#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n HIS 3 N 0.00 -0.16 -1.00 -1.55 -0.00 -1.26 -5.02 115.22 106.23 2hgj n HIS 3 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 57.72 58.57 2hgj n HIS 3 Cb 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 2hgj n HIS 3 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2hgj n LEU 4 N 1.59 0.00 0.00 0.27 4.77 -1.26 -5.09 117.00 117.28 2hgj n LEU 4 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2hgj n LEU 4 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2hgj n LEU 4 CO 0.49 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.72 2hgj n LYS 5 N 0.00 0.00 -5.22 3.23 0.00 -1.26 -4.85 118.16 110.06 2hgj n LYS 5 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.99 2hgj n LYS 5 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 34.86 2hgj n LYS 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2hgj s SER 6 N 0.00 3.05 -0.01 3.14 1.04 -1.26 -5.13 113.70 114.53 2hgj s SER 6 Ca 0.00 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 55.96 2hgj s SER 6 Cb 0.00 -1.23 -0.02 0.00 0.10 0.00 0.00 66.02 64.86 2hgj s SER 6 CO 0.00 0.18 -0.21 -0.83 0.98 0.00 0.00 173.24 173.36 2hgj s GLY 7 N 0.20 1.42 -0.22 7.32 0.00 -1.26 -4.91 107.32 109.87 2hgj s GLY 7 Ca -0.14 -1.10 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 2hgj s GLY 7 CO 0.07 -0.93 0.14 -2.13 0.00 0.00 0.00 173.10 170.25 2hgj n ARG 8 N 2.17 -3.82 -2.83 2.90 0.63 -1.26 -4.96 116.66 109.50 2hgj n ARG 8 Ca -0.16 2.97 -0.43 0.00 -0.92 0.00 0.00 57.85 59.31 2hgj n ARG 8 Cb 0.52 -4.87 -0.04 0.00 0.45 0.00 0.00 32.46 28.52 2hgj n ARG 8 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2hgj s LYS 9 N -1.04 3.48 0.02 -0.14 -0.14 -1.26 -5.05 119.74 115.61 2hgj s LYS 9 Ca -0.16 0.05 0.03 0.00 -1.36 0.00 0.00 55.97 54.54 2hgj s LYS 9 Cb 0.01 -3.96 -0.02 0.00 -1.68 0.00 0.00 37.83 32.19 2hgj s LYS 9 CO 0.73 -1.29 -0.11 -0.51 -0.76 0.00 0.00 175.35 173.41 2hgj s LEU 10 N 3.80 2.12 0.43 3.17 1.43 -1.26 -4.97 118.68 123.40 2hgj s LEU 10 Ca 0.35 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 2hgj s LEU 10 Cb -0.11 -0.46 -0.06 0.00 0.03 0.00 0.00 46.19 45.59 2hgj s LEU 10 CO 0.25 0.02 0.06 0.21 0.23 0.00 0.00 176.35 177.12 2hgj s ASN 11 N -0.83 4.07 0.00 2.29 3.84 -1.26 -4.98 114.94 118.08 2hgj s ASN 11 Ca 0.00 -1.35 0.00 0.00 0.21 0.00 0.00 52.86 51.73 2hgj s ASN 11 Cb -0.06 -0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.40 2hgj s ASN 11 CO 0.00 -0.56 0.00 0.54 -2.79 0.00 0.00 177.10 174.29 2hgj n ARG 12 N -1.11 0.00 -3.63 0.43 1.74 -1.26 -4.57 116.66 108.26 2hgj n ARG 12 Ca -0.06 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.95 2hgj n ARG 12 Cb 0.66 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.04 2hgj n ARG 12 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2hgj s HIS 13 N 0.00 -0.29 0.23 -1.55 5.65 -1.26 -5.03 115.29 113.04 2hgj s HIS 13 Ca 0.00 0.67 -0.12 0.00 0.25 0.00 0.00 55.06 55.86 2hgj s HIS 13 Cb 0.00 0.42 0.31 0.00 -1.18 0.00 0.00 32.58 32.13 2hgj s HIS 13 CO 0.00 -0.17 1.60 0.66 -0.65 0.00 0.00 174.74 176.18 2hgj h SER 14 N 3.42 -0.76 -0.43 9.88 4.64 -1.98 0.11 113.55 128.43 2hgj h SER 14 Ca -0.24 0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2hgj h SER 14 Cb 1.18 0.49 -0.03 0.00 -0.31 0.00 0.00 62.40 63.73 2hgj h SER 14 CO 0.17 -0.26 0.24 0.77 -0.87 0.00 0.00 176.83 176.88 2hgj h SER 15 N -0.01 0.36 0.66 4.97 4.64 -1.98 -0.55 113.55 121.64 2hgj h SER 15 Ca 0.36 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 2hgj h SER 15 Cb 0.56 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2hgj h SER 15 CO -0.79 0.26 -0.43 0.45 -0.87 0.00 0.00 176.83 175.45 2hgj h HIS 16 N 0.47 -1.17 -0.32 4.77 -0.00 -1.50 -0.30 115.15 117.11 2hgj h HIS 16 Ca 0.18 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 2hgj h HIS 16 Cb 0.06 0.42 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 2hgj h HIS 16 CO -0.09 -0.64 -0.19 2.89 -0.00 0.00 0.00 177.93 179.91 2hgj n ARG 17 N -5.15 -0.14 -0.25 