#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgl n MET 2 N 0.00 0.00 -4.29 2.12 1.56 -1.26 -5.15 117.12 110.10 2hgl n MET 2 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.27 2hgl n MET 2 Cb 0.00 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.27 2hgl n MET 2 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2hgl s LEU 3 N 0.00 1.52 0.49 -0.89 1.43 -1.26 -5.08 118.68 114.89 2hgl s LEU 3 Ca 0.00 -1.49 0.36 0.00 -1.03 0.00 0.00 54.13 51.97 2hgl s LEU 3 Cb 0.00 0.25 1.52 0.00 0.03 0.00 0.00 46.19 47.99 2hgl s LEU 3 CO 0.00 -0.86 1.64 1.23 0.23 0.00 0.00 176.35 178.59 2hgl h GLY 4 N 2.36 0.74 1.44 -3.19 0.00 -2.01 -2.50 103.07 99.90 2hgl h GLY 4 Ca -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2hgl h GLY 4 CO 0.53 -0.21 0.16 -1.05 0.00 0.00 0.00 176.54 175.97 2hgl n PRO 5 N -4.40 0.04 -4.28 4.80 -0.02 -1.26 -4.66 135.00 125.22 2hgl n PRO 5 Ca 0.37 0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 2hgl n PRO 5 Cb 1.55 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 33.14 2hgl n PRO 5 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hgl s GLU 6 N -2.95 1.15 -0.20 -0.52 2.02 -0.94 -5.07 118.70 112.18 2hgl s GLU 6 Ca -0.01 -1.51 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 2hgl s GLU 6 Cb 0.02 -0.67 0.06 0.00 0.10 0.00 0.00 34.13 33.64 2hgl s GLU 6 CO 0.05 0.05 0.03 0.20 0.02 0.00 0.00 175.26 175.61 2hgl s GLY 7 N -3.21 0.75 -0.24 -1.39 0.00 -1.26 -4.84 107.32 97.12 2hgl s GLY 7 Ca 0.20 -0.79 0.23 0.00 0.00 0.00 0.00 44.72 44.36 2hgl s GLY 7 CO 0.03 1.41 1.14 0.61 0.00 0.00 0.00 173.10 176.29 2hgl n GLY 8 N 5.02 1.73 0.00 0.20 0.00 -1.26 -4.24 105.19 106.64 2hgl n GLY 8 Ca -0.09 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2hgl n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgl n GLU 9 N -0.56 0.26 -2.66 1.61 1.02 -1.26 -4.93 120.64 114.11 2hgl n GLU 9 Ca 0.06 -0.56 -0.03 0.00 -0.02 0.00 0.00 57.16 56.60 2hgl n GLU 9 Cb 0.83 -0.78 0.11 0.00 -0.02 0.00 0.00 31.44 31.59 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgl n GLY 10 N -0.10 -1.45 1.98 0.62 0.00 -1.26 -4.86 105.19 100.12 2hgl n GLY 10 Ca 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 46.02 46.82 2hgl n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hgl n PHE 11 N 0.54 0.00 -2.30 1.61 3.72 -1.26 -4.19 117.46 115.58 2hgl n PHE 11 Ca -0.05 -0.79 -0.37 0.00 -0.05 0.00 0.00 57.45 56.19 2hgl n PHE 11 Cb 0.75 -0.82 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 2hgl n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2hgl s VAL 12 N 1.35 3.21 -0.04 -4.37 1.01 -1.12 -0.27 120.40 120.16 2hgl s VAL 12 Ca 0.24 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.20 2hgl s VAL 12 Cb 0.11 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 2hgl s VAL 12 CO 0.00 -0.00 -0.24 0.68 0.00 0.00 0.00 175.10 175.54 2hgl s VAL 13 N -1.55 1.92 0.47 2.92 -7.23 0.49 -1.27 120.40 116.15 2hgl s VAL 13 Ca 0.62 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.62 2hgl s VAL 13 Cb -0.28 -1.62 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 2hgl s VAL 13 CO 0.34 0.54 0.93 -0.75 -0.31 0.00 0.00 175.10 175.85 2hgl s LYS 14 N -0.26 3.99 -0.05 4.82 2.20 0.17 -0.17 119.74 130.44 2hgl s LYS 14 Ca 0.00 0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 56.51 2hgl s LYS 14 Cb -0.12 -2.20 0.03 0.00 -1.51 