#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n ALA 4 N 0.00 -1.15 -3.58 2.41 0.00 -1.26 -4.95 120.51 111.99 2hgj n ALA 4 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2hgj n ALA 4 Cb 0.00 -4.50 -0.08 0.00 0.00 0.00 0.00 19.45 14.87 2hgj n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2hgj n TYR 5 N -4.68 3.51 0.00 0.00 0.18 -1.26 -4.98 117.16 109.94 2hgj n TYR 5 Ca -0.04 -4.09 0.00 0.00 1.88 0.00 0.00 57.90 55.65 2hgj n TYR 5 Cb 0.58 -0.72 0.00 0.00 -0.38 0.00 0.00 39.34 38.81 2hgj n TYR 5 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2hgj n ASP 6 N 1.46 0.00 -4.08 9.48 5.75 -1.26 -4.56 116.55 123.34 2hgj n ASP 6 Ca 0.25 0.00 -0.58 0.00 -0.01 0.00 0.00 54.79 54.45 2hgj n ASP 6 Cb 0.38 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.37 2hgj n ASP 6 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2hgj n VAL 7 N -0.68 0.00 -2.07 2.12 3.14 -1.26 -4.82 118.33 114.76 2hgj n VAL 7 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 2hgj n VAL 7 Cb 0.00 -0.44 -0.04 0.00 -1.06 0.00 0.00 33.84 32.30 2hgj n VAL 7 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2hgj n ILE 8 N 4.21 0.00 -4.06 1.55 -5.35 -1.26 -5.02 119.36 109.43 2hgj n ILE 8 Ca 0.34 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.58 2hgj n ILE 8 Cb -0.05 0.46 -0.06 0.00 -1.74 0.00 0.00 39.64 38.25 2hgj n ILE 8 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hgj s LEU 9 N 0.00 0.63 -0.16 7.28 1.02 -1.26 -1.09 118.68 125.10 2hgj s LEU 9 Ca 0.05 -1.13 -0.04 0.00 0.02 0.00 0.00 54.13 53.03 2hgj s LEU 9 Cb 0.05 1.36 0.08 0.00 0.02 0.00 0.00 46.19 47.70 2hgj s LEU 9 CO -0.02 -1.08 0.25 0.00 0.02 0.00 0.00 176.35 175.51 2hgj s ALA 10 N -3.93 -0.48 0.51 4.21 0.00 0.22 -4.95 121.76 117.35 2hgj s ALA 10 Ca 0.28 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.74 2hgj s ALA 10 Cb 0.01 -1.14 -0.11 0.00 0.00 0.00 0.00 23.12 21.88 2hgj s ALA 10 CO 0.11 -0.85 0.45 -2.30 0.00 0.00 0.00 175.76 173.17 2hgj n PRO 11 N 5.34 0.48 -2.67 0.00 -0.02 -1.26 -0.82 135.00 136.04 2hgj n PRO 11 Ca -0.06 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2hgj n PRO 11 Cb 0.50 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 2hgj n PRO 11 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hgj s VAL 12 N -1.67 4.14 -0.78 -1.45 1.01 -0.37 -4.44 120.40 116.83 2hgj s VAL 12 Ca 0.65 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2hgj s VAL 12 Cb -0.50 -4.95 0.00 0.00 0.00 0.00 0.00 36.38 30.93 2hgj s VAL 12 CO 0.57 -1.79 0.54 0.18 0.00 0.00 0.00 175.10 174.60 2hgj n LEU 13 N 8.25 1.27 -4.64 3.92 4.77 -1.26 -4.74 117.00 124.57 2hgj n LEU 13 Ca 0.25 -0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 55.20 2hgj n LEU 13 Cb 0.50 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2hgj n LEU 13 CO 0.62 0.27 0.26 -0.94 -1.33 0.00 0.00 177.39 176.28 2hgj s SER 14 N 0.13 6.52 0.00 -1.43 1.04 -1.26 -5.00 113.70 113.70 2hgj s SER 14 Ca 0.00 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2hgj s SER 14 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2hgj s SER 14 CO 0.00 -0.25 0.29 1.21 0.98 0.00 0.00 173.24 175.48 2hgj n GLU 15 N 5.19 0.00 0.00 4.02 4.07 -1.26 -1.50 120.64 131.15 2hgj n GLU 15 Ca -0.04 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2hgj n GLU 15 Cb 0.50 -0.55 0.00 0.00 -0.06 0.00 0.00 31.44 31.33 2hgj n GLU 15 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2hgj n LYS 16 N -1.02 0.00 -0.64 5.31 4.01 -1.26 0.27 118.16 124.83 2hgj n LYS 16 Ca 0.00 0.69 0.49 0.00 -0.51 0.00 0.00 58.31 58.98 2hgj n LYS 16 Cb 0.00 -1.04 0.77 0.00 -0.51 0.00 0.00 35.03 34.25 2hgj n LYS 16 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgj n ALA 17 N -2.66 1.73 -0.15 7.82 0.00 -0.56 -1.44 120.51 125.24 2hgj n ALA 17 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 53.44 54.02 2hgj n ALA 17 Cb 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 2hgj n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2hgj h TYR 18 N 0.00 -1.43 -0.90 0.00 -1.99 0.49 -1.42 116.97 111.72 2hgj h TYR 18 Ca 0.90 0.08 0.19 0.00 2.00 0.00 0.00 58.73 61.90 2hgj h TYR 18 Cb 3.48 0.69 -0.07 0.00 2.00 0.00 0.00 36.73 42.83 2hgj h TYR 18 CO -0.00 -0.46 0.59 0.00 -0.00 0.00 0.00 178.16 178.29 2hgj h ALA 19 N 0.30 2.10 0.72 3.88 0.00 -1.35 -0.30 119.26 124.61 2hgj h ALA 19 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2hgj h ALA 19 Cb 0.58 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2hgj h ALA 19 CO -0.62 -0.38 -0.35 0.78 0.00 0.00 0.00 179.25 178.69 2hgj h GLY 20 N 0.48 -1.01 -0.83 0.00 0.00 -1.42 -0.23 103.07 100.06 2hgj h GLY 20 Ca 0.47 0.37 0.10 0.00 0.00 0.00 0.00 47.33 48.27 2hgj h GLY 20 CO -0.19 -0.37 -0.41 0.69 0.00 0.00 0.00 176.54 176.26 2hgj n PHE 21 N -5.44 -0.17 -0.15 5.60 0.99 0.61 0.72 117.46 119.61 2hgj n PHE 21 Ca -0.13 1.03 -0.08 0.00 -0.00 0.00 0.00 57.45 58.27 2hgj n PHE 21 Cb 0.40 -0.69 -0.06 0.00 -1.00 0.00 0.00 39.48 38.13 2hgj n PHE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2hgj h ALA 22 N 0.78 -0.51 -0.54 4.37 0.00 -0.75 -2.74 119.26 119.87 2hgj h ALA 22 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2hgj h ALA 22 Cb 0.42 1.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2hgj h ALA 22 CO -0.80 -0.72 0.36 1.05 0.00 0.00 0.00 179.25 179.14 2hgj h GLU 23 N -0.16 0.65 0.00 0.00 -0.00 0.21 -3.45 114.58 111.83 2hgj h GLU 23 Ca 0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 2hgj h GLU 23 Cb 0.33 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 28.94 2hgj h GLU 23 CO -0.45 0.43 0.00 0.41 -0.00 0.00 0.00 179.01 179.40 2hgj n GLY 24 N -1.46 -0.20 3.41 1.06 0.00 -0.21 -5.05 105.19 102.74 2hgj n GLY 24 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 2hgj n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgj s LYS 25 N 0.00 1.27 0.01 1.61 1.02 -1.18 -1.09 119.74 121.38 2hgj s LYS 25 Ca 0.00 -1.15 -0.07 0.00 0.02 0.00 0.00 55.97 54.78 2hgj s LYS 25 Cb 0.00 0.42 -0.00 0.00 -0.52 0.00 0.00 37.83 37.72 2hgj s LYS 25 CO 0.00 -0.49 0.12 0.71 -0.92 0.00 0.00 175.35 174.78 2hgj s TYR 26 N -3.97 0.08 -0.02 3.18 1.51 -0.18 -0.29 117.35 117.66 2hgj s TYR 26 Ca 0.17 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 2hgj s TYR 26 Cb 0.02 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.77 2hgj s TYR 26 CO 0.01 -0.30 -0.04 0.95 -1.11 0.00 0.00 175.55 175.06 2hgj s THR 