#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 -1.56 -4.05 2.12 0.00 -1.26 -4.98 117.12 107.38 2hgl n MET 2 Ca 0.00 1.13 -0.11 0.00 0.00 0.00 0.00 57.70 58.72 2hgl n MET 2 Cb 0.00 -5.64 -0.05 0.00 0.00 0.00 0.00 33.22 27.53 2hgl n MET 2 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2hgl s LEU 3 N -5.32 0.67 1.25 4.03 0.05 -1.26 -5.06 118.68 113.04 2hgl s LEU 3 Ca 0.00 -1.19 -0.17 0.00 0.05 0.00 0.00 54.13 52.81 2hgl s LEU 3 Cb 0.00 1.49 0.30 0.00 -2.05 0.00 0.00 46.19 45.93 2hgl s LEU 3 CO 0.00 -1.17 1.02 -0.83 -0.55 0.00 0.00 176.35 174.82 2hgl s GLY 4 N -3.12 1.51 0.00 -3.48 0.00 -1.15 -4.34 107.32 96.74 2hgl s GLY 4 Ca 0.27 -0.58 0.28 0.00 0.00 0.00 0.00 44.72 44.70 2hgl s GLY 4 CO 0.13 0.27 1.81 -1.55 0.00 0.00 0.00 173.10 173.76 2hgl n PRO 5 N -5.06 0.80 -0.20 2.90 -0.04 -1.26 -4.96 135.00 127.19 2hgl n PRO 5 Ca 0.08 -0.33 -0.07 0.00 -0.04 0.00 0.00 63.50 63.15 2hgl n PRO 5 Cb 0.58 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2hgl n PRO 5 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2hgl h GLU 6 N 0.79 0.79 0.00 0.54 5.08 -2.00 -3.41 114.58 116.37 2hgl h GLU 6 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2hgl h GLU 6 Cb 0.38 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2hgl h GLU 6 CO 0.00 0.62 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 2hgl n GLY 7 N -1.01 -0.15 0.57 -3.84 0.00 -1.26 -4.78 105.19 94.72 2hgl n GLY 7 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2hgl n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgl n GLY 8 N 0.00 0.79 0.00 -0.02 0.00 -1.26 -2.91 105.19 101.78 2hgl n GLY 8 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2hgl n GLY 8 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hgl n GLU 9 N 0.02 0.00 0.00 1.61 0.00 -1.26 -5.10 120.64 115.90 2hgl n GLU 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2hgl n GLU 9 Cb 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 31.44 31.76 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgl n GLY 10 N 0.14 1.65 2.34 -1.84 0.00 -1.26 -4.73 105.19 101.49 2hgl n GLY 10 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.14 1.24 -2.59 1.61 3.72 -1.26 -4.30 117.46 115.73 2hgl n PHE 11 Ca 0.00 -2.06 -0.39 0.00 -0.05 0.00 0.00 57.45 54.95 2hgl n PHE 11 Cb 0.00 -1.83 -0.05 0.00 -0.94 0.00 0.00 39.48 36.66 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 2.31 3.75 -0.04 -4.37 1.01 -1.25 -0.33 120.40 121.49 2hgl s VAL 12 Ca 0.54 1.65 0.07 0.00 0.00 0.00 0.00 61.98 64.23 2hgl s VAL 12 Cb 0.18 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2hgl s VAL 12 CO -0.03 0.30 -0.24 0.68 0.00 0.00 0.00 175.10 175.81 2hgl s VAL 13 N -1.31 2.20 0.51 2.92 -7.23 0.15 -1.73 120.40 115.91 2hgl s VAL 13 Ca 0.47 -1.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.41 2hgl s VAL 13 Cb -0.27 -1.78 -0.07 0.00 0.56 0.00 0.00 36.38 34.81 2hgl s VAL 13 CO 0.34 0.58 1.02 -0.75 -0.31 0.00 0.00 175.10 175.98 2hgl s LYS 14 N -0.48 3.77 0.02 4.82 2.20 0.57 -0.05 119.74 130.59 2hgl s LYS 14 Ca 0.06 1.19 0.07 0.00 -0.36 0.00 0.00 55.97 56.94 2hgl s LYS 14 Cb -0.11 -2.10 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2hgl s LYS 14 CO 0.01 -0.43 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.84 