0.00 0.00 0.00 177.39 176.32 2hgu n TYR 21 N -1.77 0.25 0.00 1.96 0.53 0.19 0.13 117.16 118.45 2hgu n TYR 21 Ca 0.00 0.85 0.00 0.00 -1.02 0.00 0.00 57.90 57.73 2hgu n TYR 21 Cb 0.00 -0.90 0.00 0.00 -1.03 0.00 0.00 39.34 37.41 2hgu n TYR 21 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2hgu n ARG 22 N -5.13 0.00 -0.33 -0.72 0.63 -0.25 -0.69 116.66 110.16 2hgu n ARG 22 Ca 0.11 0.32 -0.00 0.00 -0.92 0.00 0.00 57.85 57.36 2hgu n ARG 22 Cb 0.35 -1.30 0.04 0.00 0.45 0.00 0.00 32.46 32.00 2hgu n ARG 22 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2hgu n ASN 23 N -1.47 -0.54 0.38 6.15 2.85 0.12 -0.59 115.26 122.16 2hgu n ASN 23 Ca 0.00 1.50 -0.15 0.00 -0.11 0.00 0.00 54.58 55.82 2hgu n ASN 23 Cb 0.00 -0.35 -0.07 0.00 1.24 0.00 0.00 39.78 40.60 2hgu n ASN 23 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2hgu h GLN 24 N 0.00 -0.95 -0.64 1.20 4.20 -1.05 -0.28 115.11 117.60 2hgu h GLN 24 Ca 0.31 0.06 0.12 0.00 0.06 0.00 0.00 58.65 59.20 2hgu h GLN 24 Cb 0.52 0.21 -0.12 0.00 0.30 0.00 0.00 27.48 28.40 2hgu h GLN 24 CO -0.86 -0.63 -0.18 0.00 -0.67 0.00 0.00 178.83 176.49 2hgu n ALA 25 N -2.51 0.10 0.46 3.87 0.00 0.24 0.15 120.51 122.82 2hgu n ALA 25 Ca -0.12 0.69 -0.20 0.00 0.00 0.00 0.00 53.44 53.81 2hgu n ALA 25 Cb 0.39 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2hgu n ALA 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2hgu h LYS 26 N 0.00 -1.19 -0.65 0.00 1.57 -0.45 -0.42 116.57 115.42 2hgu h LYS 26 Ca 0.29 0.08 0.14 0.00 -1.87 0.00 0.00 60.65 59.29 2hgu h LYS 26 Cb 0.45 0.27 -0.12 0.00 0.08 0.00 0.00 32.23 32.91 2hgu h LYS 26 CO -0.65 -0.79 -0.07 0.77 -0.57 0.00 0.00 179.45 178.13 2hgu h SER 27 N -1.24 -0.43 0.66 0.86 0.02 0.15 -0.38 113.55 113.19 2hgu h SER 27 Ca -0.12 0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2hgu h SER 27 Cb 0.97 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 2hgu h SER 27 CO 0.15 -0.17 -0.38 0.25 -1.14 0.00 0.00 176.83 175.55 2hgu h LEU 28 N 0.06 -0.94 -0.83 5.07 7.12 -1.05 -0.01 115.31 124.74 2hgu h LEU 28 Ca 0.33 0.05 0.13 0.00 0.13 0.00 0.00 57.88 58.52 2hgu h LEU 28 Cb 0.53 0.27 -0.13 0.00 -0.53 0.00 0.00 40.66 40.80 2hgu h LEU 28 CO -0.61 -0.60 -0.33 0.18 -0.13 0.00 0.00 178.44 176.95 2hgu n LEU 29 N -5.52 -0.54 -0.08 2.25 7.99 -0.17 -0.12 117.00 120.79 2hgu n LEU 29 Ca -0.13 1.44 -0.12 0.00 -0.01 0.00 0.00 56.01 57.19 2hgu n LEU 29 Cb 0.41 -0.33 -0.08 0.00 -0.11 0.00 0.00 43.42 43.31 2hgu n LEU 29 CO 0.36 -1.29 0.50 0.74 -1.51 0.00 0.00 177.39 176.18 2hgu h THR 30 N 0.00 0.00 -0.10 -5.08 2.02 0.54 -3.19 112.91 107.10 2hgu h THR 30 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.47 2hgu h THR 30 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2hgu h THR 30 CO -0.82 0.00 0.00 1.41 0.37 0.00 0.00 175.52 176.48 2hgu n HIS 31 N -4.92 0.11 -0.06 3.16 8.25 0.82 -4.94 115.22 117.64 2hgu n HIS 31 Ca -0.04 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2hgu n HIS 31 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2hgu n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hgu n GLY 32 N 1.24 1.68 3.62 -1.41 0.00 0.26 -4.83 105.19 105.76 2hgu n GLY 32 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2hgu n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hgu s ARG 33 N -0.03 0.57 0.25 1.61 3.52 -1.26 0.26 118.95 123.86 2hgu s ARG 33 Ca 0.00 