27 N -1.63 3.87 0.34 -0.71 -4.23 -1.26 -1.01 115.64 111.01 2hgj s THR 27 Ca -0.13 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2hgj s THR 27 Cb -0.07 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 2hgj s THR 27 CO 0.00 0.45 0.43 0.49 -0.54 0.00 0.00 174.62 175.45 2hgj n PHE 28 N 1.71 -1.27 -4.54 3.99 3.72 0.03 -1.24 117.46 119.86 2hgj n PHE 28 Ca -0.16 -2.39 -0.27 0.00 -0.05 0.00 0.00 57.45 54.57 2hgj n PHE 28 Cb 0.53 0.48 -0.13 0.00 -0.94 0.00 0.00 39.48 39.41 2hgj n PHE 28 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2hgj s TRP 29 N -3.05 2.10 0.31 1.38 0.52 -0.00 -0.87 118.94 119.33 2hgj s TRP 29 Ca 0.31 -0.40 -0.17 0.00 0.02 0.00 0.00 56.10 55.87 2hgj s TRP 29 Cb -0.00 -1.19 0.02 0.00 -1.15 0.00 0.00 33.47 31.15 2hgj s TRP 29 CO 0.22 0.21 0.68 0.14 0.02 0.00 0.00 176.95 178.22 2hgj s VAL 30 N -0.97 0.00 -0.49 4.03 -7.23 0.03 -0.61 120.40 115.15 2hgj s VAL 30 Ca 0.10 -1.12 -0.44 0.00 -1.81 0.00 0.00 61.98 58.72 2hgj s VAL 30 Cb -0.10 -2.34 -0.19 0.00 0.56 0.00 0.00 36.38 34.32 2hgj s VAL 30 CO 0.04 0.00 2.12 1.57 -0.31 0.00 0.00 175.10 178.51 2hgj n HIS 31 N -0.47 1.15 -1.49 2.82 -0.00 -0.25 -4.34 115.22 112.64 2hgj n HIS 31 Ca -0.04 0.76 -0.14 0.00 -0.00 0.00 0.00 57.72 58.30 2hgj n HIS 31 Cb 0.60 -2.26 -0.11 0.00 -0.00 0.00 0.00 29.99 28.22 2hgj n HIS 31 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2hgj n PRO 32 N 7.41 0.26 0.00 1.57 -0.02 -1.26 -1.12 135.00 141.84 2hgj n PRO 32 Ca 0.54 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2hgj n PRO 32 Cb -0.04 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 30.61 2hgj n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2hgj n LYS 33 N 7.40 0.00 -1.19 -0.52 4.81 -1.26 -5.11 118.16 122.30 2hgj n LYS 33 Ca 0.45 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.46 2hgj n LYS 33 Cb 0.38 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.31 2hgj n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgj n ALA 34 N 0.00 0.22 -1.30 3.14 0.00 -0.27 -4.80 120.51 117.50 2hgj n ALA 34 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 2hgj n ALA 34 Cb 0.00 -1.87 0.04 0.00 0.00 0.00 0.00 19.45 17.62 2hgj n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgj n THR 35 N 6.03 1.27 -0.10 0.00 -1.04 -1.26 -4.53 114.28 114.65 2hgj n THR 35 Ca 0.52 -0.47 0.01 0.00 -2.04 0.00 0.00 64.05 62.07 2hgj n THR 35 Cb -0.00 -0.45 0.30 0.00 -1.82 0.00 0.00 70.33 68.36 2hgj n THR 35 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2hgj h LYS 36 N -0.14 0.75 -0.40 -2.82 1.63 -1.95 0.19 116.57 113.82 2hgj h LYS 36 Ca -0.44 -0.08 -0.15 0.00 -0.85 0.00 0.00 60.65 59.13 2hgj h LYS 36 Cb 1.39 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 2hgj h LYS 36 CO 0.42 0.56 -0.35 1.79 -3.45 0.00 0.00 179.45 178.43 2hgj h THR 37 N 0.75 1.27 -0.92 1.00 1.35 -1.98 -0.45 112.91 113.94 2hgj h THR 37 Ca 0.19 -1.52 0.13 0.00 -0.55 0.00 0.00 66.41 64.66 2hgj h THR 37 Cb 0.05 1.32 -0.07 0.00 -1.73 0.00 0.00 68.15 67.71 2hgj h THR 37 CO -0.03 0.51 0.59 -0.08 -0.25 0.00 0.00 175.52 176.26 2hgj h GLU 38 N 0.78 0.78 0.77 4.72 4.81 -1.28 -0.65 114.58 124.51 2hgj h GLU 38 Ca 0.07 