2hgl s LEU 15 N -3.83 2.12 -0.03 5.43 1.02 0.70 -0.52 118.68 123.56 2hgl s LEU 15 Ca 0.64 -0.48 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 2hgl s LEU 15 Cb -0.14 -1.03 0.03 0.00 0.02 0.00 0.00 46.19 45.08 2hgl s LEU 15 CO 0.26 0.20 0.06 -0.60 0.02 0.00 0.00 176.35 176.29 2hgl s ARG 16 N -0.95 -0.02 0.00 1.70 3.00 -1.01 -1.23 118.95 120.44 2hgl s ARG 16 Ca 0.08 0.26 0.00 0.00 -1.00 0.00 0.00 55.73 55.07 2hgl s ARG 16 Cb -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 34.95 34.59 2hgl s ARG 16 CO 0.01 -0.20 0.00 0.41 0.00 0.00 0.00 175.30 175.52 2hgl n GLY 17 N 4.39 1.26 3.24 8.12 0.00 0.30 -0.41 105.19 122.09 2hgl n GLY 17 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2hgl n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2hgl n LEU 18 N 0.00 -2.84 -4.60 0.99 -0.00 -0.10 -3.93 117.00 106.52 2hgl n LEU 18 Ca 0.00 0.45 -0.31 0.00 -0.00 0.00 0.00 56.01 56.15 2hgl n LEU 18 Cb 0.00 -0.96 0.19 0.00 -0.00 0.00 0.00 43.42 42.65 2hgl n LEU 18 CO 0.00 -4.62 0.56 -2.65 -0.00 0.00 0.00 177.39 170.68 2hgl n PRO 19 N 0.90 -0.90 0.00 1.47 -0.02 -1.26 -4.12 135.00 131.06 2hgl n PRO 19 Ca 0.05 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2hgl n PRO 19 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2hgl n PRO 19 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2hgl n TRP 20 N -4.38 0.00 -2.26 6.00 8.01 -1.26 -2.47 117.44 121.09 2hgl n TRP 20 Ca 0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 2hgl n TRP 20 Cb 0.53 -0.33 -0.01 0.00 -2.01 0.00 0.00 31.31 29.49 2hgl n TRP 20 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2hgl n SER 21 N -1.31 0.23 -4.65 -0.99 7.64 -1.26 -4.78 113.62 108.50 2hgl n SER 21 Ca 0.00 -1.93 -0.37 0.00 1.01 0.00 0.00 58.87 57.58 2hgl n SER 21 Cb 0.05 -0.10 0.06 0.00 -1.01 0.00 0.00 64.21 63.22 2hgl n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgl s SER 23 N -1.30 1.18 0.48 0.00 1.04 -1.26 -5.02 113.70 108.82 2hgl s SER 23 Ca 0.78 -1.23 0.23 0.00 0.48 0.00 0.00 55.95 56.21 2hgl s SER 23 Cb -0.40 0.14 1.27 0.00 0.10 0.00 0.00 66.02 67.12 2hgl s SER 23 CO 0.45 -0.61 1.92 0.58 0.98 0.00 0.00 173.24 176.55 2hgl h VAL 24 N 2.62 0.69 -0.03 5.02 2.07 -1.96 0.33 116.25 125.00 2hgl h VAL 24 Ca -0.37 -0.07 -0.23 0.00 0.82 0.00 0.00 66.70 66.86 2hgl h VAL 24 Cb 1.22 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2hgl h VAL 24 CO 0.62 0.04 -0.91 -0.08 0.02 0.00 0.00 177.57 177.26 2hgl h GLU 25 N 0.19 0.49 0.00 1.57 4.81 -1.96 -3.13 114.58 116.55 2hgl h GLU 25 Ca 0.38 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2hgl h GLU 25 Cb 1.19 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2hgl h GLU 25 CO -0.07 1.13 0.00 0.22 -0.73 0.00 0.00 179.01 179.56 2hgl h ASP 26 N 0.29 0.00 0.06 1.04 3.58 -1.40 0.67 116.42 120.67 2hgl h ASP 26 Ca -0.08 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.15 2hgl h ASP 26 Cb 1.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.57 2hgl h ASP 26 CO 0.16 0.00 -1.18 1.62 -2.88 0.00 0.00 179.24 176.97 2hgl h VAL 27 N 0.00 1.09 0.00 2.25 3.04 -1.25 -1.54 116.25 119.85 2hgl h VAL 27 Ca 0.00 -2.32 0.00 0.00 -1.01 0.00 0.00 66.70 63.37 2hgl h VAL 27 Cb 0.63 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 2hgl h VAL 27 CO 0.00 0.57 0.00 1.56 -1.01 0.00 0.00 177.57 178.69 2hgl h GLN 28 N -0.61 0.00 0.03 4.17 4.20 -1.54 -0.18 115.11 121.18 2hgl h GLN 28 Ca -0.28 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.33 2hgl h GLN 28 Cb 1.