2.45 1.85 0.22 0.13 116.66 115.78 2hgj n ARG 17 Ca -0.13 0.96 0.05 0.00 -1.00 0.00 0.00 57.85 57.73 2hgj n ARG 17 Cb 0.44 -1.42 0.18 0.00 -1.05 0.00 0.00 32.46 30.60 2hgj n ARG 17 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2hgj h LEU 18 N 0.00 0.19 -0.51 2.89 -0.00 -1.05 0.39 115.31 117.22 2hgj h LEU 18 Ca 0.05 0.12 0.10 0.00 -0.00 0.00 0.00 57.88 58.15 2hgj h LEU 18 Cb 0.13 0.12 -0.10 0.00 -0.00 0.00 0.00 40.66 40.81 2hgj h LEU 18 CO -0.30 0.06 -0.23 0.00 -0.00 0.00 0.00 178.44 177.97 2hgj h ALA 19 N 1.55 0.13 0.30 1.53 0.00 0.30 -0.55 119.26 122.51 2hgj h ALA 19 Ca 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2hgj h ALA 19 Cb 0.63 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2hgj h ALA 19 CO -0.43 -0.57 -0.15 1.25 0.00 0.00 0.00 179.25 179.36 2hgj h LEU 20 N -0.12 -0.34 -0.61 0.00 7.12 0.20 -0.54 115.31 121.02 2hgj h LEU 20 Ca 0.23 0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.35 2hgj h LEU 20 Cb 0.48 0.09 -0.10 0.00 -0.53 0.00 0.00 40.66 40.60 2hgj h LEU 20 CO -0.58 -0.21 -0.23 -1.22 -0.13 0.00 0.00 178.44 176.07 2hgj n TYR 21 N -3.27 0.05 0.00 1.25 0.53 0.15 -0.44 117.16 115.42 2hgj n TYR 21 Ca -0.05 0.75 0.00 0.00 -1.02 0.00 0.00 57.90 57.58 2hgj n TYR 21 Cb 0.16 -0.75 0.00 0.00 -1.03 0.00 0.00 39.34 37.73 2hgj n TYR 21 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2hgj n ARG 22 N -4.91 0.00 -0.27 -0.72 1.74 -0.23 -0.65 116.66 111.62 2hgj n ARG 22 Ca 0.07 0.12 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 2hgj n ARG 22 Cb 0.25 -1.08 0.11 0.00 -1.02 0.00 0.00 32.46 30.72 2hgj n ARG 22 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2hgj n ASN 23 N -0.79 -0.27 -0.03 0.55 2.85 0.42 0.13 115.26 118.13 2hgj n ASN 23 Ca 0.00 1.30 -0.13 0.00 -0.11 0.00 0.00 54.58 55.64 2hgj n ASN 23 Cb 0.00 -0.40 -0.09 0.00 1.24 0.00 0.00 39.78 40.53 2hgj n ASN 23 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2hgj h GLN 24 N 0.00 0.10 -1.00 1.20 4.20 -1.10 0.01 115.11 118.52 2hgj h GLN 24 Ca 0.37 -0.05 0.20 0.00 0.06 0.00 0.00 58.65 59.23 2hgj h GLN 24 Cb 0.56 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.15 2hgj h GLN 24 CO -0.78 0.58 -0.23 0.00 -0.67 0.00 0.00 178.83 177.73 2hgj h ALA 25 N 0.52 0.69 0.35 3.87 0.00 0.35 -0.41 119.26 124.63 2hgj h ALA 25 Ca 0.01 0.39 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2hgj h ALA 25 Cb 0.56 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2hgj h ALA 25 CO 0.01 -0.39 -0.17 0.87 0.00 0.00 0.00 179.25 179.57 2hgj h LYS 26 N 0.00 -0.46 -0.95 0.00 1.57 -0.70 -0.92 116.57 115.11 2hgj h LYS 26 Ca 0.49 0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.57 2hgj h LYS 26 Cb 0.76 0.10 -0.17 0.00 0.08 0.00 0.00 32.23 33.01 2hgj h LYS 26 CO -1.02 -0.30 0.11 0.77 -0.57 0.00 0.00 179.45 178.44 2hgj h SER 27 N -0.48 -0.31 0.73 0.86 0.02 -0.17 0.15 113.55 114.35 2hgj h SER 27 Ca -0.05 0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2hgj h SER 27 Cb 0.36 0.42 0.01 0.00 0.14 0.00 0.00 62.40 63.33 2hgj h SER 27 CO 0.08 -0.31 -0.35 0.25 -1.14 0.00 0.00 176.83 175.36 2hgj h LEU 28 N 0.05 -0.83 -1.35 5.07 7.12 -1.07 -0.29 115.31 124.02 2hgj h LEU 28 Ca 0.60 0.03 0.45 0.00 0.13 0.00 0.00 57.88 59.09 2hgj h LEU 28 Cb 1.27 0.21 -0.12 0.00 -0.53 0.00 0.00 40.66 41.50 2hgj h LEU 28 CO -0.84 -0.56 0.89 0.18 -0.13 0.00 0.00 178.44 177.97 2hgj n LEU 29 N -4.77 0.16 0.14 2.25 4.77 0.35 0.15 117.00 120.05 2hgj n LEU 29 Ca -0.12 1.