0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 56.10 2hgu s ARG 33 Cb 0.00 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 2hgu s ARG 33 CO 0.00 -0.09 0.31 0.42 -0.81 0.00 0.00 175.30 175.13 2hgu s ILE 34 N -0.02 0.00 -0.01 4.11 -1.09 0.10 -4.92 121.20 119.37 2hgu s ILE 34 Ca 0.02 -1.73 0.04 0.00 -2.23 0.00 0.00 60.65 56.75 2hgu s ILE 34 Cb -0.04 -2.42 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 2hgu s ILE 34 CO -0.04 0.00 -0.14 0.42 -1.23 0.00 0.00 174.94 173.95 2hgu s THR 35 N -3.90 1.14 0.00 2.92 -4.23 -1.26 -0.90 115.64 109.42 2hgu s THR 35 Ca 0.32 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 2hgu s THR 35 Cb 0.03 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.91 2hgu s THR 35 CO 0.13 0.33 0.00 0.35 -0.54 0.00 0.00 174.62 174.89 2hgu n THR 36 N 2.80 0.00 -4.06 3.99 -2.24 -0.42 -4.97 114.28 109.38 2hgu n THR 36 Ca -0.15 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 2hgu n THR 36 Cb 0.55 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 2hgu n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hgu s THR 37 N -1.28 4.76 0.00 4.28 -4.23 -1.26 -0.84 115.64 117.07 2hgu s THR 37 Ca 0.00 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2hgu s THR 37 Cb 0.00 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2hgu s THR 37 CO 0.00 0.27 0.00 0.52 -0.54 0.00 0.00 174.62 174.87 2hgu n VAL 38 N 0.90 0.00 0.03 2.29 0.31 -0.37 -1.27 118.33 120.23 2hgu n VAL 38 Ca -0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.15 2hgu n VAL 38 Cb 0.52 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 2hgu n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2hgu h PRO 39 N 0.00 -0.30 -0.49 5.55 0.11 -1.95 -1.14 132.00 133.78 2hgu h PRO 39 Ca 0.00 0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.24 2hgu h PRO 39 Cb 0.00 0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.09 2hgu h PRO 39 CO 0.00 -0.20 -0.06 1.63 -0.21 0.00 0.00 178.00 179.16 2hgu n LYS 40 N -3.83 -0.04 0.00 1.05 5.02 -0.39 0.11 118.16 120.08 2hgu n LYS 40 Ca -0.03 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2hgu n LYS 40 Cb 0.18 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2hgu n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hgu n ALA 41 N -3.64 -0.32 -0.19 7.82 0.00 -0.68 -1.11 120.51 122.40 2hgu n ALA 41 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2hgu n ALA 41 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 2hgu n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgu n LYS 42 N -1.55 -0.15 0.20 0.00 4.76 0.29 -1.08 118.16 120.63 2hgu n LYS 42 Ca 0.00 0.72 -0.12 0.00 -2.87 0.00 0.00 58.31 56.04 2hgu n LYS 42 Cb 0.00 -1.07 -0.07 0.00 -1.84 0.00 0.00 35.03 32.05 2hgu n LYS 42 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2hgu h GLU 43 N 0.00 -0.52 -0.84 1.97 4.57 -1.15 -1.92 114.58 116.69 2hgu h GLU 43 Ca 0.13 0.04 0.24 0.00 -1.18 0.00 0.00 59.36 58.59 2hgu h GLU 43 Cb 0.25 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 2hgu h GLU 43 CO -0.46 -0.22 0.78 1.25 -1.18 0.00 0.00 179.01 179.18 2hgu h LEU 44 N -0.96 0.00 0.00 1.64 7.12 -0.09 0.79 115.31 123.80 2hgu h LEU 44 Ca -0.06 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2hgu h LEU 44 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 2hgu h LEU 44 CO 0.09 0.00 0.00 -1.14 -0.13 0.00 0.00 178.44 177.26 2hgu n ARG 45 N -3.75 