0.00 0.00 37.83 34.02 2hgl s LYS 14 CO 0.02 -0.15 0.01 -0.51 -0.36 0.00 0.00 175.35 174.36 2hgl s LEU 15 N -3.76 0.81 -0.06 5.43 1.43 0.81 -0.53 118.68 122.81 2hgl s LEU 15 Ca 0.58 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2hgl s LEU 15 Cb -0.10 -0.29 0.03 0.00 0.03 0.00 0.00 46.19 45.86 2hgl s LEU 15 CO 0.26 -0.15 -0.02 -0.60 0.23 0.00 0.00 176.35 176.07 2hgl s ARG 16 N 1.52 0.72 0.00 1.70 3.00 -0.24 -1.25 118.95 124.40 2hgl s ARG 16 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 55.73 54.72 2hgl s ARG 16 Cb -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 34.95 33.88 2hgl s ARG 16 CO -0.03 -0.22 0.00 0.41 0.00 0.00 0.00 175.30 175.46 2hgl n GLY 17 N 4.72 1.37 3.08 8.12 0.00 0.28 -0.32 105.19 122.44 2hgl n GLY 17 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2hgl n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgl n LEU 18 N 0.00 -4.92 0.00 0.99 4.77 0.11 -3.26 117.00 114.69 2hgl n LEU 18 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2hgl n LEU 18 Cb 0.00 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2hgl n LEU 18 CO 0.00 -5.57 0.06 -2.65 -1.33 0.00 0.00 177.39 167.89 2hgl n PRO 19 N 1.74 0.00 0.00 3.23 -0.02 -1.26 -4.55 135.00 134.13 2hgl n PRO 19 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgl n PRO 19 Cb 0.55 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 2hgl n PRO 19 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2hgl n TRP 20 N -0.50 0.00 -1.06 6.00 -0.00 -1.26 -4.35 117.44 116.27 2hgl n TRP 20 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.59 2hgl n TRP 20 Cb 0.00 -0.06 0.21 0.00 -0.00 0.00 0.00 31.31 31.46 2hgl n TRP 20 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2hgl n SER 21 N 0.36 3.18 -4.59 5.87 3.41 -1.26 -4.57 113.62 116.02 2hgl n SER 21 Ca 0.00 -3.10 -0.35 0.00 -0.26 0.00 0.00 58.87 55.16 2hgl n SER 21 Cb 0.00 -0.50 0.10 0.00 -0.26 0.00 0.00 64.21 63.55 2hgl n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgl s SER 23 N -1.81 0.07 0.46 0.00 1.04 -1.26 -5.04 113.70 107.16 2hgl s SER 23 Ca 0.70 -1.18 0.38 0.00 0.48 0.00 0.00 55.95 56.33 2hgl s SER 23 Cb -0.31 0.45 1.50 0.00 0.10 0.00 0.00 66.02 67.76 2hgl s SER 23 CO 0.54 -0.94 1.47 0.52 0.98 0.00 0.00 173.24 175.80 2hgl n VAL 24 N -0.30 -0.14 0.08 5.02 0.31 -1.26 -0.42 118.33 121.62 2hgl n VAL 24 Ca -0.00 1.57 -0.06 0.00 -0.01 0.00 0.00 64.34 65.83 2hgl n VAL 24 Cb 0.64 -2.59 -0.07 0.00 -0.91 0.00 0.00 33.84 30.92 2hgl n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2hgl h GLU 25 N 0.00 0.02 0.00 5.55 3.07 -1.96 -3.07 114.58 118.18 2hgl h GLU 25 Ca 0.85 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.69 2hgl h GLU 25 Cb 3.06 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.97 2hgl h GLU 25 CO -0.25 0.94 -0.63 -3.47 -1.40 0.00 0.00 179.01 174.19 2hgl n ASP 26 N -3.44 0.64 -0.09 1.42 2.03 0.43 -1.04 116.55 116.50 2hgl n ASP 26 Ca -0.01 0.02 -0.16 0.00 0.52 0.00 0.00 54.79 55.17 2hgl n ASP 26 Cb 0.88 0.23 -0.10 0.00 -0.72 0.00 0.00 41.12 41.42 2hgl n ASP 26 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2hgl h VAL 27 N 0.00 0.94 -0.23 5.18 3.04 -1.31 -2.28 116.25 121.59 2hgl h VAL 27 Ca 0.00 -1.97 0.07 0.00 -1.01 0.00 0.00 66.70 63.79 2hgl h VAL 27 Cb 0.69 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 2hgl h VAL 27 CO 0.00 0.32 0.22 1.56 -1.01 0.00 0.00 177.57 178.66 2hgl h GLN 28 N -1.00 0.00 -0.14 4.17 4.20 -1.62 0.67 115.11 121.40 2hgl h GLN 28 Ca -0.19 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.38 2hgl h GLN 28 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2hgl h GLN 28 CO -0.11 0.00 -0.48 -0.97 -0.67 0.00 0.00 178.83 176.60 2hgl h ASN 29 N 0.00 0.66 0.45 1.46 -1.24 -1.16 -2.10 115.58 113.66 2hgl h ASN 29 Ca 0.11 -0.61 -0.20 0.00 0.71 0.00 0.00 56.30 56.31 2hgl h ASN 29 Cb 0.55 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 2hgl h ASN 29 CO -0.00 1.16 -0.84 0.15 -1.29 0.00 0.00 177.43 176.60 2hgl h PHE 30 N 0.21 0.41 -0.96 0.67 3.57 -0.49 -3.01 116.94 117.33 2hgl h PHE 30 Ca -0.02 -0.21 -0.56 0.00 3.53 0.00 0.00 57.97 60.70 2hgl h PHE 30 Cb 1.11 -0.05 -0.30 0.00 2.79 0.00 0.00 35.95 39.50 2hgl h PHE 30 CO 0.10 1.00 0.68 1.28 -2.23 0.00 0.00 178.31 179.14 2hgl n LEU 31 N -3.73 6.95 0.06 0.59 7.99 0.07 -4.53 117.00 124.40 2hgl n LEU 31 Ca -0.04 -3.90 0.07 0.00 -0.01 0.00 0.00 56.01 52.13 2hgl n LEU 31 Cb 0.78 -0.87 0.31 0.00 -0.11 0.00 0.00 43.42 43.53 2hgl n LEU 31 CO 0.48 1.24 0.71 -0.24 -1.51 0.00 0.00 177.39 178.08 2hgl n SER 32 N -1.05 0.24 0.28 -1.43 2.88 -0.79 -0.89 113.62 112.86 2hgl n SER 32 Ca 0.60 0.58 0.18 0.00 -1.33 0.00 0.00 58.87 58.90 2hgl n SER 32 Cb 1.25 -0.62 0.99 0.00 -0.75 0.00 0.00 64.21 65.07 2hgl n SER 32 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2hgl h ASP 33 N 0.00 0.00 -5.04 -3.46 5.19 -1.87 -3.48 116.42 107.76 2hgl h ASP 33 Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 2hgl h ASP 33 Cb 0.17 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.48 2hgl h ASP 33 CO 0.00 0.00 -0.63 0.00 -3.12 0.00 0.00 179.24 175.49 2hgl s THR 35 N -2.00 5.34 0.11 0.00 2.01 -1.26 -5.00 115.64 114.85 2hgl s THR 35 Ca -0.11 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 2hgl s THR 35 Cb -0.06 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 2hgl s THR 35 CO -0.03 0.34 0.30 -0.63 -0.69 0.00 0.00 174.62 173.92 2hgl s ILE 36 N 1.02 5.28 -1.97 1.82 1.09 -1.26 -0.64 121.20 126.54 2hgl s ILE 36 Ca 0.09 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.38 2hgl s ILE 36 Cb -0.13 -3.65 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 2hgl s ILE 36 CO 0.04 0.05 0.23 1.57 -0.10 0.00 0.00 174.94 176.73 2hgl n HIS 37 N 0.03 0.00 0.14 3.97 -0.00 -0.96 -4.18 115.22 114.23 2hgl n HIS 37 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 2hgl n HIS 37 Cb 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2hgl n HIS 37 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2hgl n ASP 38 N -0.47 -2.59 0.00 0.26 2.03 -1.26 -4.84 116.55 109.67 2hgl n ASP 38 Ca 0.00 0.75 0.00 0.00 0.52 0.00 0.00 54.79 56.06 2hgl n ASP 38 Cb 0.00 2.59 0.00 0.00 -0.72 0.00 0.00 41.12 42.99 2hgl n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hgl n GLY 39 N -1.30 4.09 0.00 0.27 0.00 -1.26 -4.89 105.19 102.11 2hgl n GLY 39 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2hgl n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgl n ALA 40 N 0.00 1.46 0.99 4.61 0.00 -1.26 -4.71 120.51 121.60 2hgl n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgl n ALA 40 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2hgl n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgl n ALA 41 N -1.19 2.49 -2.09 0.00 0.00 -1.26 -2.46 120.51 116.01 2hgl n ALA 41 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgl n ALA 41 Cb 0.21 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 2hgl n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgl n GLY 42 N 0.16 0.75 3.09 0.00 0.00 -1.26 -4.74 105.19 103.18 2hgl n GLY 42 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 2hgl n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgl s VAL 43 N 0.00 0.65 -0.10 1.61 -7.23 -1.03 0.14 120.40 114.44 2hgl s VAL 43 Ca 0.06 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 2hgl s VAL 43 Cb 0.07 -0.73 0.04 0.00 0.56 0.00 0.00 36.38 36.32 2hgl s VAL 43 CO -0.03 -0.37 0.43 -1.00 -0.31 0.00 0.00 175.10 173.82 2hgl s HIS 44 N -1.45 -0.41 -0.05 2.82 0.09 0.51 -4.97 115.29 111.84 2hgl s HIS 44 Ca -0.08 0.88 0.04 0.00 -0.00 0.00 0.00 55.06 55.90 2hgl s HIS 44 Cb -0.09 0.17 -0.00 0.00 -0.00 0.00 0.00 32.58 32.66 2hgl s HIS 44 CO 0.01 -0.34 -0.17 -0.06 -0.00 0.00 0.00 174.74 174.18 2hgl s PHE 45 N -0.47 1.72 0.24 1.40 0.40 -1.26 -0.97 117.98 119.03 2hgl s PHE 45 Ca -0.06 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 2hgl s PHE 45 Cb -0.03 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 2hgl s PHE 45 CO 0.03 -0.20 0.41 0.42 0.70 0.00 0.00 175.22 176.58 2hgl s ILE 46 N 0.16 5.21 0.02 0.64 -1.09 -0.55 -4.97 121.20 120.62 2hgl s ILE 46 Ca -0.07 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.77 2hgl s ILE 46 Cb -0.13 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 2hgl s ILE 46 CO 0.03 -0.29 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.09 2hgl s TYR 47 N -1.99 0.38 -0.37 3.97 1.51 -1.26 -1.74 117.35 117.86 2hgl s TYR 47 Ca 0.37 -0.33 0.10 0.00 -1.01 0.00 0.00 57.07 56.20 2hgl s TYR 47 Cb -0.10 -0.24 0.45 0.00 -0.11 0.00 0.00 41.96 41.95 2hgl s TYR 47 CO 0.31 -0.08 1.10 -2.37 -1.11 0.00 0.00 175.55 173.39 2hgl n THR 48 N 2.12 2.03 -0.76 -0.71 5.66 -0.26 -4.74 114.28 117.62 2hgl n THR 48 Ca -0.19 -4.21 0.00 0.00 -3.05 0.00 0.00 64.05 56.60 2hgl n THR 48 Cb 0.57 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 2hgl n THR 48 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2hgl n ARG 49 N -0.46 -0.23 0.00 1.09 3.00 -1.26 -4.94 116.66 113.86 2hgl n ARG 49 Ca 0.31 -0.12 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 2hgl n ARG 49 Cb 0.77 -0.62 0.00 0.00 0.00 0.00 0.00 32.46 32.62 2hgl n ARG 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2hgl n GLU 50 N -0.00 2.14 -0.84 5.56 0.00 -1.26 -4.33 120.64 121.91 2hgl n GLU 50 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 2hgl n GLU 50 Cb 0.19 -0.76 -0.05 0.00 0.00 0.00 0.00 31.44 30.82 2hgl n GLU 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgl n GLY 51 N 1.73 0.46 3.60 -1.84 0.00 -1.26 -5.13 105.19 102.74 2hgl n GLY 51 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2hgl n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hgl s ARG 52 N 0.00 0.55 1.05 1.61 3.52 -1.26 -5.08 118.95 119.33 2hgl s ARG 52 Ca 0.00 1.40 -0.12 0.00 -0.13 0.00 0.00 55.73 56.88 2hgl s ARG 52 Cb 0.00 0.79 0.22 0.00 -1.56 0.00 0.00 34.95 34.41 2hgl s ARG 52 CO 0.00 -0.21 1.08 -0.65 -0.81 0.00 0.00 175.30 174.71 2hgl s GLN 53 N 2.84 -0.06 0.24 5.12 -0.21 -1.26 -1.10 119.66 125.23 2hgl s GLN 53 Ca -0.05 1.12 0.01 0.00 0.02 0.00 0.00 55.36 56.46 2hgl s GLN 53 Cb -0.12 -1.63 -0.05 0.00 1.00 0.00 0.00 33.01 32.21 2hgl s GLN 53 CO -0.18 -3.23 0.08 -1.54 -2.12 0.00 0.00 175.29 168.30 2hgl s SER 54 N -2.62 1.18 -0.03 5.90 1.04 -0.71 -4.51 113.70 113.95 2hgl s SER 54 Ca 0.67 -1.