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2hgj h GLU 38 Cb 0.94 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.15 2hgj h GLU 38 CO 0.09 0.51 -0.37 0.82 -0.73 0.00 0.00 179.01 179.33 2hgj h ILE 39 N 0.80 0.22 -0.96 2.32 2.04 -0.00 -0.21 117.51 121.71 2hgj h ILE 39 Ca 0.46 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 66.40 2hgj h ILE 39 Cb 0.61 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 2hgj h ILE 39 CO -0.22 0.00 0.61 0.50 0.00 0.00 0.00 178.15 179.05 2hgj h LYS 40 N -1.08 0.85 0.34 2.37 3.64 -0.21 0.32 116.57 122.80 2hgj h LYS 40 Ca -0.11 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2hgj h LYS 40 Cb 0.81 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2hgj h LYS 40 CO 0.17 0.57 -0.16 -0.97 -2.27 0.00 0.00 179.45 176.79 2hgj h ASN 41 N 0.88 -0.38 -0.01 4.20 -0.73 -0.97 0.25 115.58 118.82 2hgj h ASN 41 Ca 0.48 -0.11 0.03 0.00 1.87 0.00 0.00 56.30 58.57 2hgj h ASN 41 Cb 0.58 0.10 -0.05 0.00 0.27 0.00 0.00 38.32 39.22 2hgj h ASN 41 CO -0.25 -0.10 -0.33 0.00 -0.37 0.00 0.00 177.43 176.38 2hgj h ALA 42 N -0.09 -0.48 -0.29 1.57 0.00 -0.79 -0.49 119.26 118.68 2hgj h ALA 42 Ca -0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2hgj h ALA 42 Cb 0.47 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2hgj h ALA 42 CO 0.08 -0.85 -0.47 0.28 0.00 0.00 0.00 179.25 178.29 2hgj h VAL 43 N -0.48 0.00 0.23 0.00 2.07 -0.89 0.05 116.25 117.23 2hgj h VAL 43 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2hgj h VAL 43 Cb 0.57 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2hgj h VAL 43 CO -0.28 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 176.81 2hgj h GLU 44 N -0.38 -0.37 -1.00 1.57 5.08 -0.59 0.11 114.58 119.00 2hgj h GLU 44 Ca 0.05 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2hgj h GLU 44 Cb 0.52 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2hgj h GLU 44 CO -0.48 -0.25 0.65 1.15 -1.00 0.00 0.00 179.01 179.09 2hgj h THR 45 N -0.38 1.13 0.05 1.13 2.02 -1.14 0.02 112.91 115.74 2hgj h THR 45 Ca -0.03 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2hgj h THR 45 Cb 0.32 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2hgj h THR 45 CO 0.01 0.22 -0.03 0.00 0.37 0.00 0.00 175.52 176.10 2hgj h ALA 46 N 1.43 -0.96 -0.49 6.16 0.00 -0.90 -3.30 119.26 121.19 2hgj h ALA 46 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2hgj h ALA 46 Cb 0.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2hgj h ALA 46 CO -0.15 -0.96 0.00 0.34 0.00 0.00 0.00 179.25 178.48 2hgj n PHE 47 N -2.24 0.65 -3.47 0.00 7.35 0.02 -4.93 117.46 114.83 2hgj n PHE 47 Ca -0.01 -0.33 -0.22 0.00 -0.76 0.00 0.00 57.45 56.14 2hgj n PHE 47 Cb 0.03 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.91 2hgj n PHE 47 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2hgj n LYS 48 N 1.16 -2.57 -1.88 -4.13 4.01 -0.01 -4.65 118.16 110.08 2hgj n LYS 48 Ca 0.19 0.69 -0.00 0.00 -0.51 0.00 0.00 58.31 58.68 2hgj n LYS 48 Cb 0.50 -5.16 -0.00 0.00 -0.51 0.00 0.00 35.03 29.86 2hgj n LYS 48 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2hgj n VAL 49 N -3.77 0.00 -2.55 -0.18 0.24 -1.18 -4.76 118.33 106.13 2hgj n VAL 49 Ca -0.13 