0.00 -0.34 1.25 0.63 -0.25 -0.86 116.66 113.35 2hgu n ARG 45 Ca 0.18 0.44 0.18 0.00 -0.92 0.00 0.00 57.85 57.73 2hgu n ARG 45 Cb 1.06 -1.37 0.36 0.00 0.45 0.00 0.00 32.46 32.96 2hgu n ARG 45 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2hgu h GLY 46 N 0.00 1.48 0.26 5.14 0.00 0.13 -0.15 103.07 109.93 2hgu h GLY 46 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2hgu h GLY 46 CO 0.00 -0.58 -0.13 -2.75 0.00 0.00 0.00 176.54 173.09 2hgu h PHE 47 N 0.01 -0.33 -0.23 5.60 3.57 -1.24 -1.81 116.94 122.53 2hgu h PHE 47 Ca 0.65 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.21 2hgu h PHE 47 Cb 1.45 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 2hgu h PHE 47 CO -0.38 -0.20 0.18 0.28 -2.23 0.00 0.00 178.31 175.96 2hgu h VAL 48 N -0.38 0.73 0.00 1.41 2.07 -0.85 -0.42 116.25 118.81 2hgu h VAL 48 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2hgu h VAL 48 Cb 0.27 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2hgu h VAL 48 CO 0.06 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.12 2hgu n ASP 49 N -4.22 0.00 -0.23 0.57 9.92 -0.08 -0.95 116.55 121.55 2hgu n ASP 49 Ca 0.02 0.97 -0.05 0.00 -0.53 0.00 0.00 54.79 55.20 2hgu n ASP 49 Cb 0.33 -0.47 0.05 0.00 -0.64 0.00 0.00 41.12 40.39 2hgu n ASP 49 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2hgu h HIS 50 N 0.00 0.80 -0.53 1.24 -0.00 -0.33 -1.16 115.15 115.17 2hgu h HIS 50 Ca 0.00 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 2hgu h HIS 50 Cb 0.00 -0.27 -0.08 0.00 -0.00 0.00 0.00 27.41 27.06 2hgu h HIS 50 CO -0.21 0.49 -0.47 -0.07 -0.00 0.00 0.00 177.93 177.68 2hgu h LEU 51 N 0.86 -1.62 -1.03 0.26 4.07 -1.01 0.11 115.31 116.94 2hgu h LEU 51 Ca 0.24 0.23 0.07 0.00 0.08 0.00 0.00 57.88 58.51 2hgu h LEU 51 Cb -0.07 0.69 -0.07 0.00 1.08 0.00 0.00 40.66 42.29 2hgu h LEU 51 CO -0.07 -0.27 0.64 -0.29 -1.08 0.00 0.00 178.44 177.37 2hgu h ILE 52 N -0.19 1.07 -0.80 1.22 -0.00 -0.87 0.21 117.51 118.14 2hgu h ILE 52 Ca 0.09 -0.39 0.18 0.00 -0.00 0.00 0.00 64.86 64.74 2hgu h ILE 52 Cb 0.42 -0.17 -0.11 0.00 -0.00 0.00 0.00 36.82 36.96 2hgu h ILE 52 CO -0.60 0.21 0.27 -0.74 -0.00 0.00 0.00 178.15 177.29 2hgu h HIS 53 N 1.14 0.45 -0.59 2.19 2.76 0.45 0.33 115.15 121.87 2hgu h HIS 53 Ca 0.43 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.56 2hgu h HIS 53 Cb 0.21 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2hgu h HIS 53 CO -0.00 -0.05 0.02 1.25 -1.30 0.00 0.00 177.93 177.85 2hgu h LEU 54 N 0.35 1.00 -0.94 0.26 5.85 0.69 -0.46 115.31 122.05 2hgu h LEU 54 Ca 0.47 -0.30 0.25 0.00 0.84 0.00 0.00 57.88 59.14 2hgu h LEU 54 Cb 0.82 -0.27 -0.17 0.00 0.37 0.00 0.00 40.66 41.42 2hgu h LEU 54 CO -0.50 1.05 0.03 0.00 -0.34 0.00 0.00 178.44 178.67 2hgu h ALA 55 N 0.99 1.09 0.49 1.25 0.00 0.12 0.16 119.26 123.35 2hgu h ALA 55 Ca 0.17 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 2hgu h ALA 55 Cb 0.52 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2hgu h ALA 55 CO 0.03 -0.53 -0.23 0.87 0.00 0.00 0.00 179.25 179.38 2hgu h LYS 56 N 0.04 -0.63 0.00 0.00 1.57 -0.70 -3.17 116.57 113.68 2hgu h LYS 56 Ca 0.56 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2hgu h LYS 56 Cb 1.11 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2hgu h LYS 56 CO -0.86 -0.41 0.00 -2.13 -0.57 0.00 0.00 179.45 175.48 2hgu n ARG 57 N -5.21 0.00 -1.57 3.15 0.63 0.41 -4.70 