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.93 2hgj n LEU 29 Cb 0.38 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 2hgj n LEU 29 CO 0.29 -1.30 0.65 0.74 -1.33 0.00 0.00 177.39 176.43 2hgj h THR 30 N 0.00 0.80 -0.16 -5.08 2.02 0.54 -3.36 112.91 107.67 2hgj h THR 30 Ca 0.81 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.55 2hgj h THR 30 Cb 2.73 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 2hgj h THR 30 CO -0.36 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.03 2hgj n HIS 31 N -5.14 0.18 0.00 3.16 8.25 0.39 -4.98 115.22 117.09 2hgj n HIS 31 Ca -0.09 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2hgj n HIS 31 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2hgj n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hgj n GLY 32 N 1.37 1.50 2.97 -1.41 0.00 0.30 -4.78 105.19 105.15 2hgj n GLY 32 Ca 0.16 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 2hgj n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hgj s ARG 33 N 0.00 0.86 0.13 1.61 1.70 -1.26 0.14 118.95 122.13 2hgj s ARG 33 Ca 0.00 -0.25 0.05 0.00 -0.47 0.00 0.00 55.73 55.06 2hgj s ARG 33 Cb 0.00 -0.82 -0.04 0.00 -0.57 0.00 0.00 34.95 33.52 2hgj s ARG 33 CO 0.00 0.08 -0.12 0.42 -1.08 0.00 0.00 175.30 174.60 2hgj s ILE 34 N 0.28 1.21 -0.19 4.99 -1.09 0.06 -4.97 121.20 121.49 2hgj s ILE 34 Ca -0.04 -1.86 -0.02 0.00 -2.23 0.00 0.00 60.65 56.50 2hgj s ILE 34 Cb -0.09 -1.64 -0.00 0.00 -1.58 0.00 0.00 42.46 39.15 2hgj s ILE 34 CO 0.00 -0.58 -0.10 0.42 -1.23 0.00 0.00 174.94 173.45 2hgj s THR 35 N -2.70 2.99 0.00 2.92 -4.23 -1.26 -1.22 115.64 112.14 2hgj s THR 35 Ca 0.12 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2hgj s THR 35 Cb -0.01 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2hgj s THR 35 CO 0.02 0.47 0.00 0.35 -0.54 0.00 0.00 174.62 174.92 2hgj n THR 36 N 4.51 0.00 -3.59 3.99 -2.24 -0.41 -5.00 114.28 111.54 2hgj n THR 36 Ca -0.19 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 2hgj n THR 36 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 2hgj n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hgj s THR 37 N -2.15 5.13 0.00 4.28 -4.23 -1.26 -0.92 115.64 116.48 2hgj s THR 37 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 2hgj s THR 37 Cb 0.00 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2hgj s THR 37 CO 0.00 -0.10 0.07 0.52 -0.54 0.00 0.00 174.62 174.57 2hgj n VAL 38 N -0.33 0.00 0.08 2.29 0.31 -0.44 -0.31 118.33 119.93 2hgj n VAL 38 Ca -0.03 0.15 0.02 0.00 -0.01 0.00 0.00 64.34 64.48 2hgj n VAL 38 Cb 0.53 -0.24 0.38 0.00 -0.91 0.00 0.00 33.84 33.60 2hgj n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2hgj h PRO 39 N 0.00 0.33 -0.64 5.55 0.11 -1.96 -0.76 132.00 134.63 2hgj h PRO 39 Ca 0.00 -0.07 0.19 0.00 0.11 0.00 0.00 66.00 66.24 2hgj h PRO 39 Cb 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 30.94 2hgj h PRO 39 CO 0.00 0.41 0.07 1.63 -0.21 0.00 0.00 178.00 179.90 2hgj n LYS 40 N -4.30 -0.05 0.18 1.05 5.02 0.57 0.24 118.16 120.87 2hgj n LYS 40 Ca 0.00 0.95 -0.10 0.00 -2.02 0.00 0.00 58.31 57.14 2hgj n LYS 40 Cb 0.24 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 2hgj n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hgj h ALA 41 N 1.29 -0.52 -0.76 7.82 0.00 -0.72 -0.82 119.26 125.55 2hgj h ALA 41 Ca 0.42 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2hgj h ALA 41 Cb 0.91 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2hgj h ALA 41 CO -0.59 -0.52 -0.45 1.63 0.00 0.00 0.00 179.25 179.32 2hgj n LYS 42 N -5.13 -0.33 -0.03 0.00 4.76 0.65 -0.74 118.16 117.34 2hgj n LYS 42 Ca -0.08 1.15 -0.13 0.00 -2.87 0.00 0.00 58.31 56.38 2hgj n LYS 42 Cb 0.25 -1.69 -0.09 0.00 -1.84 0.00 0.00 35.03 31.66 2hgj n LYS 42 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2hgj h GLU 43 N 0.00 0.16 -1.10 1.97 4.57 -1.24 -2.09 114.58 116.84 2hgj h GLU 43 Ca 0.12 -0.09 0.32 0.00 -1.18 0.00 0.00 59.36 58.53 2hgj h GLU 43 Cb 0.31 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 2hgj h GLU 43 CO -0.71 0.64 0.79 1.25 -1.18 0.00 0.00 179.01 179.80 2hgj h LEU 44 N -0.31 0.03 0.00 1.64 7.12 -0.39 0.41 115.31 123.81 2hgj h LEU 44 Ca 0.01 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2hgj h LEU 44 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 2hgj h LEU 44 CO 0.02 0.01 0.00 -1.14 -0.13 0.00 0.00 178.44 177.19 2hgj n ARG 45 N -4.23 0.00 -0.23 1.25 0.63 0.08 -0.86 116.66 113.30 2hgj n ARG 45 Ca 0.24 0.23 -0.01 0.00 -0.92 0.00 0.00 57.85 57.39 2hgj n ARG 45 Cb 1.15 -1.19 0.02 0.00 0.45 0.00 0.00 32.46 32.89 2hgj