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 2hgl h GLN 28 CO -0.03 0.00 -0.54 -0.97 -0.67 0.00 0.00 178.83 176.62 2hgl h ASN 29 N 0.00 0.10 -0.45 1.46 -1.24 -0.90 -1.69 115.58 112.86 2hgl h ASN 29 Ca 0.00 -0.86 0.13 0.00 0.71 0.00 0.00 56.30 56.28 2hgl h ASN 29 Cb 0.23 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 2hgl h ASN 29 CO 0.00 1.23 0.33 0.15 -1.29 0.00 0.00 177.43 177.85 2hgl h PHE 30 N -0.85 0.00 -0.98 0.67 3.57 -1.04 -2.51 116.94 115.80 2hgl h PHE 30 Ca -0.13 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.85 2hgl h PHE 30 Cb 1.23 0.00 -0.42 0.00 2.79 0.00 0.00 35.95 39.55 2hgl h PHE 30 CO 0.21 0.00 -0.85 1.28 -2.23 0.00 0.00 178.31 176.72 2hgl n LEU 31 N -4.33 4.24 0.18 0.59 4.77 -0.10 -4.71 117.00 117.64 2hgl n LEU 31 Ca 0.08 -4.64 0.10 0.00 -0.03 0.00 0.00 56.01 51.52 2hgl n LEU 31 Cb 0.54 -0.23 0.54 0.00 -2.33 0.00 0.00 43.42 41.94 2hgl n LEU 31 CO 0.36 1.99 0.85 0.77 -1.33 0.00 0.00 177.39 180.03 2hgl h SER 32 N 2.41 0.00 -0.06 -1.43 4.64 -0.83 0.08 113.55 118.36 2hgl h SER 32 Ca 0.26 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 2hgl h SER 32 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2hgl h SER 32 CO 0.71 0.00 0.06 0.44 -0.87 0.00 0.00 176.83 177.16 2hgl h ASP 33 N 0.00 0.00 -3.63 4.97 5.19 -1.86 -3.49 116.42 117.61 2hgl h ASP 33 Ca 0.00 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.00 2hgl h ASP 33 Cb 0.26 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.63 2hgl h ASP 33 CO 0.00 0.00 -0.66 0.00 -3.12 0.00 0.00 179.24 175.46 2hgl s THR 35 N -3.33 1.84 0.21 0.00 2.01 -1.26 -5.04 115.64 110.07 2hgl s THR 35 Ca 0.29 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.45 2hgl s THR 35 Cb 0.06 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2hgl s THR 35 CO 0.10 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.84 2hgl s ILE 36 N 0.01 3.24 -0.38 1.82 -1.09 -1.26 -0.74 121.20 122.81 2hgl s ILE 36 Ca -0.07 -1.76 -0.14 0.00 -2.23 0.00 0.00 60.65 56.46 2hgl s ILE 36 Cb -0.14 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 2hgl s ILE 36 CO 0.04 -0.20 0.27 -2.28 -1.23 0.00 0.00 174.94 171.55 2hgl s HIS 37 N -1.91 3.23 0.00 3.97 5.65 -0.45 -4.08 115.29 121.70 2hgl s HIS 37 Ca 0.27 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.17 2hgl s HIS 37 Cb -0.08 -2.53 0.00 0.00 -1.18 0.00 0.00 32.58 28.79 2hgl s HIS 37 CO 0.16 -0.48 0.00 -0.25 -0.65 0.00 0.00 174.74 173.53 2hgl n ASP 38 N 5.13 0.00 0.00 9.88 9.92 -1.26 -3.97 116.55 136.25 2hgl n ASP 38 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 2hgl n ASP 38 Cb 0.48 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 2hgl n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hgl n GLY 39 N -2.00 1.37 0.00 0.44 0.00 -1.26 -1.63 105.19 102.12 2hgl n GLY 39 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.35 -1.17 4.61 0.00 -1.26 -4.54 120.51 119.50 2hgl n ALA 40 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2hgl n ALA 40 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.91 