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 2hgj n VAL 49 Cb 0.62 -0.14 0.02 0.00 -1.47 0.00 0.00 33.84 32.87 2hgj n VAL 49 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2hgj n LYS 50 N -0.16 2.30 0.00 7.34 0.00 -1.26 -4.70 118.16 121.69 2hgj n LYS 50 Ca -0.00 -3.85 0.00 0.00 -0.00 0.00 0.00 58.31 54.46 2hgj n LYS 50 Cb 0.01 -1.76 0.00 0.00 -0.00 0.00 0.00 35.03 33.28 2hgj n LYS 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2hgj n VAL 51 N -0.32 0.00 -3.97 0.58 0.31 -1.26 -4.44 118.33 109.22 2hgj n VAL 51 Ca 0.24 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.25 2hgj n VAL 51 Cb 0.77 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.55 2hgj n VAL 51 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2hgj s VAL 52 N 0.00 2.48 0.10 2.52 1.01 -0.65 -4.98 120.40 120.88 2hgj s VAL 52 Ca 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 61.98 59.47 2hgj s VAL 52 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2hgj s VAL 52 CO 0.00 -0.65 0.00 0.29 0.00 0.00 0.00 175.10 174.74 2hgj n LYS 53 N 4.06 -1.42 -3.79 2.72 5.02 -1.26 -2.37 118.16 121.12 2hgj n LYS 53 Ca 0.04 1.06 -0.17 0.00 -2.02 0.00 0.00 58.31 57.22 2hgj n LYS 53 Cb 0.40 -1.12 -0.17 0.00 -0.02 0.00 0.00 35.03 34.12 2hgj n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hgj s VAL 54 N -1.15 0.02 0.17 -0.18 1.01 -1.24 -1.13 120.40 117.90 2hgj s VAL 54 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2hgj s VAL 54 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 2hgj s VAL 54 CO 0.00 0.13 0.06 0.20 0.00 0.00 0.00 175.10 175.49 2hgj s ASN 55 N 1.34 5.08 -0.05 3.32 0.01 0.02 -4.89 114.94 119.77 2hgj s ASN 55 Ca -0.06 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 2hgj s ASN 55 Cb -0.13 -1.19 0.02 0.00 0.41 0.00 0.00 41.25 40.36 2hgj s ASN 55 CO -0.03 0.08 -0.04 0.42 -1.51 0.00 0.00 177.10 176.03 2hgj s THR 56 N -1.74 0.50 0.07 1.60 -4.23 -1.26 -0.85 115.64 109.72 2hgj s THR 56 Ca 0.29 -0.08 0.05 0.00 -1.18 0.00 0.00 61.69 60.77 2hgj s THR 56 Cb -0.10 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 2hgj s THR 56 CO 0.21 0.23 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.15 2hgj s LEU 57 N 1.10 2.27 0.16 4.79 0.20 0.37 -4.98 118.68 122.58 2hgj s LEU 57 Ca -0.08 -0.60 0.05 0.00 0.69 0.00 0.00 54.13 54.19 2hgj s LEU 57 Cb -0.14 -0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 45.05 2hgj s LEU 57 CO -0.01 -0.06 -0.11 -1.00 -0.29 0.00 0.00 176.35 174.87 2hgj s HIS 58 N -1.23 1.39 -0.28 5.38 3.76 -1.26 -0.57 115.29 122.47 2hgj s HIS 58 Ca -0.02 -0.70 -0.14 0.00 -0.15 0.00 0.00 55.06 54.05 2hgj s HIS 58 Cb -0.10 -0.68 0.09 0.00 1.11 0.00 0.00 32.58 33.00 2hgj s HIS 58 CO 0.02 0.16 0.67 0.54 -0.85 0.00 0.00 174.74 175.28 2hgj s VAL 59 N -3.18 -0.31 0.50 -0.90 0.11 -0.02 -4.93 120.40 111.67 2hgj s VAL 59 Ca 0.18 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2hgj s VAL 59 Cb 0.01 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2hgj s VAL 59 CO 0.02 0.00 0.74 0.00 -3.33 0.00 0.00 175.10 172.54 2hgj s ARG 60 N 2.02 2.93 -1.14 1.54 1.70 -1.26 -0.72 118.95 124.03 2hgj s ARG 60 Ca -0.09 -0.43 -0.09 0.00 -0.47 0.00 0.00 55.73 54.65 2hgj s ARG 60 Cb -0.07 -2.48 0.25 0.00 -0.57 0.00 0.00 34.95 32.08 2hgj s ARG 60 CO -0.20 -0.45 1.28 0.41 -1.08 0.00 0.00 175.30 175.27 2hgj n GLY 61 N -2.24 4.20 3.62 3.88 0.00 -0.45 -4.88 105.19 109.31 2hgj n GLY 61 Ca 0.03 -2.