116.66 109.36 2hgu n ARG 57 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2hgu n ARG 57 Cb 0.27 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.18 2hgu n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hgu n GLY 58 N -0.90 -4.64 0.00 5.14 0.00 -0.34 -4.99 105.19 99.46 2hgu n GLY 58 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2hgu n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hgu n ASP 59 N -0.68 0.00 -0.04 1.61 5.75 -1.26 -4.72 116.55 117.21 2hgu n ASP 59 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 2hgu n ASP 59 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 2hgu n ASP 59 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2hgu h LEU 60 N 0.00 -0.67 0.21 -2.12 -0.00 -1.99 -1.16 115.31 109.57 2hgu h LEU 60 Ca 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2hgu h LEU 60 Cb 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2hgu h LEU 60 CO 0.00 -0.16 -0.10 -0.74 -0.00 0.00 0.00 178.44 177.44 2hgu h HIS 61 N -0.17 -0.26 -0.75 0.17 2.76 -1.99 -0.84 115.15 114.08 2hgu h HIS 61 Ca 0.02 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.26 2hgu h HIS 61 Cb 0.23 0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.18 2hgu h HIS 61 CO -0.60 -0.16 -0.44 0.00 -1.30 0.00 0.00 177.93 175.43 2hgu n ALA 62 N -2.14 -0.47 -0.15 5.26 0.00 -1.23 0.15 120.51 121.92 2hgu n ALA 62 Ca -0.03 0.64 -0.09 0.00 0.00 0.00 0.00 53.44 53.96 2hgu n ALA 62 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 2hgu n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu h ARG 63 N 0.00 -0.28 -0.99 0.00 3.08 -1.20 0.61 114.38 115.60 2hgu h ARG 63 Ca 0.13 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.30 2hgu h ARG 63 Cb 0.31 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.30 2hgu h ARG 63 CO -0.71 -0.19 -0.55 0.07 -1.07 0.00 0.00 179.97 177.53 2hgu h ARG 64 N -0.29 -0.01 0.35 0.04 0.11 0.28 -0.35 114.38 114.52 2hgu h ARG 64 Ca 0.15 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.22 2hgu h ARG 64 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2hgu h ARG 64 CO -0.61 -0.01 -0.17 1.25 0.10 0.00 0.00 179.97 180.53 2hgu h LEU 65 N -0.01 -0.40 -2.03 0.08 6.46 0.19 0.97 115.31 120.58 2hgu h LEU 65 Ca 0.20 0.01 0.13 0.00 -0.12 0.00 0.00 57.88 58.10 2hgu h LEU 65 Cb 0.45 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2hgu h LEU 65 CO -0.94 -0.18 0.37 0.58 -0.62 0.00 0.00 178.44 177.65 2hgu h VAL 66 N -0.69 0.64 0.06 1.05 2.07 -1.32 3.25 116.25 121.31 2hgu h VAL 66 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2hgu h VAL 66 Cb 0.36 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2hgu h VAL 66 CO 0.08 0.00 -0.03 0.25 0.02 0.00 0.00 177.57 177.89 2hgu h LEU 67 N 0.00 -0.07 -1.35 2.57 7.12 -0.95 0.91 115.31 123.54 2hgu h LEU 67 Ca 0.22 -0.10 0.42 0.00 0.13 0.00 0.00 57.88 58.55 2hgu h LEU 67 Cb 0.95 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 41.01 2hgu h LEU 67 CO -0.00 0.06 0.93 -1.14 -0.13 0.00 0.00 178.44 178.16 2hgu n ARG 68 N -5.07 -0.01 -0.08 1.25 0.63 1.07 -0.74 116.66 113.71 2hgu n ARG 68 Ca -0.08 0.91 -0.07 0.00 -0.92 0.00 0.00 57.85 57.69 2hgu n ARG 68 Cb 0.10 -1.96 -0.03 0.00 0.45 0.00 0.00 32.46 31.02 2hgu n ARG 68 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2hgu n ASP 69 N -3.85 1.83 0.22 6.15 9.92 0.14 -4.65 116.55 126.32 2hgu n ASP 69 Ca 0.34 0.58 