n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hgj n GLY 46 N -0.50 -1.25 0.13 5.14 0.00 0.13 -0.80 105.19 108.05 2hgj n GLY 46 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 2hgj n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hgj h PHE 47 N 0.00 -0.21 0.00 1.61 3.57 -1.30 -1.73 116.94 118.89 2hgj h PHE 47 Ca 0.21 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2hgj h PHE 47 Cb 0.36 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2hgj h PHE 47 CO -0.53 0.14 -0.27 0.28 -2.23 0.00 0.00 178.31 175.69 2hgj h VAL 48 N -0.58 1.05 0.00 1.41 2.07 -0.59 -0.62 116.25 118.98 2hgj h VAL 48 Ca -0.02 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2hgj h VAL 48 Cb 0.44 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2hgj h VAL 48 CO 0.04 0.26 0.00 0.47 0.02 0.00 0.00 177.57 178.36 2hgj n ASP 49 N -4.00 0.00 -0.15 0.57 9.92 0.02 -0.91 116.55 122.00 2hgj n ASP 49 Ca -0.02 0.97 -0.02 0.00 -0.53 0.00 0.00 54.79 55.19 2hgj n ASP 49 Cb 0.34 -0.47 0.06 0.00 -0.64 0.00 0.00 41.12 40.41 2hgj n ASP 49 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2hgj h HIS 50 N 0.00 -0.01 -0.54 1.24 -0.00 -1.13 -0.91 115.15 113.81 2hgj h HIS 50 Ca 0.00 0.04 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 2hgj h HIS 50 Cb 0.00 0.08 -0.11 0.00 -0.00 0.00 0.00 27.41 27.38 2hgj h HIS 50 CO -0.14 -0.10 -0.39 1.25 -0.00 0.00 0.00 177.93 178.56 2hgj h LEU 51 N 0.13 -1.32 -1.43 0.26 6.46 -0.96 0.55 115.31 119.00 2hgj h LEU 51 Ca 0.25 0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 58.21 2hgj h LEU 51 Cb 0.36 0.62 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 2hgj h LEU 51 CO -0.40 -0.33 0.12 -0.29 -0.62 0.00 0.00 178.44 176.93 2hgj h ILE 52 N -0.22 1.15 -0.83 4.05 -0.00 -0.71 -0.71 117.51 120.23 2hgj h ILE 52 Ca 0.19 -0.49 0.12 0.00 -0.00 0.00 0.00 64.86 64.69 2hgj h ILE 52 Cb 0.56 0.75 -0.08 0.00 -0.00 0.00 0.00 36.82 38.05 2hgj h ILE 52 CO -0.65 0.18 0.45 -0.74 -0.00 0.00 0.00 178.15 177.39 2hgj h HIS 53 N 0.50 0.79 -0.19 2.19 2.76 0.15 -0.21 115.15 121.15 2hgj h HIS 53 Ca 0.12 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.13 2hgj h HIS 53 Cb 0.14 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2hgj h HIS 53 CO 0.01 0.26 -0.65 -0.07 -1.30 0.00 0.00 177.93 176.17 2hgj h LEU 54 N 0.69 0.80 -0.90 0.26 4.07 0.04 -0.04 115.31 120.24 2hgj h LEU 54 Ca 0.43 -0.48 0.14 0.00 0.08 0.00 0.00 57.88 58.05 2hgj h LEU 54 Cb 0.51 -0.23 -0.15 0.00 1.08 0.00 0.00 40.66 41.87 2hgj h LEU 54 CO -0.31 1.25 -0.34 0.00 -1.08 0.00 0.00 178.44 177.96 2hgj n ALA 55 N -2.56 -0.08 0.20 1.53 0.00 -0.40 -0.63 120.51 118.58 2hgj n ALA 55 Ca -0.05 0.91 -0.11 0.00 0.00 0.00 0.00 53.44 54.19 2hgj n ALA 55 Cb 0.68 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 2hgj n ALA 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2hgj h LYS 56 N 0.00 -0.54 0.00 0.00 2.10 -1.10 -3.27 116.57 113.76 2hgj h LYS 56 Ca 0.32 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 2hgj h LYS 56 Cb 0.55 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2hgj h LYS 56 CO -0.90 -0.29 0.00 -2.13 -2.00 0.00 0.00 179.45 174.14 2hgj n ARG 57 N -5.16 0.00 -0.67 0.07 0.63 0.20 -4.70 116.66 107.04 2hgj n ARG 57 Ca -0.08 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.87 2hgj n ARG 57 Cb 0.26 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.16 2hgj n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hgj n GLY 58 N -0.86 -3.23 0.00 5.14 0.00 -0.35 -4.98 105.19 100.91 2hgj n GLY 58 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2hgj n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hgj n ASP 59 N -2.31 0.00 -0.34 1.61 5.75 -1.26 -4.27 116.55 115.72 2hgj n ASP 59 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.86 2hgj n ASP 59 Cb 0.24 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.60 2hgj n ASP 59 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2hgj h LEU 60 N 0.00 0.75 0.00 -2.12 3.38 -1.99 -0.89 115.31 114.45 2hgj h LEU 60 