5.29 -1.87 0.00 0.00 -0.64 -4.19 120.51 118.19 2hgl n ALA 41 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.72 2hgl n ALA 41 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.83 0.17 2.88 0.00 0.00 -1.25 -4.76 105.19 101.40 2hgl n GLY 42 Ca 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.05 -0.18 1.61 -7.23 -1.26 -0.24 120.40 113.06 2hgl s VAL 43 Ca 0.00 0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 60.31 2hgl s VAL 43 Cb 0.00 -0.18 0.06 0.00 0.56 0.00 0.00 36.38 36.82 2hgl s VAL 43 CO 0.00 0.07 0.09 -1.00 -0.31 0.00 0.00 175.10 173.95 2hgl s HIS 44 N 1.08 0.29 0.09 2.82 0.09 0.44 -4.93 115.29 115.18 2hgl s HIS 44 Ca -0.09 -0.40 -0.28 0.00 -0.00 0.00 0.00 55.06 54.29 2hgl s HIS 44 Cb -0.11 -0.74 -0.06 0.00 -0.00 0.00 0.00 32.58 31.67 2hgl s HIS 44 CO -0.05 -0.53 0.89 -0.06 -0.00 0.00 0.00 174.74 174.99 2hgl s PHE 45 N 2.11 3.80 -0.16 1.40 0.08 -1.26 -0.86 117.98 123.08 2hgl s PHE 45 Ca 0.02 1.69 -0.16 0.00 0.12 0.00 0.00 56.93 58.61 2hgl s PHE 45 Cb -0.16 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.28 2hgl s PHE 45 CO -0.10 0.25 0.38 0.42 -0.10 0.00 0.00 175.22 176.06 2hgl s ILE 46 N -0.09 5.24 0.00 0.64 -1.09 -0.11 -4.95 121.20 120.85 2hgl s ILE 46 Ca 0.44 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 2hgl s ILE 46 Cb -0.22 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2hgl s ILE 46 CO 0.28 0.33 0.00 -1.22 -1.23 0.00 0.00 174.94 173.09 2hgl n TYR 47 N 3.89 0.00 -4.32 3.97 4.01 -1.26 -1.37 117.16 122.07 2hgl n TYR 47 Ca -0.09 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.47 2hgl n TYR 47 Cb 0.52 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 2hgl n TYR 47 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2hgl s THR 48 N 1.91 0.38 -1.24 -0.72 -4.23 -0.50 -4.38 115.64 106.87 2hgl s THR 48 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2hgl s THR 48 Cb 0.00 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2hgl s THR 48 CO 0.00 0.00 0.44 -2.11 -0.54 0.00 0.00 174.62 172.41 2hgl n ARG 49 N -0.53 0.00 0.00 3.99 1.85 -1.22 -2.65 116.66 118.09 2hgl n ARG 49 Ca 0.01 0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2hgl n ARG 49 Cb 0.65 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 2hgl n ARG 49 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2hgl n GLU 50 N -0.94 -0.66 -2.28 2.89 1.02 -1.26 -5.03 120.64 114.38 2hgl n GLU 50 Ca 0.00 -0.44 -0.00 0.00 -0.02 0.00 0.00 57.16 56.70 2hgl n GLU 50 Cb 0.03 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2hgl n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgl n GLY 51 N 0.03 0.67 3.13 0.62 0.00 -1.09 -5.06 105.19 103.49 2hgl n GLY 51 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.55 0.28 0.51 1.61 3.00 -1.26 -4.92 118.95 113.61 2hgl s ARG 52 Ca 0.00 0.46 -0.23 0.00 -1.00 0.00 0.00 55.73 54.96 2hgl s ARG 52 Cb -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 34.95 34.93 2hgl s ARG 52 CO 0.01 -0.09 1.40 -0.65 0.00 0.00 0.00 175.30 175.97 2hgl s GLN 53 N 0.60 3.36 0.00 5.12 -0.21 -1.26 -1.41 119.66 125.87 2hgl s GLN 53 Ca -0.04 2.35 0.10 0.00 0.02 0.00 0.00 55.36 57.79 2hgl s GLN 53 Cb -0.05 -2.44 0.22 0.00 1.00 0.00 0.00 33.01 31.74 2hgl s GLN 53 CO -0.04 -1.05 1.11 0.45 -2.12 0.00 0.00 175.29 173.64 2hgl n SER 54 N -0.67 2.54 -3.83 5.90 2.88 -0.47 -4.87 113.62 115.10 2hgl n SER 54 Ca 0.08 -1.83 -0.27 0.00 -1.33 0.00 0.00 58.87 55.52 2hgl n SER 54 Cb 0.43 -0.15 0.03 0.00 -0.75 0.00 0.00 64.21 63.78 2hgl n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgl n GLY 55 N 0.44 -0.42 3.20 0.46 0.00 -1.26 -4.88 105.19 102.73 2hgl n GLY 55 Ca 0.09 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.38 0.96 0.30 1.61 2.02 -1.26 -0.54 118.70 115.40 2hgl s GLU 56 Ca 0.42 -1.42 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 2hgl s GLU 56 Cb -0.21 -0.28 0.01 0.00 0.10 0.00 0.00 34.13 33.76 2hgl s GLU 56 CO 0.82 -0.04 0.60 0.00 0.02 0.00 0.00 175.26 176.66 2hgl s ALA 57 N -3.60 -0.41 -0.03 5.21 0.00 -0.36 -0.93 121.76 121.64 2hgl s ALA 57 Ca 0.17 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 2hgl s ALA 57 Cb 0.05 0.95 0.01 0.00 0.00 0.00 0.00 23.12 24.13 2hgl s ALA 57 CO -0.01 -0.92 0.17 -0.06 0.00 0.00 0.00 175.76 174.94 2hgl s PHE 58 N -3.48 -0.08 -0.23 0.00 0.40 -0.04 -0.22 117.98 114.33 2hgl s PHE 58 Ca 0.20 0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.65 2hgl s PHE 58 Cb -0.03 0.01 0.11 0.00 0.51 0.00 0.00 43.02 43.63 2hgl s PHE 58 CO 0.11 -0.22 0.30 0.08 0.70 0.00 0.00 175.22 176.19 2hgl s VAL 59 N -0.76 -0.46 -0.63 -0.44 1.01 0.93 -0.42 120.40 119.63 2hgl s VAL 59 Ca -0.09 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2hgl s VAL 59 Cb -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.58 2hgl s VAL 59 CO 0.01 -0.18 1.55 -1.61 0.00 0.00 0.00 175.10 174.87 2hgl s GLU 60 N 2.43 3.01 0.75 2.72 2.02 0.67 -0.67 118.70 129.64 2hgl s GLU 60 Ca 0.10 0.31 -0.11 0.00 0.02 0.00 0.00 54.97 55.28 2hgl s GLU 60 Cb -0.15 -4.24 0.04 0.00 0.10 0.00 0.00 34.13 29.87 2hgl s GLU 60 CO -0.15 -2.31 1.09 -0.51 0.02 0.00 0.00 175.26 173.40 2hgl s LEU 61 N 7.12 2.79 0.23 1.80 1.02 0.55 -1.34 118.68 130.84 2hgl s LEU 61 Ca 0.53 1.35 0.23 0.00 0.02 0.00 0.00 54.13 56.27 2hgl s LEU 61 Cb -0.11 -4.07 0.94 0.00 0.02 0.00 0.00 46.19 42.97 2hgl s LEU 61 CO 0.20 -1.71 1.71 0.61 0.02 0.00 0.00 176.35 177.18 2hgl n GLY 62 N -2.24 -1.32 3.83 -3.19 0.00 0.08 -3.77 105.19 98.58 2hgl n GLY 62 Ca 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.18 -0.09 0.46 1.61 1.04 -1.26 -4.85 113.70 106.43 2hgl s SER 63 Ca 0.05 -0.76 0.20 0.00 0.48 0.00 0.00 55.95 55.92 2hgl s SER 63 Cb 0.10 0.67 1.12 0.00 0.10 0.00 0.00 66.02 68.01 2hgl s SER 63 CO 0.41 -1.29 1.97 -0.08 0.98 0.00 0.00 173.24 175.23 2hgl h GLU 64 N 2.00 0.00 0.03 4.02 4.81 -1.93 -1.71 114.58 121.80 2hgl h GLU 64 Ca -0.26 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.75 2hgl h GLU 64 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2hgl h GLU 64 CO 0.32 0.21 -0.98 -0.44 -0.73 0.00 0.00 179.01 177.39 2hgl h ASP 65 N 0.00 0.19 -0.31 1.04 3.32 -1.98 -1.84 116.42 116.85 2hgl h ASP 65 Ca -0.00 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.88 2hgl h ASP 65 Cb 0.45 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2hgl h ASP 65 CO 0.03 1.06 0.19 0.44 -1.72 0.00 0.00 179.24 179.24 2hgl h ASP 66 N 0.06 0.32 -0.29 6.45 3.32 -1.83 0.19 116.42 124.64 2hgl h ASP 66 Ca -0.05 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.06 