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 2hgl s SER 54 Cb -0.24 0.16 -0.07 0.00 0.10 0.00 0.00 66.02 65.97 2hgl s SER 54 CO 0.62 -0.70 2.51 0.61 0.98 0.00 0.00 173.24 177.26 2hgl n GLY 55 N -0.42 2.79 3.06 7.32 0.00 -1.26 -4.52 105.19 112.16 2hgl n GLY 55 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 2hgl n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hgl s GLU 56 N 0.15 0.52 0.27 1.61 2.02 -1.26 -0.56 118.70 121.45 2hgl s GLU 56 Ca 0.24 -0.94 -0.21 0.00 0.02 0.00 0.00 54.97 54.07 2hgl s GLU 56 Cb 0.12 0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.40 2hgl s GLU 56 CO -0.01 -0.05 0.72 0.00 0.02 0.00 0.00 175.26 175.94 2hgl s ALA 57 N -2.56 -1.27 -0.04 5.21 0.00 -0.38 -1.48 121.76 121.24 2hgl s ALA 57 Ca -0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 2hgl s ALA 57 Cb -0.02 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.96 2hgl s ALA 57 CO -0.04 -1.01 0.16 -0.06 0.00 0.00 0.00 175.76 174.80 2hgl s PHE 58 N -3.89 -0.10 -0.21 0.00 0.40 -0.14 -0.13 117.98 113.90 2hgl s PHE 58 Ca 0.10 0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.63 2hgl s PHE 58 Cb -0.05 0.02 0.10 0.00 0.51 0.00 0.00 43.02 43.60 2hgl s PHE 58 CO 0.05 -0.17 0.26 0.08 0.70 0.00 0.00 175.22 176.14 2hgl s VAL 59 N -0.49 -0.39 -0.43 -0.44 1.01 0.76 -0.36 120.40 120.05 2hgl s VAL 59 Ca -0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 2hgl s VAL 59 Cb -0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 2hgl s VAL 59 CO 0.01 -0.18 2.31 -1.61 0.00 0.00 0.00 175.10 175.62 2hgl s GLU 60 N 2.38 2.41 1.07 2.72 2.02 0.12 -0.38 118.70 129.05 2hgl s GLU 60 Ca 0.08 1.49 -0.13 0.00 0.02 0.00 0.00 54.97 56.43 2hgl s GLU 60 Cb -0.16 -4.51 0.23 0.00 0.10 0.00 0.00 34.13 29.79 2hgl s GLU 60 CO -0.13 -2.93 1.08 -0.51 0.02 0.00 0.00 175.26 172.79 2hgl s LEU 61 N 10.92 1.21 0.00 1.80 1.02 0.63 -2.25 118.68 132.00 2hgl s LEU 61 Ca 0.95 1.15 0.26 0.00 0.02 0.00 0.00 54.13 56.52 2hgl s LEU 61 Cb -0.21 -3.19 0.68 0.00 0.02 0.00 0.00 46.19 43.50 2hgl s LEU 61 CO 0.28 -3.56 1.52 0.61 0.02 0.00 0.00 176.35 175.23 2hgl n GLY 62 N -0.65 -0.40 3.83 -3.19 0.00 0.19 -3.57 105.19 101.39 2hgl n GLY 62 Ca 0.05 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 2hgl n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hgl s SER 63 N -2.42 -0.24 0.22 1.61 1.04 -1.26 -4.83 113.70 107.81 2hgl s SER 63 Ca 0.26 -0.55 0.25 0.00 0.48 0.00 0.00 55.95 56.39 2hgl s SER 63 Cb 0.19 0.67 0.90 0.00 0.10 0.00 0.00 66.02 67.88 2hgl s SER 63 CO 0.50 -1.23 1.74 1.21 0.98 0.00 0.00 173.24 176.44 2hgl n GLU 64 N -0.46 0.21 -0.03 4.02 2.13 -1.26 -1.48 120.64 123.77 2hgl n GLU 64 Ca -0.05 0.30 -0.10 0.00 0.66 0.00 0.00 57.16 57.98 2hgl n GLU 64 Cb 0.60 -1.82 0.05 0.00 0.27 0.00 0.00 31.44 30.54 2hgl n GLU 64 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2hgl h ASP 65 N 0.00 0.71 -0.79 4.31 5.19 -1.98 -1.94 116.42 121.92 2hgl h ASP 65 Ca 0.00 -0.35 0.03 0.00 -0.62 0.00 0.00 57.03 56.09 2hgl h ASP 65 Cb 0.54 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 2hgl h ASP 65 CO 0.00 1.08 0.51 0.44 -3.12 0.00 0.00 179.24 178.14 2hgl h ASP 66 N 0.52 0.84 -0.11 6.45 3.32 -1.76 0.60 116.42 126.28 2hgl h ASP 66 Ca 0.03 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2hgl h ASP 66 Cb 1.