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2hgj h LEU 60 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2hgj h LEU 60 CO 0.00 0.32 0.00 1.57 0.09 0.00 0.00 178.44 180.42 2hgj n HIS 61 N -4.76 0.00 -0.15 1.13 -0.00 -1.26 -1.11 115.22 109.07 2hgj n HIS 61 Ca 0.20 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.42 2hgj n HIS 61 Cb 0.47 -0.13 0.09 0.00 -0.12 0.00 0.00 29.99 30.30 2hgj n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hgj n ALA 62 N -0.89 0.15 0.01 1.57 0.00 -1.21 0.16 120.51 120.30 2hgj n ALA 62 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.90 2hgj n ALA 62 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 2hgj n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj h ARG 63 N 0.00 -0.02 -0.97 0.00 3.08 -1.23 -0.67 114.38 114.56 2hgj h ARG 63 Ca 0.22 0.00 0.34 0.00 0.07 0.00 0.00 59.98 60.62 2hgj h ARG 63 Cb 0.40 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.27 2hgj h ARG 63 CO -0.42 -0.01 0.29 2.89 -1.07 0.00 0.00 179.97 181.64 2hgj n ARG 64 N -2.32 -0.07 0.45 0.04 0.00 0.43 -0.03 116.66 115.16 2hgj n ARG 64 Ca -0.00 1.40 -0.18 0.00 -0.00 0.00 0.00 57.85 59.07 2hgj n ARG 64 Cb 0.01 -2.37 -0.08 0.00 -0.00 0.00 0.00 32.46 30.01 2hgj n ARG 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2hgj h LEU 65 N 0.00 -0.97 -1.82 2.89 6.46 -0.58 -0.42 115.31 120.87 2hgj h LEU 65 Ca 0.72 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.65 2hgj h LEU 65 Cb 1.73 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 41.88 2hgj h LEU 65 CO -0.83 -0.64 0.42 0.58 -0.62 0.00 0.00 178.44 177.35 2hgj h VAL 66 N -1.25 0.78 -0.14 1.05 2.07 0.11 0.35 116.25 119.22 2hgj h VAL 66 Ca -0.12 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2hgj h VAL 66 Cb 0.88 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2hgj h VAL 66 CO 0.19 0.03 -0.07 0.25 0.02 0.00 0.00 177.57 178.00 2hgj h LEU 67 N 0.18 0.29 -0.82 2.57 7.12 -0.88 0.04 115.31 123.81 2hgj h LEU 67 Ca 0.29 -0.41 0.33 0.00 0.13 0.00 0.00 57.88 58.22 2hgj h LEU 67 Cb 0.89 -0.08 -0.15 0.00 -0.53 0.00 0.00 40.66 40.79 2hgj h LEU 67 CO -0.05 0.64 0.40 -1.14 -0.13 0.00 0.00 178.44 178.16 2hgj n ARG 68 N -4.67 -0.05 0.01 1.25 0.63 0.11 -0.79 116.66 113.16 2hgj n ARG 68 Ca -0.06 1.14 -0.01 0.00 -0.92 0.00 0.00 57.85 58.01 2hgj n ARG 68 Cb 0.29 -2.03 -0.00 0.00 0.45 0.00 0.00 32.46 31.17 2hgj n ARG 68 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2hgj h ASP 69 N 0.00 -0.03 -0.22 6.15 3.32 -0.10 -3.41 116.42 122.13 2hgj h ASP 69 Ca 0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.73 2hgj h ASP 69 Cb 1.76 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.32 2hgj h ASP 69 CO -0.65 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.06 2hgj n LEU 70 N -2.24 2.07 -4.06 1.55 4.77 -0.11 -5.00 117.00 113.97 2hgj n LEU 70 Ca -0.00 -0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 2hgj n LEU 70 Cb 0.01 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2hgj n LEU 70 CO 0.01 0.44 -0.18 0.00 -1.33 0.00 0.00 177.39 176.33 2hgj n GLN 71 N 0.59 -0.36 -3.22 3.23 6.02 0.03 -4.97 117.38 118.70 2hgj n GLN 71 Ca 0.17 -0.01 0.04 0.00 -0.01 0.00 0.00 57.00 57.19 2hgj n GLN 71 Cb 0.39 -2.17 -0.03 0.00 1.02 0.00 0.00 30.24 29.45 2hgj n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2hgj s ASP 72 N -3.76 -0.43 0.04 1.08 2.15 -1.26 -5.07 116.67 109.42 2hgj s ASP 72 Ca 0.39 0.39 -0.14 0.00 0.43 0.00 0.00 52.55 53.62 2hgj s ASP 72 Cb -0.22 1.41 -0.06 0.00 -0.30 0.00 0.00 42.92 43.75 2hgj s ASP 72 CO 0.87 -0.08 1.23 -0.37 -0.17 0.00 0.00 175.17 176.64 2hgj h VAL 73 N 5.33 0.00 0.00 1.11 -1.51 -1.97 0.33 116.25 119.54 2hgj h VAL 73 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 2hgj h VAL 73 Cb 1.15 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2hgj h VAL 73 CO -0.02 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.61 2hgj n LYS 74 N -3.65 0.00 0.35 5.19 4.01 -1.26 0.27 118.16 123.08 2hgj n LYS 74 Ca -0.04 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.62 2hgj n LYS 