0.07 0.00 -0.53 0.00 0.00 54.79 55.25 2hgu n ASP 69 Cb 1.43 -0.87 0.52 0.00 -0.64 0.00 0.00 41.12 41.56 2hgu n ASP 69 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2hgu h LEU 70 N -1.00 0.00 -3.19 0.64 3.38 0.15 -3.48 115.31 111.80 2hgu h LEU 70 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2hgu h LEU 70 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2hgu h LEU 70 CO -0.03 0.23 -1.03 0.00 0.09 0.00 0.00 178.44 177.70 2hgu n GLN 71 N -3.93 -1.31 0.00 1.13 6.02 0.08 -5.00 117.38 114.38 2hgu n GLN 71 Ca -0.02 1.31 0.00 0.00 -0.01 0.00 0.00 57.00 58.29 2hgu n GLN 71 Cb 0.32 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.40 2hgu n GLN 71 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2hgu n ASP 72 N 0.68 0.00 0.00 1.08 2.03 -1.26 -5.02 116.55 114.05 2hgu n ASP 72 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2hgu n ASP 72 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2hgu n ASP 72 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2hgu n VAL 73 N 0.00 0.00 0.00 5.18 0.24 -1.26 -0.99 118.33 121.50 2hgu n VAL 73 Ca 0.00 1.34 0.00 0.00 -2.04 0.00 0.00 64.34 63.64 2hgu n VAL 73 Cb 0.00 -2.28 0.00 0.00 -1.47 0.00 0.00 33.84 30.09 2hgu n VAL 73 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2hgu n LYS 74 N -1.63 0.00 0.07 7.34 4.01 -1.26 -0.51 118.16 126.19 2hgu n LYS 74 Ca 0.00 0.27 -0.05 0.00 -0.51 0.00 0.00 58.31 58.02 2hgu n LYS 74 Cb 0.00 -0.47 -0.03 0.00 -0.51 0.00 0.00 35.03 34.03 2hgu n LYS 74 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2hgu h LEU 75 N 0.00 -0.40 0.00 -0.35 6.46 -1.98 -0.06 115.31 118.99 2hgu h LEU 75 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2hgu h LEU 75 Cb 0.00 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 2hgu h LEU 75 CO 0.00 -0.18 0.00 0.52 -0.62 0.00 0.00 178.44 178.16 2hgu n VAL 76 N -3.18 0.00 0.02 1.05 0.31 0.34 0.83 118.33 117.70 2hgu n VAL 76 Ca -0.03 0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 64.57 2hgu n VAL 76 Cb 0.12 -0.54 -0.08 0.00 -0.91 0.00 0.00 33.84 32.43 2hgu n VAL 76 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2hgu h ARG 77 N 0.00 -0.00 -0.98 5.55 3.08 -0.94 -0.66 114.38 120.43 2hgu h ARG 77 Ca 0.00 0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.38 2hgu h ARG 77 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 2hgu h ARG 77 CO 0.00 0.18 0.45 -0.22 -1.07 0.00 0.00 179.97 179.31 2hgu h LYS 78 N -0.19 0.17 0.31 0.04 3.64 0.24 0.55 116.57 121.34 2hgu h LYS 78 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2hgu h LYS 78 Cb 0.19 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2hgu h LYS 78 CO 0.00 0.11 -0.15 1.25 -2.27 0.00 0.00 179.45 178.40 2hgu h LEU 79 N 0.18 -0.35 -0.77 5.20 6.46 0.33 0.54 115.31 126.89 2hgu h LEU 79 Ca 0.73 0.01 0.19 0.00 -0.12 0.00 0.00 57.88 58.69 2hgu h LEU 79 Cb 1.71 0.09 -0.15 0.00 -0.73 0.00 0.00 40.66 41.58 2hgu h LEU 79 CO -0.70 -0.22 -0.06 0.33 -0.62 0.00 0.00 178.44 177.17 2hgu n PHE 80 N -3.30 0.41 -0.07 1.25 7.35 0.18 -1.29 117.46 121.99 2hgu n PHE 80 Ca -0.05 0.94 -0.05 0.00 -0.76 0.00 0.00 57.45 57.52 2hgu n PHE 80 Cb 0.16 -1.03 -0.13 0.00 0.35 0.00 0.00 39.48 38.83 2hgu n PHE 80 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2hgu n ASP 81 N -5.15 0.87 0.03 -2.13 5.75 -0.20 -4.08 116.55 111.64 2hgu n ASP 81 Ca 0.16 