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2hgl h ASP 66 CO 0.10 0.58 -0.06 -0.37 -1.72 0.00 0.00 179.24 177.77 2hgl h VAL 67 N 0.99 0.81 -0.73 -1.35 -1.51 -1.11 -0.56 116.25 112.78 2hgl h VAL 67 Ca 0.31 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.87 2hgl h VAL 67 Cb -0.00 0.81 -0.07 0.00 -2.13 0.00 0.00 31.29 29.89 2hgl h VAL 67 CO -0.11 0.00 0.38 0.11 -1.23 0.00 0.00 177.57 176.73 2hgl h LYS 68 N -0.06 0.63 -0.39 5.19 6.56 -1.17 0.19 116.57 127.52 2hgl h LYS 68 Ca 0.06 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.56 2hgl h LYS 68 Cb 0.15 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 2hgl h LYS 68 CO -0.14 0.42 0.03 0.52 -2.06 0.00 0.00 179.45 178.22 2hgl h MET 69 N 0.65 0.61 -0.15 3.15 2.86 -0.38 -1.76 114.93 119.91 2hgl h MET 69 Ca 0.36 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.70 2hgl h MET 69 Cb 0.36 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2hgl h MET 69 CO -0.26 0.61 -0.61 0.00 1.06 0.00 0.00 176.91 177.71 2hgl h ALA 70 N 1.45 0.67 0.00 6.32 0.00 -0.47 -3.20 119.26 124.02 2hgl h ALA 70 Ca 0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2hgl h ALA 70 Cb 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2hgl h ALA 70 CO 0.01 0.71 -0.08 -0.07 0.00 0.00 0.00 179.25 179.82 2hgl h LEU 71 N 0.37 0.00 -1.88 0.00 3.38 0.04 -1.50 115.31 115.72 2hgl h LEU 71 Ca -0.01 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.25 2hgl h LEU 71 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 2hgl h LEU 71 CO 0.11 0.08 0.73 0.11 0.09 0.00 0.00 178.44 179.55 2hgl h LYS 72 N 0.00 0.08 -0.66 1.13 1.57 -1.34 -2.14 116.57 115.22 2hgl h LYS 72 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2hgl h LYS 72 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2hgl h LYS 72 CO 0.01 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.57 2hgl n LYS 73 N -4.30 2.58 0.00 3.15 5.02 -0.57 -4.84 118.16 119.21 2hgl n LYS 73 Ca 0.22 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 2hgl n LYS 73 Cb 1.04 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 34.55 2hgl n LYS 73 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2hgl n ASP 74 N 1.50 0.00 -0.25 4.39 5.75 -0.81 -1.83 116.55 125.31 2hgl n ASP 74 Ca 0.23 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2hgl n ASP 74 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 2hgl n ASP 74 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2hgl n ARG 75 N -0.57 0.00 0.00 0.11 1.74 -1.26 -2.89 116.66 113.79 2hgl n ARG 75 Ca 0.01 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2hgl n ARG 75 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 2hgl n ARG 75 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hgl n GLU 76 N 0.00 0.70 -3.90 5.56 0.28 -0.76 -4.77 120.64 117.75 2hgl n GLU 76 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 2hgl n GLU 76 Cb 0.52 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.31 2hgl n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2hgl s SER 77 N -1.02 0.17 -0.43 -1.84 1.04 -1.26 -0.59 113.70 109.77 2hgl s SER 77 Ca 0.00 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.76 2hgl s SER 77 Cb 0.00 0.32 0.17 0.00 0.10 0.00 0.00 