74 Cb 0.18 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.63 2hgj n LYS 74 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2hgj h LEU 75 N 0.00 -0.83 0.00 -0.35 3.38 -1.98 -0.75 115.31 114.78 2hgj h LEU 75 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2hgj h LEU 75 Cb 0.00 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2hgj h LEU 75 CO 0.00 -0.56 0.00 0.52 0.09 0.00 0.00 178.44 178.49 2hgj n VAL 76 N -4.54 0.00 0.18 1.22 0.31 0.78 0.28 118.33 116.55 2hgj n VAL 76 Ca -0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 2hgj n VAL 76 Cb 0.37 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.26 2hgj n VAL 76 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2hgj h ARG 77 N 0.00 -0.48 -0.55 5.55 3.08 -1.00 -0.46 114.38 120.52 2hgj h ARG 77 Ca 0.00 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.23 2hgj h ARG 77 Cb 0.00 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.06 2hgj h ARG 77 CO 0.00 -0.32 0.01 1.17 -1.07 0.00 0.00 179.97 179.76 2hgj n LYS 78 N -4.51 -0.04 0.00 0.04 3.00 0.80 -0.69 118.16 116.76 2hgj n LYS 78 Ca -0.06 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 2hgj n LYS 78 Cb 0.20 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 33.92 2hgj n LYS 78 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2hgj n LEU 79 N -4.67 0.89 -0.53 3.14 0.00 0.17 -0.93 117.00 115.06 2hgj n LEU 79 Ca 0.13 0.32 0.43 0.00 0.00 0.00 0.00 56.01 56.89 2hgj n LEU 79 Cb 0.42 0.00 0.71 0.00 0.00 0.00 0.00 43.42 44.55 2hgj n LEU 79 CO -0.04 0.00 1.28 0.33 0.00 0.00 0.00 177.39 178.95 2hgj n PHE 80 N -0.47 0.54 0.03 1.96 7.35 0.13 -1.05 117.46 125.95 2hgj n PHE 80 Ca 0.00 0.54 0.02 0.00 -0.76 0.00 0.00 57.45 57.25 2hgj n PHE 80 Cb 0.00 -0.99 -0.02 0.00 0.35 0.00 0.00 39.48 38.81 2hgj n PHE 80 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2hgj n ASP 81 N -4.52 3.33 -0.03 -2.13 5.68 -0.21 -4.34 116.55 114.34 2hgj n ASP 81 Ca 0.41 -0.13 -0.10 0.00 -0.50 0.00 0.00 54.79 54.47 2hgj n ASP 81 Cb 1.67 1.12 -0.14 0.00 -1.14 0.00 0.00 41.12 42.62 2hgj n ASP 81 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2hgj n GLU 82 N -1.50 0.65 0.00 0.11 0.00 -0.11 -4.64 120.64 115.16 2hgj n GLU 82 Ca -0.00 0.25 0.00 0.00 0.00 0.00 0.00 57.16 57.41 2hgj n GLU 82 Cb 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 29.77 2hgj n GLU 82 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2hgj n ILE 83 N -3.06 0.00 -0.17 6.31 2.08 -0.56 -4.73 119.36 119.23 2hgj n ILE 83 Ca -0.21 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.06 2hgj n ILE 83 Cb 1.06 -0.62 -0.04 0.00 -0.75 0.00 0.00 39.64 39.30 2hgj n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2hgj n ALA 84 N -2.38 -0.26 -0.10 -1.39 0.00 -0.88 0.11 120.51 115.61 2hgj n ALA 84 Ca 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 2hgj n ALA 84 Cb 0.31 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 2hgj n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2hgj h PRO 85 N 0.00 -0.17 -0.58 0.00 0.11 -1.81 0.12 132.00 129.66 2hgj h PRO 85 Ca 0.07 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.30 2hgj h PRO 85 Cb 0.17 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 31.21 2hgj h PRO 85 CO -0.38 -0.11 -0.16 0.54 -0.21 0.00 0.00 178.00 177.67 2hgj n ARG 86 N -4.12 -0.07 -0.01 1.05 1.74 0.30 0.24 116.66 115.78 2hgj n ARG 86 Ca -0.01 0.90 -0.12 0.00 -0.77 0.00 0.00 57.85 57.84 2hgj n ARG 86 Cb 0.17 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 2hgj n ARG 86 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2hgj h TYR 87 N 0.00 0.06 -0.03 -1.55 0.99 0.17 -3.43 116.97 113.18 2hgj h TYR 87 Ca 0.26 -0.01 -0.17 0.00 2.00 0.00 0.00 58.73 60.81 2hgj h TYR 87 Cb 0.41 -0.02 -0.06 0.00 1.00 0.00 0.00 36.73 38.06 2hgj h TYR 87 CO -0.46 0.35 1.32 -2.13 -0.00 0.00 0.00 178.16 177.24 2hgj n ARG 88 N -4.90 0.05 0.00 4.88 0.63 0.65 0.23 116.66 118.20 2hgj n ARG 88 Ca -0.07 -0.20 0.00 0.00 -0.92 0.00 0.00 57.85 56.66 2hgj n ARG 88 Cb 0.18 