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.75 2hgu n ASP 81 Cb 0.52 1.06 -0.09 0.00 -1.03 0.00 0.00 41.12 41.58 2hgu n ASP 81 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2hgu h GLU 82 N 0.00 0.71 0.00 0.11 4.39 -0.23 -3.40 114.58 116.15 2hgu h GLU 82 Ca -0.38 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.61 2hgu h GLU 82 Cb 1.84 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2hgu h GLU 82 CO 0.02 1.30 -0.95 -0.89 -1.16 0.00 0.00 179.01 177.33 2hgu n ILE 83 N -3.87 0.00 -0.26 3.13 2.08 -0.41 -4.71 119.36 115.33 2hgu n ILE 83 Ca -0.10 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.19 2hgu n ILE 83 Cb 0.85 -0.77 0.01 0.00 -0.75 0.00 0.00 39.64 38.99 2hgu n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2hgu n ALA 84 N -2.61 -0.13 -0.32 -1.39 0.00 -0.80 -0.34 120.51 114.92 2hgu n ALA 84 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2hgu n ALA 84 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2hgu n ALA 84 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2hgu n PRO 85 N -4.97 0.00 -0.20 0.00 -0.02 -1.26 0.53 135.00 129.08 2hgu n PRO 85 Ca 0.06 0.75 0.27 0.00 -2.02 0.00 0.00 63.50 62.56 2hgu n PRO 85 Cb 0.26 -1.34 0.41 0.00 -0.02 0.00 0.00 33.50 32.81 2hgu n PRO 85 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hgu n ARG 86 N -2.21 0.01 -0.01 -0.52 1.74 0.54 0.19 116.66 116.41 2hgu n ARG 86 Ca 0.00 0.98 -0.12 0.00 -0.77 0.00 0.00 57.85 57.94 2hgu n ARG 86 Cb 0.00 -2.44 -0.14 0.00 -1.02 0.00 0.00 32.46 28.86 2hgu n ARG 86 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2hgu h TYR 87 N 0.00 0.14 -0.17 -1.55 0.99 0.13 -3.46 116.97 113.05 2hgu h TYR 87 Ca 0.47 -0.10 -0.08 0.00 2.00 0.00 0.00 58.73 61.01 2hgu h TYR 87 Cb 2.82 -0.01 -0.03 0.00 1.00 0.00 0.00 36.73 40.52 2hgu h TYR 87 CO 0.00 1.21 0.58 -2.13 -0.00 0.00 0.00 178.16 177.82 2hgu n ARG 88 N -3.18 0.28 0.00 4.88 3.00 0.49 -2.42 116.66 119.71 2hgu n ARG 88 Ca -0.20 -0.74 0.00 0.00 -0.00 0.00 0.00 57.85 56.91 2hgu n ARG 88 Cb 1.05 -2.85 0.00 0.00 0.00 0.00 0.00 32.46 30.66 2hgu n ARG 88 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2hgu n ASP 89 N 14.51 0.00 -4.45 6.15 5.68 -1.26 -5.02 116.55 132.15 2hgu n ASP 89 Ca 0.46 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.46 2hgu n ASP 89 Cb 0.38 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.53 2hgu n ASP 89 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2hgu s ARG 90 N 0.00 0.44 -0.58 0.11 3.52 -1.02 -4.99 118.95 116.42 2hgu s ARG 90 Ca 0.00 0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2hgu s ARG 90 Cb 0.00 -1.77 0.42 0.00 -1.56 0.00 0.00 34.95 32.04 2hgu s ARG 90 CO 0.00 -2.64 1.67 0.94 -0.81 0.00 0.00 175.30 174.46 2hgu n GLN 91 N -4.04 3.06 0.00 5.12 -0.06 -1.26 -5.06 117.38 115.14 2hgu n GLN 91 Ca 0.09 -3.77 0.00 0.00 -2.00 0.00 0.00 57.00 51.32 2hgu n GLN 91 Cb 0.59 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.50 2hgu n GLN 91 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2hgu n GLY 92 N -0.70 -1.81 3.35 1.69 0.00 -1.26 -4.96 105.19 101.51 2hgu n GLY 92 Ca 0.52 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 2hgu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 93 N 0.00 -0.50 0.00 -0.02 0.00 -1.26 -4.75 105.19 98.66 2hgu n GLY 93 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.18 2hgu n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgu n TYR 94 N -4.31 0.00 -4.18 1.61 0.53 -1.26 -4.63 117.16 104.92 2hgu n TYR 94 Ca -0.04 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.56 2hgu n TYR 94 Cb 0.57 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.80 2hgu n TYR 94 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 2hgu s THR 95 N -2.00 3.78 -0.10 -0.72 2.01 -1.26 -0.58 115.64 116.76 2hgu s THR 95 Ca 0.10 -1.26 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 2hgu s THR 95 Cb 0.04 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.74 2hgu s THR 95 CO 0.07 -0.00 -0.00 -0.60 -0.69 0.00 0.00 174.62 173.40 2hgu s ARG 96 N -2.64 0.73 -0.29 4.92 3.52 0.10 -4.71 118.95 120.58 2hgu s ARG 96 Ca 0.26 -0.05 -0.08 0.00 -0.13 0.00 0.00 55.73 55.73 2hgu s ARG 96 Cb -0.10 -1.29 -0.01 0.00 -1.56 0.00 0.00 34.95 31.99 2hgu s ARG 96 CO 0.18 -0.37 0.12 0.08 -0.81 0.00 0.00 175.30 174.50 2hgu s VAL 97 N 1.92 4.39 -0.12 7.11 1.01 -1.26 -0.68 120.40 132.77 2hgu s VAL 97 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2hgu s VAL 97 Cb -0.13 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.07 2hgu s VAL 97 CO -0.06 0.13 -0.10 -0.76 0.00 0.00 0.00 175.10 174.31 2hgu s LEU 98 N 1.59 1.36 -0.11 3.92 1.43 0.34 -4.99 118.68 122.22 2hgu s LEU 98 Ca 0.04 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 2hgu s LEU 98 Cb -0.17 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 2hgu s LEU 98 CO 0.05 -0.09 1.17 -0.54 0.23 0.00 0.00 176.35 177.17 2hgu s LYS 99 N 1.53 4.33 0.46 1.70 3.01 -1.26 -0.18 119.74 129.33 2hgu s LYS 99 Ca 0.03 1.60 -0.08 0.00 -1.01 0.00 0.00 55.97 56.50 2hgu s LYS 99 Cb -0.13 -3.61 0.11 0.00 -1.01 0.00 0.00 37.83 33.19 2hgu s LYS 99 CO -0.07 -0.50 0.51 1.28 0.51 0.00 0.00 175.35 177.07 2hgu n LEU 100 N 5.60 0.00 0.00 3.17 7.99 -0.15 -4.93 117.00 128.69 2hgu n LEU 100 Ca 0.11 -0.55 0.00 0.00 -0.01 0.00 0.00 56.01 55.56 2hgu n LEU 100 Cb 0.46 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 2hgu n LEU 100 CO 0.55 -1.18 0.13 0.00 -1.51 0.00 0.00 177.39 175.37 2hgu n ALA 101 N -3.56 -0.00 -1.97 -1.18 0.00 -1.26 -4.86 120.51 107.67 2hgu n ALA 101 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 2hgu n ALA 101 Cb 0.24 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.72 2hgu n ALA 101 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hgu n GLU 102 N -0.52 0.26 -4.42 0.00 4.07 -1.26 -4.89 120.64 113.87 2hgu n GLU 102 Ca 0.00 -0.50 -0.23 0.00 -0.06 0.00 0.00 57.16 56.38 2hgu n GLU 102 Cb 0.00 -0.17 -0.13 0.00 -0.06 0.00 0.00 31.44 31.07 2hgu n GLU 102 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 2hgu s ARG 103 N -3.11 1.13 0.90 5.31 1.70 -1.24 -1.88 118.95 121.75 2hgu s ARG 103 Ca 0.14 -0.94 -0.12 0.00 -0.47 0.00 0.00 55.73 54.34 2hgu s ARG 103 Cb -0.01 -1.24 0.10 0.00 -0.57 0.00 0.00 34.95 33.24 2hgu s ARG 103 CO 0.09 0.30 0.92 -2.13 -1.08 0.00 0.00 175.30 173.40 2hgu n ARG 104 N 1.63 -0.29 -1.90 3.89 0.63 -0.14 -4.64 116.66 115.83 2hgu n ARG 104 Ca -0.18 -0.02 -0.33 0.00 -0.92 0.00 0.00 57.85 56.39 2hgu n ARG 104 Cb 0.54 -2.22 0.03 0.00 0.45 0.00 0.00 32.46 31.27 2hgu n ARG 104 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2hgu s ARG 105 N -4.20 2.97 0.00 -0.14 6.06 -1.26 -0.87 118.95 121.52 2hgu s ARG 105 Ca 0.65 1.43 0.00 0.00 -2.50 0.00 0.00 55.73 55.31 2hgu s ARG 105 Cb -0.24 -1.97 0.00 0.00 0.06 0.00 