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.18 2hgj n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgj s LYS 62 N -0.79 3.85 0.00 1.61 1.02 -1.26 -1.40 119.74 122.78 2hgj s LYS 62 Ca 0.34 0.93 0.00 0.00 0.02 0.00 0.00 55.97 57.26 2hgj s LYS 62 Cb -0.05 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 2hgj s LYS 62 CO -0.03 -1.20 0.00 1.17 -0.92 0.00 0.00 175.35 174.37 2hgj n LYS 63 N 7.45 0.00 -3.39 1.68 3.00 -1.25 -5.02 118.16 120.63 2hgj n LYS 63 Ca 0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.29 2hgj n LYS 63 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.42 2hgj n LYS 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hgj s LYS 64 N -0.35 0.33 0.25 1.64 2.20 -0.06 -4.94 119.74 118.80 2hgj s LYS 64 Ca 0.00 -0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 2hgj s LYS 64 Cb 0.00 -0.62 -0.09 0.00 -1.51 0.00 0.00 37.83 35.61 2hgj s LYS 64 CO 0.00 -1.00 1.16 1.03 -0.36 0.00 0.00 175.35 176.18 2hgj s ARG 65 N 2.39 4.55 -0.54 4.03 1.81 -1.26 -0.95 118.95 128.98 2hgj s ARG 65 Ca 0.09 1.87 0.04 0.00 -1.72 0.00 0.00 55.73 56.01 2hgj s ARG 65 Cb -0.14 -3.20 0.15 0.00 -0.45 0.00 0.00 34.95 31.31 2hgj s ARG 65 CO -0.31 0.05 0.34 -0.48 -0.68 0.00 0.00 175.30 174.22 2hgj s LEU 66 N -1.01 3.64 0.00 2.53 0.05 -0.08 -4.86 118.68 118.96 2hgj s LEU 66 Ca 0.48 -3.17 0.00 0.00 0.05 0.00 0.00 54.13 51.50 2hgj s LEU 66 Cb -0.33 -1.32 0.00 0.00 -2.05 0.00 0.00 46.19 42.49 2hgj s LEU 66 CO 0.41 -0.19 0.00 0.61 -0.55 0.00 0.00 176.35 176.63 2hgj n GLY 67 N 2.85 0.41 0.07 -3.48 0.00 -1.26 -0.79 105.19 102.99 2hgj n GLY 67 Ca 0.13 0.64 0.06 0.00 0.00 0.00 0.00 46.02 46.85 2hgj n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgj n ARG 68 N 0.00 0.64 -4.58 1.61 0.63 -1.26 -4.96 116.66 108.73 2hgj n ARG 68 Ca 0.00 0.02 -0.27 0.00 -0.92 0.00 0.00 57.85 56.68 2hgj n ARG 68 Cb 0.00 -1.69 -0.09 0.00 0.45 0.00 0.00 32.46 31.14 2hgj n ARG 68 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2hgj s TYR 69 N -3.22 1.91 0.07 -0.14 1.51 0.03 -5.17 117.35 112.34 2hgj s TYR 69 Ca -0.05 -1.07 -0.02 0.00 -1.01 0.00 0.00 57.07 54.92 2hgj s TYR 69 Cb 0.10 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2hgj s TYR 69 CO 0.84 -0.02 0.02 -0.51 -1.11 0.00 0.00 175.55 174.77 2hgj s LEU 70 N -3.67 2.17 0.00 -1.29 1.02 -1.26 -0.90 118.68 114.75 2hgj s LEU 70 Ca 0.22 -1.00 0.03 0.00 0.02 0.00 0.00 54.13 53.40 2hgj s LEU 70 Cb 0.04 0.35 -0.01 0.00 0.02 0.00 0.00 46.19 46.59 2hgj s LEU 70 CO 0.12 -0.65 0.19 0.61 0.02 0.00 0.00 176.35 176.64 2hgj n GLY 71 N 0.04 3.14 0.93 -3.19 0.00 -0.13 -4.85 105.19 101.13 2hgj n GLY 71 Ca -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 2hgj n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgj n LYS 72 N -0.34 0.04 0.00 1.61 4.76 -1.26 -0.88 118.16 122.08 2hgj n LYS 72 Ca 0.03 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2hgj n LYS 72 Cb 0.33 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 2hgj n LYS 