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.65 2hgj n ARG 88 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2hgj n ASP 89 N 7.31 0.00 0.00 6.15 5.68 -1.26 -4.93 116.55 129.50 2hgj n ASP 89 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 2hgj n ASP 89 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 2hgj n ASP 89 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2hgj n ARG 90 N 0.00 0.00 -2.68 0.11 5.12 0.14 -5.06 116.66 114.29 2hgj n ARG 90 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2hgj n ARG 90 Cb 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.34 2hgj n ARG 90 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2hgj n GLN 91 N 0.00 0.15 -0.16 5.56 -0.06 -1.26 -5.15 117.38 116.46 2hgj n GLN 91 Ca 0.00 -0.90 0.02 0.00 -2.00 0.00 0.00 57.00 54.12 2hgj n GLN 91 Cb 0.00 -0.06 -0.01 0.00 -4.06 0.00 0.00 30.24 26.11 2hgj n GLN 91 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2hgj n GLY 92 N 2.52 -0.74 3.23 1.69 0.00 -1.26 -4.80 105.19 105.83 2hgj n GLY 92 Ca 0.11 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 2hgj n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgj n GLY 93 N -0.49 -0.48 0.53 -0.02 0.00 -1.26 -4.74 105.19 98.72 2hgj n GLY 93 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2hgj n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgj n TYR 94 N -3.71 0.00 -3.91 1.61 0.53 -1.26 -4.65 117.16 105.77 2hgj n TYR 94 Ca -0.02 -0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.76 2hgj n TYR 94 Cb 0.54 -0.01 -0.10 0.00 -1.03 0.00 0.00 39.34 38.74 2hgj n TYR 94 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2hgj s THR 95 N -0.88 0.12 -0.21 -0.72 -4.23 -1.26 -0.71 115.64 107.74 2hgj s THR 95 Ca 0.00 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2hgj s THR 95 Cb 0.00 -0.72 0.02 0.00 1.34 0.00 0.00 72.50 73.15 2hgj s THR 95 CO 0.00 -0.52 -0.14 -0.60 -0.54 0.00 0.00 174.62 172.81 2hgj s ARG 96 N -2.17 2.91 -0.27 3.99 3.52 -0.19 -4.75 118.95 122.00 2hgj s ARG 96 Ca -0.09 -0.90 -0.07 0.00 -0.13 0.00 0.00 55.73 54.54 2hgj s ARG 96 Cb -0.04 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.59 2hgj s ARG 96 CO -0.02 -0.29 0.08 0.08 -0.81 0.00 0.00 175.30 174.33 2hgj s VAL 97 N 1.30 4.20 -0.07 7.11 1.01 -1.26 -0.78 120.40 131.91 2hgj s VAL 97 Ca 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2hgj s VAL 97 Cb -0.15 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2hgj s VAL 97 CO -0.09 0.25 0.02 -0.76 0.00 0.00 0.00 175.10 174.52 2hgj s LEU 98 N 1.58 0.51 0.36 3.92 1.43 0.26 -4.99 118.68 121.75 2hgj s LEU 98 Ca 0.05 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2hgj s LEU 98 Cb -0.16 -0.38 -0.09 0.00 0.03 0.00 0.00 46.19 45.59 2hgj s LEU 98 CO 0.03 -0.21 1.22 -0.54 0.23 0.00 0.00 176.35 177.08 2hgj s LYS 99 N 2.01 4.25 0.43 1.70 3.01 -1.26 -0.71 119.74 129.17 2hgj s LYS 99 Ca 0.05 2.01 0.07 0.00 -1.01 0.00 0.00 55.97 57.09 2hgj s LYS 99 Cb -0.12 -2.91 -0.02 0.00 -1.01 0.00 0.00 37.83 33.76 2hgj s LYS 99 CO -0.05 -0.20 0.36 -1.17 0.51 0.00 0.00 175.35 174.80 2hgj s LEU 100 N -2.06 3.27 -1.05 3.17 1.98 -0.11 -4.87 118.68 119.01 2hgj s LEU 100 Ca 0.52 -0.85 -0.11 0.00 -2.89 0.00 0.00 54.13 50.80 2hgj s LEU 100 Cb -0.35 -1.87 0.26 0.00 0.66 0.00 0.00 46.19 44.89 2hgj s LEU 100 CO 0.45 -0.70 1.05 0.00 -1.89 0.00 0.00 176.35 175.26 2hgj s ALA 101 N -2.53 4.53 0.00 5.97 0.00 -1.26 -4.66 121.76 123.81 2hgj s ALA 101 Ca 0.46 -3.68 0.00 0.00 0.00 0.00 0.00 51.96 48.74 2hgj s ALA 101 Cb -0.02 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2hgj s ALA 101 CO 0.27 -2.26 0.00 -1.91 0.00 0.00 0.00 175.76 171.85 2hgj n GLU 102 N 3.21 0.00 -4.44 0.00 4.07 -1.26 -5.10 120.64 117.13 2hgj n GLU 102 Ca 0.22 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.00 2hgj n GLU 102 Cb 0.41 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.69 2hgj n GLU 102 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 2hgj s ARG 103 N -1.37 2.51 0.84 5.31 1.70 -1.25 -1.63 118.95 125.07 2hgj s ARG 