0.00 34.95 32.80 2hgu s ARG 105 CO 0.60 -1.12 0.00 0.41 -2.50 0.00 0.00 175.30 172.69 2hgu n GLY 106 N -0.38 0.22 0.10 8.12 0.00 -1.26 -4.03 105.19 107.96 2hgu n GLY 106 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2hgu n GLY 106 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2hgu h ASP 107 N 0.00 0.21 -1.60 1.61 -0.00 -1.97 -3.48 116.42 111.19 2hgu h ASP 107 Ca 0.00 -0.37 -0.13 0.00 -0.00 0.00 0.00 57.03 56.53 2hgu h ASP 107 Cb 0.00 -0.07 0.02 0.00 -0.00 0.00 0.00 39.33 39.28 2hgu h ASP 107 CO 0.00 1.33 -0.18 0.61 -0.00 0.00 0.00 179.24 180.99 2hgu n GLY 108 N 1.67 0.28 3.67 7.15 0.00 -0.05 -4.99 105.19 112.92 2hgu n GLY 108 Ca -0.19 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2hgu n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu s ALA 109 N -2.66 3.60 -0.32 4.61 0.00 -1.22 -4.71 121.76 121.06 2hgu s ALA 109 Ca 0.08 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.22 2hgu s ALA 109 Cb -0.03 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2hgu s ALA 109 CO 0.10 -1.00 1.79 -1.25 0.00 0.00 0.00 175.76 175.40 2hgu s PRO 110 N 2.99 3.35 0.46 0.00 0.04 -1.26 -0.97 135.00 139.62 2hgu s PRO 110 Ca 0.53 1.44 0.07 0.00 0.04 0.00 0.00 61.00 63.08 2hgu s PRO 110 Cb -0.21 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.15 2hgu s PRO 110 CO 0.16 -1.83 0.62 -0.51 0.04 0.00 0.00 177.00 175.48 2hgu s LEU 111 N 6.82 3.55 0.20 -3.56 1.43 -0.79 -1.23 118.68 125.10 2hgu s LEU 111 Ca 0.80 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2hgu s LEU 111 Cb -0.23 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2hgu s LEU 111 CO 0.34 -0.87 0.13 0.00 0.23 0.00 0.00 176.35 176.18 2hgu s ALA 112 N -2.45 1.14 -0.04 4.21 0.00 -0.02 -0.97 121.76 123.62 2hgu s ALA 112 Ca 0.56 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2hgu s ALA 112 Cb -0.10 1.37 -0.00 0.00 0.00 0.00 0.00 23.12 24.39 2hgu s ALA 112 CO 0.34 -0.59 -0.18 -1.17 0.00 0.00 0.00 175.76 174.17 2hgu s LEU 113 N -3.15 1.93 -0.03 0.00 1.98 0.74 -1.30 118.68 118.86 2hgu s LEU 113 Ca 0.38 -0.36 -0.06 0.00 -2.89 0.00 0.00 54.13 51.20 2hgu s LEU 113 Cb 0.07 -1.00 0.01 0.00 0.66 0.00 0.00 46.19 45.93 2hgu s LEU 113 CO 0.12 0.16 0.13 -0.69 -1.89 0.00 0.00 176.35 174.18 2hgu s VAL 114 N -0.01 0.04 0.34 1.68 1.01 -0.08 -0.50 120.40 122.88 2hgu s VAL 114 Ca -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2hgu s VAL 114 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2hgu s VAL 114 CO 0.02 -0.19 0.37 -1.84 0.00 0.00 0.00 175.10 173.46 2hgu n GLU 115 N 2.28 0.54 -3.05 2.72 0.00 0.14 -0.72 120.64 122.55 2hgu n GLU 115 Ca -0.17 -3.04 -0.40 0.00 0.00 0.00 0.00 57.16 53.55 2hgu n GLU 115 Cb 0.57 2.68 -0.05 0.00 0.00 0.00 0.00 31.44 34.64 2hgu n GLU 115 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 2hgu s LEU 116 N 0.00 4.29 -0.02 -1.84 2.34 0.14 -0.72 118.68 122.87 2hgu s LEU 116 Ca 0.34 1.15 -0.30 0.00 0.06 0.00 0.00 54.13 55.38 2hgu s LEU 116 Cb 0.01 -3.06 -0.06 0.00 -0.56 0.00 0.00 46.19 42.51 2hgu s LEU 116 CO 0.24 -0.14 1.59 0.54 -1.06 0.00 0.00 176.35 177.53 2hgu s VAL 117 N 0.96 3.52 0.00 1.48 0.11 0.25 -4.88 120.40 121.84 2hgu s VAL 117 Ca 0.37 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 2hgu s VAL 117 Cb -0.17 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 2hgu s VAL 117 CO 0.17 -0.04 0.39 -0.62 -3.33 0.00 0.00 175.10 171.67