72 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2hgj n ARG 73 N -3.32 -0.04 0.00 1.97 0.63 -0.49 -3.81 116.66 111.60 2hgj n ARG 73 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2hgj n ARG 73 Cb 0.04 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.95 2hgj n ARG 73 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2hgj n PRO 74 N -1.51 1.48 -4.43 -0.14 -0.04 -1.26 -4.28 135.00 124.82 2hgj n PRO 74 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2hgj n PRO 74 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 2hgj n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hgj s ASP 75 N -1.00 1.39 -0.23 3.54 1.01 -1.26 -1.35 116.67 118.78 2hgj s ASP 75 Ca 0.00 -0.22 -0.06 0.00 0.71 0.00 0.00 52.55 52.98 2hgj s ASP 75 Cb 0.00 -0.55 -0.02 0.00 1.01 0.00 0.00 42.92 43.36 2hgj s ASP 75 CO 0.00 0.03 0.03 -0.60 0.21 0.00 0.00 175.17 174.84 2hgj s ARG 76 N 0.53 3.60 -0.23 8.23 6.06 0.11 -4.97 118.95 132.27 2hgj s ARG 76 Ca -0.09 -0.52 -0.09 0.00 -2.50 0.00 0.00 55.73 52.53 2hgj s ARG 76 Cb -0.13 -3.18 -0.04 0.00 0.06 0.00 0.00 34.95 31.65 2hgj s ARG 76 CO 0.02 -0.12 0.12 0.21 -2.50 0.00 0.00 175.30 173.03 2hgj s LYS 77 N 1.37 3.95 0.09 5.12 2.20 -1.26 -0.84 119.74 130.36 2hgj s LYS 77 Ca 0.05 -0.34 0.09 0.00 -0.36 0.00 0.00 55.97 55.41 2hgj s LYS 77 Cb -0.15 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2hgj s LYS 77 CO 0.02 0.05 -0.23 0.21 -0.36 0.00 0.00 175.35 175.03 2hgj s LYS 78 N 1.05 1.70 0.09 4.03 2.20 0.26 -0.79 119.74 128.27 2hgj s LYS 78 Ca 0.06 -1.19 -0.26 0.00 -0.36 0.00 0.00 55.97 54.22 2hgj s LYS 78 Cb -0.14 -2.02 0.08 0.00 -1.51 0.00 0.00 37.83 34.25 2hgj s LYS 78 CO 0.04 0.49 0.75 0.00 -0.36 0.00 0.00 175.35 176.26 2hgj s ALA 79 N -0.99 -1.69 0.04 3.13 0.00 -0.05 -0.48 121.76 121.73 2hgj s ALA 79 Ca 0.14 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.84 2hgj s ALA 79 Cb -0.10 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 2hgj s ALA 79 CO 0.06 -0.75 -0.12 0.42 0.00 0.00 0.00 175.76 175.37 2hgj s ILE 80 N -3.45 0.93 -0.01 0.00 -1.09 -0.03 -0.79 121.20 116.75 2hgj s ILE 80 Ca 0.03 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 2hgj s ILE 80 Cb -0.01 -0.88 0.01 0.00 -1.58 0.00 0.00 42.46 40.00 2hgj s ILE 80 CO -0.10 -0.11 -0.03 0.54 -1.23 0.00 0.00 174.94 174.01 2hgj s VAL 81 N -0.98 0.26 0.45 2.92 0.11 -0.18 -0.80 120.40 122.18 2hgj s VAL 81 Ca -0.02 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2hgj s VAL 81 Cb -0.08 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2hgj s VAL 81 CO 0.01 0.10 0.70 -1.58 -3.33 0.00 0.00 175.10 171.00 2hgj s GLN 82 N 0.25 3.30 0.00 1.54 0.74 -0.29 -1.02 119.66 124.18 2hgj s GLN 82 Ca -0.02 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.19 2hgj s GLN 82 Cb -0.05 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.56 2hgj s GLN 82 CO -0.01 -0.19 0.00 1.33 -0.55 0.00 0.00 175.29 175.87 2hgj n VAL 83 N -2.11 0.00 0.00 1.34 0.24 -0.25 -1.64 118.33 115.91 2hgj n VAL 83 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hgj n VAL 83 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2hgj n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgj n ALA 84 N -3.00 1.20 -0.05 2.33 0.00 -1.26 -2.64 120.51 117.08 2hgj n ALA 84 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2hgj n ALA 84 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2hgj n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2hgj n PRO 85 N -2.18 0.25 0.00 0.00 -0.04 -1.26 -4.98 135.00 126.79 2hgj n PRO 85 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2hgj n PRO 85 Cb 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2hgj n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgj n GLY 86 N 2.95 -0.21 0.89 0.55 0.00 -1.26 -5.09 105.19 103.02 2hgj n GLY 86 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 2hgj n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hgj n GLN 87 N 0.00 -0.03 -0.15 1.61 1.13 -1.26 -5.03 117.38 113.65 2hgj n GLN 87 Ca 0.00 -0.53 0.02 0.00 -1.94 0.00 0.00 57.00 54.55 2hgj n GLN 87 Cb 0.00 -0.26 -0.01 0.00 0.11 0.00 0.00 30.24 30.09 2hgj n GLN 87 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2hgj n LYS 88 N -1.57 -0.31 -0.79 -1.09 4.76 -1.26 -4.72 118.16 113.19 2hgj n LYS 88 Ca 0.04 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2hgj n LYS 88 Cb 0.13 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 2hgj n LYS 88 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2hgj n ILE 89 N -0.88 0.00 0.00 -0.18 5.41 -1.26 -4.90 119.36 117.55 2hgj n ILE 89 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2hgj n ILE 89 Cb 0.07 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 2hgj n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2hgj n GLU 90 N -1.47 0.00 -0.07 0.38 4.71 -1.26 -0.95 120.64 121.98 2hgj n GLU 90 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 2hgj n GLU 90 Cb 0.11 -0.17 -0.02 0.00 -1.01 0.00 0.00 31.44 30.35 2hgj n GLU 90 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2hgj n ALA 91 N -1.11 -0.10 -0.28 0.62 0.00 -1.26 -0.89 120.51 117.49 2hgj n ALA 91 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2hgj n ALA 91 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2hgj n ALA 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgj n LEU 92 N -3.19 0.00 0.15 0.00 4.32 -0.66 -0.90 117.00 116.72 2hgj n LEU 92 Ca 0.00 0.58 -0.14 0.00 -0.02 0.00 0.00 56.01 56.44 2hgj n LEU 92 Cb 0.04 -0.22 -0.06 0.00 -1.62 0.00 0.00 43.42 41.55 2hgj n LEU 92 CO -0.03 -0.22 0.71 1.05 -1.22 0.00 0.00 177.39 177.68 2hgj h GLU 93 N 0.00 -0.46 -0.26 3.23 4.11 0.76 -0.35 114.58 121.60 2hgj h GLU 93 Ca 0.00 0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.51 2hgj h GLU 93 Cb 0.00 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2hgj h GLU 93 CO 0.00 -0.31 -0.06 0.78 0.07 0.00 0.00 179.01 179.49 2hgj h GLY 94 N -0.48 0.19 0.54 1.06 0.00 -0.87 -2.44 103.07 101.07 2hgj h GLY 94 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2hgj h GLY 94 CO -0.06 -0.10 -0.50 1.41 0.00 0.00 0.00 176.54 177.29 2hgj h LEU 95 N 0.00 -1.36 0.00 3.11 3.38 -0.86 -3.51 115.31 116.07 2hgj h LEU 95 Ca 0.12 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2hgj h LEU 95 Cb 0.19 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2hgj h LEU 95 CO -0.26 -0.67 0.00 0.00 0.09 0.00 0.00 178.44 177.60