66.02 66.62 2hgl s SER 77 CO 0.00 -0.72 0.49 -0.32 0.98 0.00 0.00 173.24 173.67 2hgl s MET 78 N -3.88 0.86 0.00 4.02 1.75 -0.20 -4.89 119.30 116.97 2hgl s MET 78 Ca 0.06 -1.26 0.00 0.00 -1.25 0.00 0.00 55.69 53.24 2hgl s MET 78 Cb 0.05 -0.67 0.00 0.00 2.84 0.00 0.00 34.83 37.05 2hgl s MET 78 CO -0.10 -1.29 0.39 0.41 -0.65 0.00 0.00 175.02 173.77 2hgl n GLY 79 N 3.44 -0.40 0.00 2.11 0.00 -1.26 -4.53 105.19 104.55 2hgl n GLY 79 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2hgl n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hgl n HIS 80 N -0.04 0.00 -3.91 1.61 8.25 -1.26 -5.07 115.22 114.80 2hgl n HIS 80 Ca 0.00 -0.17 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 2hgl n HIS 80 Cb 0.13 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2hgl s ARG 81 N -0.34 0.40 0.43 -0.41 1.81 -1.26 -5.04 118.95 114.54 2hgl s ARG 81 Ca 0.00 -0.46 -0.13 0.00 -1.72 0.00 0.00 55.73 53.42 2hgl s ARG 81 Cb 0.00 0.16 -0.07 0.00 -0.45 0.00 0.00 34.95 34.59 2hgl s ARG 81 CO 0.00 -0.09 0.83 0.71 -0.68 0.00 0.00 175.30 176.08 2hgl s TYR 82 N -1.36 3.46 -0.52 -0.53 2.02 -1.20 -1.03 117.35 118.19 2hgl s TYR 82 Ca -0.15 1.18 0.05 0.00 -0.37 0.00 0.00 57.07 57.79 2hgl s TYR 82 Cb -0.08 -2.55 0.19 0.00 -0.40 0.00 0.00 41.96 39.11 2hgl s TYR 82 CO 0.01 -0.17 0.45 -0.89 -1.57 0.00 0.00 175.55 173.37 2hgl n ILE 83 N -1.33 0.05 -1.98 2.71 2.08 0.24 -0.71 119.36 120.43 2hgl n ILE 83 Ca 0.04 -4.11 -0.43 0.00 0.56 0.00 0.00 62.75 58.81 2hgl n ILE 83 Cb 0.54 -1.90 -0.03 0.00 -0.75 0.00 0.00 39.64 37.51 2hgl n ILE 83 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2hgl s GLU 84 N -0.80 3.55 -0.55 0.38 2.12 0.56 -4.00 118.70 119.97 2hgl s GLU 84 Ca 0.31 1.66 -0.19 0.00 0.36 0.00 0.00 54.97 57.12 2hgl s GLU 84 Cb 0.04 -4.15 0.08 0.00 0.26 0.00 0.00 34.13 30.36 2hgl s GLU 84 CO -0.16 -1.60 0.65 0.08 -0.54 0.00 0.00 175.26 173.69 2hgl s VAL 85 N 6.21 4.87 0.25 3.70 1.01 -1.14 -1.08 120.40 134.23 2hgl s VAL 85 Ca 0.79 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2hgl s VAL 85 Cb -0.26 -4.38 -0.08 0.00 0.00 0.00 0.00 36.38 31.66 2hgl s VAL 85 CO 0.33 -0.95 0.64 -0.36 0.00 0.00 0.00 175.10 174.76 2hgl s PHE 86 N 2.59 3.46 0.27 5.22 0.40 0.31 -4.69 117.98 125.53 2hgl s PHE 86 Ca 0.13 1.09 -0.29 0.00 -0.60 0.00 0.00 56.93 57.26 2hgl s PHE 86 Cb -0.22 -2.42 -0.09 0.00 0.51 0.00 0.00 43.02 40.79 2hgl s PHE 86 CO 0.09 0.23 1.16 0.21 0.70 0.00 0.00 175.22 177.61 2hgl s LYS 87 N -2.66 4.56 0.20 0.44 2.20 -1.26 -0.66 119.74 122.56 2hgl s LYS 87 Ca 0.48 1.90 -0.10 0.00 -0.36 0.00 0.00 55.97 57.88 2hgl s LYS 87 Cb -0.12 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 2hgl s LYS 87 CO 0.19 0.08 0.37 -1.12 -0.36 0.00 0.00 175.35 174.51 2hgl s SER 88 N -0.61 -0.03 0.19 1.43 0.01 -0.39 -4.72 113.70 109.58 2hgl s SER 88 Ca 0.47 -0.91 -0.06 0.00 1.31 0.00 0.00 55.95 56.76 2hgl s SER 88 Cb -0.34 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.38 2hgl s SER 88 CO 0.42 -1.00 0.24 -1.00 0.41 0.00 0.00 173.24 172.31 2hgl s HIS 89 N -4.00 0.71 0.00 2.43 3.76 -1.26 -2.81 115.29 114.12 2hgl s HIS 89 Ca 0.21 -1.