103 Ca 0.00 -0.75 -0.11 0.00 -0.47 0.00 0.00 55.73 54.40 2hgj s ARG 103 Cb 0.00 -2.48 0.10 0.00 -0.57 0.00 0.00 34.95 32.00 2hgj s ARG 103 CO 0.00 0.59 1.10 0.50 -1.08 0.00 0.00 175.30 176.41 2hgj s ARG 104 N -1.50 1.66 0.67 3.89 3.52 0.16 -4.71 118.95 122.63 2hgj s ARG 104 Ca 0.18 1.15 -0.16 0.00 -0.13 0.00 0.00 55.73 56.77 2hgj s ARG 104 Cb -0.11 -1.83 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 2hgj s ARG 104 CO 0.08 -2.06 1.15 0.50 -0.81 0.00 0.00 175.30 174.16 2hgj s ARG 105 N -4.84 2.66 0.00 5.12 6.06 -1.26 -0.89 118.95 125.80 2hgj s ARG 105 Ca 0.63 1.55 0.00 0.00 -2.50 0.00 0.00 55.73 55.41 2hgj s ARG 105 Cb -0.19 -1.92 0.00 0.00 0.06 0.00 0.00 34.95 32.90 2hgj s ARG 105 CO 0.57 -1.38 0.00 0.41 -2.50 0.00 0.00 175.30 172.39 2hgj n GLY 106 N -0.12 0.46 0.33 8.12 0.00 -1.26 -4.33 105.19 108.39 2hgj n GLY 106 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2hgj n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hgj n ASP 107 N 0.09 1.58 0.00 1.61 3.85 -1.24 -5.03 116.55 117.41 2hgj n ASP 107 Ca 0.00 0.21 0.00 0.00 -0.71 0.00 0.00 54.79 54.29 2hgj n ASP 107 Cb 0.00 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.20 2hgj n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hgj n GLY 108 N 1.82 0.91 3.63 6.12 0.00 -0.07 -5.00 105.19 112.60 2hgj n GLY 108 Ca -0.40 -0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.00 2hgj n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgj n ALA 109 N -1.54 0.99 -2.43 4.61 0.00 -1.22 -4.51 120.51 116.40 2hgj n ALA 109 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2hgj n ALA 109 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 16.87 2hgj n ALA 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2hgj s PRO 110 N 4.74 4.33 0.00 0.00 0.04 -1.26 -0.66 135.00 142.19 2hgj s PRO 110 Ca 0.97 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2hgj s PRO 110 Cb -0.69 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2hgj s PRO 110 CO 0.50 -0.48 0.00 1.28 0.04 0.00 0.00 177.00 178.34 2hgj n LEU 111 N 5.32 0.00 0.00 -3.56 4.77 -0.64 -1.32 117.00 121.56 2hgj n LEU 111 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2hgj n LEU 111 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2hgj n LEU 111 CO 0.56 -0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.59 2hgj n ALA 112 N -3.00 0.00 -2.65 -1.18 0.00 -0.10 -0.94 120.51 112.64 2hgj n ALA 112 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2hgj n ALA 112 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2hgj n ALA 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2hgj s LEU 113 N 0.00 2.32 -0.02 0.00 1.98 0.11 -1.29 118.68 121.78 2hgj s LEU 113 Ca 0.00 -0.68 -0.08 0.00 -2.89 0.00 0.00 54.13 50.48 2hgj s LEU 113 Cb 0.00 -0.37 0.01 0.00 0.66 0.00 0.00 46.19 46.49 2hgj s LEU 113 CO 0.00 -0.17 0.17 -0.69 -1.89 0.00 0.00 176.35 173.77 2hgj s VAL 114 N -1.75 0.06 0.23 1.68 1.01 -0.36 -0.57 120.40 120.70 2hgj s VAL 114 Ca -0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 2hgj s VAL 114 Cb -0.07 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2hgj s VAL 114 CO 0.01 -0.26 0.55 -1.83 0.00 0.00 0.00 175.10 173.57 2hgj s GLU 115 N -0.97 1.52 0.17 2.72 1.03 0.04 -0.76 118.70 122.44 2hgj s GLU 115 Ca -0.11 -1.02 -0.33 0.00 0.03 0.00 0.00 54.97 53.54 2hgj s GLU 115 Cb -0.06 0.52 -0.16 0.00 -0.80 0.00 0.00 34.13 33.63 2hgj s GLU 115 CO 0.02 -0.65 1.11 1.47 -1.33 0.00 0.00 175.26 175.88 2hgj n LEU 116 N -0.38 1.26 -4.47 1.83 -0.00 0.37 -1.02 117.00 114.59 2hgj n LEU 116 Ca -0.06 1.14 -0.43 0.00 -0.00 0.00 0.00 56.01 56.66 2hgj n LEU 116 Cb 0.62 -1.18 -0.03 0.00 -0.00 0.00 0.00 43.42 42.82 2hgj n LEU 116 CO 0.19 -1.45 0.96 0.54 -0.00 0.00 0.00 177.39 177.62 2hgj s VAL 117 N -0.26 4.45 -2.07 1.47 0.11 0.11 -4.64 120.40 119.57 2hgj s VAL 117 Ca 0.73 -0.95 0.31 0.00 -2.93 0.00 0.00 61.98 59.14 2hgj s VAL 117 Cb -0.88 -4.78 0.86 0.00 -1.53 0.00 0.00 36.38 30.05 2hgj s VAL 117 CO 0.53 -1.55 2.17 -0.62 -3.33 0.00 0.00 175.10 172.29