2hgl h ASP 66 Cb 1.67 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 41.07 2hgl h ASP 66 CO 0.14 0.24 -0.27 0.58 -1.72 0.00 0.00 179.24 178.21 2hgl h VAL 67 N 0.39 0.33 -0.62 -1.35 2.07 -1.24 0.56 116.25 116.39 2hgl h VAL 67 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2hgl h VAL 67 Cb -0.03 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2hgl h VAL 67 CO -0.04 0.00 0.33 0.11 0.02 0.00 0.00 177.57 177.99 2hgl h LYS 68 N -0.26 0.86 -0.53 1.57 1.57 -1.16 -0.73 116.57 117.88 2hgl h LYS 68 Ca 0.15 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2hgl h LYS 68 Cb 0.49 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2hgl h LYS 68 CO -0.44 0.64 0.06 0.52 -0.57 0.00 0.00 179.45 179.67 2hgl h MET 69 N 0.87 0.86 -0.52 3.15 2.86 -0.14 -2.76 114.93 119.25 2hgl h MET 69 Ca 0.22 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2hgl h MET 69 Cb 0.04 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2hgl h MET 69 CO -0.03 0.82 -0.05 0.00 1.06 0.00 0.00 176.91 178.71 2hgl h ALA 70 N 1.25 0.93 0.00 6.32 0.00 -0.30 -2.88 119.26 124.58 2hgl h ALA 70 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2hgl h ALA 70 Cb 0.40 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2hgl h ALA 70 CO 0.01 0.63 -0.03 -0.07 0.00 0.00 0.00 179.25 179.79 2hgl h LEU 71 N 0.83 0.00 -1.99 0.00 3.38 -0.88 -2.30 115.31 114.36 2hgl h LEU 71 Ca 0.15 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.36 2hgl h LEU 71 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2hgl h LEU 71 CO 0.03 0.03 0.62 0.11 0.09 0.00 0.00 178.44 179.32 2hgl h LYS 72 N 0.00 0.00 -0.60 1.13 1.57 -1.27 -2.18 116.57 115.22 2hgl h LYS 72 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hgl h LYS 72 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2hgl h LYS 72 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 2hgl n LYS 73 N -4.22 2.41 0.00 3.15 4.76 -0.86 -4.86 118.16 118.54 2hgl n LYS 73 Ca 0.17 -2.18 0.00 0.00 -2.87 0.00 0.00 58.31 53.43 2hgl n LYS 73 Cb 0.92 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 2hgl n LYS 73 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2hgl n ASP 74 N 1.28 0.00 -0.38 4.39 5.75 -0.82 -1.63 116.55 125.14 2hgl n ASP 74 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 2hgl n ASP 74 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2hgl n ASP 74 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2hgl n ARG 75 N -0.70 0.00 0.00 0.11 0.63 -1.23 -2.77 116.66 112.70 2hgl n ARG 75 Ca 0.00 -0.25 0.00 0.00 -0.92 0.00 0.00 57.85 56.68 2hgl n ARG 75 Cb 0.00 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 32.77 2hgl n ARG 75 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2hgl n GLU 76 N 0.00 2.50 -3.95 -0.14 -0.00 -0.65 -4.65 120.64 113.76 2hgl n GLU 76 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.06 2hgl n GLU 76 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.87 2hgl n GLU 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2hgl s SER 77 N -1.00 0.18 -0.49 -1.84 1.04 -1.26 -0.21 113.70 110.11 2hgl s SER 77 Ca 0.00 -0.40 0.07 0.00 0.48 0.00 0.00 55.95 56.09 2hgl s SER 77 Cb 0.00 0.12 0.19 0.00 0.10 0.00 0.00 66.02 66.43 2hgl s SER 77 CO 0.00 -0.30 0.67 -0.32 0.98 0.00 0.00 173.24 174.27 2hgl s MET 78 N -1.35 1.03 0.00 4.02 1.75 -0.76 -4.89 119.30 119.10 2hgl s MET 78 Ca -0.15 -1.10 0.00 0.00 -1.25 0.00 0.00 55.69 53.19 2hgl s MET 78 Cb -0.09 -0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.38 2hgl s MET 78 CO -0.00 -1.32 0.00 0.41 -0.65 0.00 0.00 175.02 173.46 2hgl n GLY 79 N 3.10 0.04 0.11 2.11 0.00 -1.26 -4.49 105.19 104.80 2hgl n GLY 79 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.62 0.00 -3.61 1.61 8.25 -1.26 -4.87 115.22 113.72 2hgl n HIS 80 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2hgl n HIS 80 Cb 0.00 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.77 1.06 0.27 -0.41 1.81 -1.26 -5.06 118.95 113.59 2hgl s ARG 81 Ca 0.00 -0.57 0.01 0.00 -1.72 0.00 0.00 55.73 53.46 2hgl s ARG 81 Cb 0.00 0.47 -0.04 0.00 -0.45 0.00 0.00 34.95 34.94 2hgl s ARG 81 CO 0.00 -0.41 0.45 0.71 -0.68 0.00 0.00 175.30 175.37 2hgl s TYR 82 N -3.40 3.48 -0.37 -0.53 2.02 -1.25 -1.82 117.35 115.48 2hgl s TYR 82 Ca 0.00 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 2hgl s TYR 82 Cb 0.01 -1.80 0.15 0.00 -0.40 0.00 0.00 41.96 39.91 2hgl s TYR 82 CO -0.09 0.28 0.25 0.42 -1.57 0.00 0.00 175.55 174.84 2hgl s ILE 83 N -2.09 0.17 0.80 2.71 -1.09 0.71 -0.93 121.20 121.47 2hgl s ILE 83 Ca 0.38 -1.93 -0.13 0.00 -2.23 0.00 0.00 60.65 56.74 2hgl s ILE 83 Cb -0.10 -1.13 0.08 0.00 -1.58 0.00 0.00 42.46 39.72 2hgl s ILE 83 CO 0.32 -1.04 1.20 -1.61 -1.23 0.00 0.00 174.94 172.57 2hgl s GLU 84 N 0.82 1.72 -0.19 2.79 2.02 0.45 -2.88 118.70 123.43 2hgl s GLU 84 Ca 0.22 1.72 -0.03 0.00 0.02 0.00 0.00 54.97 56.90 2hgl s GLU 84 Cb -0.16 -1.79 0.06 0.00 0.10 0.00 0.00 34.13 32.34 2hgl s GLU 84 CO -0.05 -2.15 0.05 0.08 0.02 0.00 0.00 175.26 173.22 2hgl s VAL 85 N -2.18 0.37 -0.01 2.63 1.01 -1.12 -2.40 120.40 118.71 2hgl s VAL 85 Ca 0.72 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 2hgl s VAL 85 Cb -0.28 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2hgl s VAL 85 CO 0.50 -0.23 0.06 -0.36 0.00 0.00 0.00 175.10 175.07 2hgl s PHE 86 N 1.93 3.24 0.23 5.22 0.08 0.32 -4.58 117.98 124.42 2hgl s PHE 86 Ca -0.00 0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.93 2hgl s PHE 86 Cb -0.17 -1.73 -0.10 0.00 -0.57 0.00 0.00 43.02 40.46 2hgl s PHE 86 CO -0.08 0.53 1.42 0.21 -0.10 0.00 0.00 175.22 177.20 2hgl s LYS 87 N -1.66 4.29 0.35 0.44 2.47 -1.26 -0.32 119.74 124.04 2hgl s LYS 87 Ca 0.22 2.25 -0.10 0.00 -1.56 0.00 0.00 55.97 56.78 2hgl s LYS 87 Cb -0.12 -3.13 0.03 0.00 -1.46 0.00 0.00 37.83 33.15 2hgl s LYS 87 CO 0.13 -0.40 0.63 -1.12 0.16 0.00 0.00 175.35 174.75 2hgl s SER 88 N 0.40 0.34 0.31 1.43 0.01 -0.70 -4.73 113.70 110.76 2hgl s SER 88 Ca 0.59 -1.22 0.03 0.00 1.31 0.00 0.00 55.95 56.66 2hgl s SER 88 Cb -0.41 0.74 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 2hgl s SER 88 CO 0.42 -1.46 0.15 -1.00 0.41 0.00 0.00 173.24 171.76 2hgl s HIS 89 N -2.89 1.61 0.13 2.43 0.09 -1.26 -3.78 115.29 111.62 2hgl s HIS 89 Ca 0.22 -1.35 -0.14 0.00 -0.00 0.00 0.00 55.06 53.80 2hgl s HIS 89 Cb -0.03 -0.88 -0.02 0.00 -0.00 0.00 0.00 32.58 31.65 2hgl s HIS 89 CO 0.14 -0.49 1.55 -0.09 -0.00 0.00 0.00 174.74 175.85 2hgl h ARG 90 N 2.21 0.78 -0.11 1.40 9.65 -1.85 -3.26 114.38 