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.07 2hgl s HIS 89 Cb 0.02 -0.23 -0.07 0.00 1.11 0.00 0.00 32.58 33.40 2hgl s HIS 89 CO 0.05 -0.72 1.39 -2.13 -0.85 0.00 0.00 174.74 172.48 2hgl n ARG 90 N -0.25 0.62 0.09 1.40 0.63 -1.26 -1.07 116.66 116.82 2hgl n ARG 90 Ca -0.03 -0.27 0.00 0.00 -0.92 0.00 0.00 57.85 56.63 2hgl n ARG 90 Cb 0.64 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.95 2hgl n ARG 90 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2hgl n THR 91 N 2.60 0.00 -0.09 5.15 -1.04 -1.26 -4.72 114.28 114.92 2hgl n THR 91 Ca 0.12 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.99 2hgl n THR 91 Cb 0.29 -0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 68.70 2hgl n THR 91 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2hgl h GLU 92 N 0.00 0.72 -0.71 -2.82 4.22 -1.92 -1.51 114.58 112.56 2hgl h GLU 92 Ca 0.00 -0.41 -0.02 0.00 0.08 0.00 0.00 59.36 59.01 2hgl h GLU 92 Cb 0.00 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2hgl h GLU 92 CO 0.00 1.03 0.35 1.98 -2.18 0.00 0.00 179.01 180.19 2hgl h MET 93 N 0.46 1.02 -0.22 1.92 4.05 -1.45 -2.87 114.93 117.83 2hgl h MET 93 Ca 0.03 -0.14 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 2hgl h MET 93 Cb 0.93 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 2hgl h MET 93 CO 0.08 0.79 -0.08 0.22 0.23 0.00 0.00 176.91 178.15 2hgl h ASP 94 N 0.99 0.32 0.50 1.39 3.58 -1.68 -2.12 116.42 119.40 2hgl h ASP 94 Ca 0.25 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2hgl h ASP 94 Cb 0.10 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2hgl h ASP 94 CO -0.03 0.44 -0.24 -0.25 -2.88 0.00 0.00 179.24 176.28 2hgl h TRP 95 N 0.33 -0.62 0.00 0.28 -0.00 -1.24 -3.36 115.95 111.34 2hgl h TRP 95 Ca 0.07 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 58.88 2hgl h TRP 95 Cb 0.35 0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.71 2hgl h TRP 95 CO 0.01 -0.33 -0.31 -0.39 -0.00 0.00 0.00 178.44 177.42 2hgl h VAL 96 N -0.80 0.80 0.00 2.65 -1.51 -1.16 -1.07 116.25 115.17 2hgl h VAL 96 Ca -0.07 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 2hgl h VAL 96 Cb 0.57 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 2hgl h VAL 96 CO 0.11 0.30 0.00 0.18 -1.23 0.00 0.00 177.57 176.93 2hgl n LEU 97 N -3.57 0.00 0.00 4.19 4.32 -1.09 -3.29 117.00 117.56 2hgl n LEU 97 Ca -0.01 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 2hgl n LEU 97 Cb 0.45 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2hgl n LEU 97 CO 0.35 -0.03 0.45 0.29 -1.22 0.00 0.00 177.39 177.24 2hgl n LYS 98 N -1.19 2.25 0.28 3.23 5.02 -0.43 -4.77 118.16 122.55 2hgl n LYS 98 Ca 0.15 -1.31 0.17 0.00 -2.02 0.00 0.00 58.31 55.30 2hgl n LYS 98 Cb 0.17 -0.99 0.90 0.00 -0.02 0.00 0.00 35.03 35.09 2hgl n LYS 98 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2hgl h HIS 99 N 0.00 0.00 -0.73 2.13 2.76 -1.49 -3.42 115.15 114.40 2hgl h HIS 99 Ca 0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 2hgl h HIS 99 Cb 0.43 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2hgl h HIS 99 CO 0.00 0.00 0.70 0.43 -1.30 0.00 0.00 177.93 177.76 2hgl n SER 100 N -2.73 1.78 0.00 3.26 7.64 -1.26 -4.64 113.62 117.66 2hgl n SER 100 Ca -0.02 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2hgl n SER 100 Cb 0.14 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 2hgl n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hgl n GLY 101 N 6.48 -1.85 0.00 0.23 0.00 -1.26 -5.11 105.19 103.68 2hgl n GLY 101 Ca 0.45 0.89 0.15 0.00 0.00 0.00 0.00 46.02 47.51 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77