123.19 2hgl h ARG 90 Ca -0.34 -0.28 -0.02 0.00 -1.10 0.00 0.00 59.98 58.24 2hgl h ARG 90 Cb 1.25 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2hgl h ARG 90 CO 0.53 0.89 0.00 1.15 2.80 0.00 0.00 179.97 185.34 2hgl h THR 91 N 0.60 1.24 -0.02 0.20 2.02 -1.97 -1.10 112.91 113.89 2hgl h THR 91 Ca 0.11 -0.78 -0.18 0.00 0.77 0.00 0.00 66.41 66.33 2hgl h THR 91 Cb 0.58 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2hgl h THR 91 CO 0.03 0.22 -0.79 1.05 0.37 0.00 0.00 175.52 176.41 2hgl h GLU 92 N -0.06 0.21 -0.82 6.66 9.09 -2.01 -3.22 114.58 124.43 2hgl h GLU 92 Ca 0.03 -0.20 0.07 0.00 0.05 0.00 0.00 59.36 59.31 2hgl h GLU 92 Cb 0.34 0.05 -0.06 0.00 -1.65 0.00 0.00 28.75 27.43 2hgl h GLU 92 CO 0.00 0.90 0.50 1.98 0.05 0.00 0.00 179.01 182.44 2hgl h MET 93 N 0.13 0.87 0.00 1.06 4.05 -1.54 -0.10 114.93 119.39 2hgl h MET 93 Ca -0.03 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2hgl h MET 93 Cb 1.38 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 2hgl h MET 93 CO 0.12 0.57 0.00 0.22 0.23 0.00 0.00 176.91 178.06 2hgl h ASP 94 N 0.89 0.00 0.00 1.39 1.82 -1.21 -2.41 116.42 116.90 2hgl h ASP 94 Ca 0.37 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.82 2hgl h ASP 94 Cb 0.20 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.19 2hgl h ASP 94 CO -0.19 0.00 -1.00 -0.25 -1.61 0.00 0.00 179.24 176.19 2hgl h TRP 95 N 0.00 0.01 0.00 0.28 -0.00 -1.21 -3.36 115.95 111.68 2hgl h TRP 95 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 2hgl h TRP 95 Cb 0.24 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.40 2hgl h TRP 95 CO 0.00 1.39 -0.03 -0.39 -0.00 0.00 0.00 178.44 179.41 2hgl h VAL 96 N -0.98 0.07 0.00 2.65 -1.51 -0.60 0.42 116.25 116.30 2hgl h VAL 96 Ca -0.28 -0.61 -0.21 0.00 -1.23 0.00 0.00 66.70 64.37 2hgl h VAL 96 Cb 1.25 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 31.95 2hgl h VAL 96 CO -0.16 0.03 -1.03 -0.07 -1.23 0.00 0.00 177.57 175.11 2hgl h LEU 97 N 0.00 0.00 -0.53 4.19 4.07 -1.73 -3.37 115.31 117.94 2hgl h LEU 97 Ca -0.00 -0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 2hgl h LEU 97 Cb 0.56 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2hgl h LEU 97 CO 0.00 1.00 -0.27 0.50 -1.08 0.00 0.00 178.44 178.59 2hgl h LYS 98 N 0.00 0.00 -1.65 1.13 3.64 -1.08 -1.08 116.57 117.54 2hgl h LYS 98 Ca -0.02 0.00 0.48 0.00 -1.27 0.00 0.00 60.65 59.84 2hgl h LYS 98 Cb 1.78 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.53 2hgl h LYS 98 CO 0.13 0.27 1.34 1.58 -2.27 0.00 0.00 179.45 180.50 2hgl n HIS 99 N -3.26 0.00 -0.88 1.91 -0.00 -0.89 -2.68 115.22 109.41 2hgl n HIS 99 Ca 0.02 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.21 2hgl n HIS 99 Cb 0.55 -0.41 0.03 0.00 -0.12 0.00 0.00 29.99 30.04 2hgl n HIS 99 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2hgl n SER 100 N -3.66 1.07 -1.64 0.26 3.41 -0.41 -3.45 113.62 109.21 2hgl n SER 100 Ca 0.37 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 2hgl n SER 100 Cb 1.83 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 2hgl n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgl n GLY 101 N -0.43 0.67 0.00 5.00 0.00 -1.09 -4.86 105.19 104.47 2hgl n GLY 101 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27