#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 1.41 0.00 2.12 2.81 -1.22 -4.83 117.12 117.40 2hgl n MET 2 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2hgl n MET 2 Cb 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 33.22 32.39 2hgl n MET 2 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2hgl n LEU 3 N -0.13 0.17 0.00 4.03 7.94 -1.05 -4.99 117.00 122.97 2hgl n LEU 3 Ca 0.00 -0.39 0.00 0.00 -1.11 0.00 0.00 56.01 54.51 2hgl n LEU 3 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2hgl n LEU 3 CO 0.00 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 2hgl n GLY 4 N 0.43 1.98 0.26 -3.96 0.00 -1.26 -4.60 105.19 98.05 2hgl n GLY 4 Ca 0.00 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.64 2hgl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgl h PRO 5 N 0.00 0.00 -5.00 1.61 0.13 -2.00 -0.80 132.00 125.94 2hgl h PRO 5 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2hgl h PRO 5 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2hgl h PRO 5 CO 0.00 0.06 2.32 -1.91 -0.23 0.00 0.00 178.00 178.24 2hgl n GLU 6 N -3.18 2.55 0.00 0.86 0.00 -1.26 -4.89 120.64 114.72 2hgl n GLU 6 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 57.16 54.46 2hgl n GLU 6 Cb 0.34 -3.38 0.00 0.00 0.00 0.00 0.00 31.44 28.40 2hgl n GLU 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgl n GLY 7 N 4.93 0.00 0.22 8.31 0.00 -0.97 -0.61 105.19 117.06 2hgl n GLY 7 Ca 0.49 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.50 0.00 -0.02 0.00 -0.34 -0.69 105.19 103.64 2hgl n GLY 8 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.25 2.00 -1.56 1.61 -0.00 -1.26 -4.96 120.64 116.72 2hgl n GLU 9 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 2hgl n GLU 9 Cb 0.15 -0.84 0.00 0.00 -0.00 0.00 0.00 31.44 30.75 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 1.73 0.77 1.65 -1.84 0.00 -1.26 -4.97 105.19 101.26 2hgl n GLY 10 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 1.58 -2.24 1.61 3.72 -1.26 -4.72 117.46 116.15 2hgl n PHE 11 Ca 0.00 -1.88 -0.41 0.00 -0.05 0.00 0.00 57.45 55.11 2hgl n PHE 11 Cb 0.00 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 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 -3.81 2.97 -0.07 -4.37 1.01 -1.25 -0.36 120.40 114.53 2hgl s VAL 12 Ca 0.43 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.44 2hgl s VAL 12 Cb 0.39 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 2hgl s VAL 12 CO -0.02 0.23 -0.21 0.68 0.00 0.00 0.00 175.10 175.79 2hgl s VAL 13 N -1.15 1.78 0.37 2.92 -7.23 0.29 -1.40 120.40 115.98 2hgl s VAL 13 Ca 0.47 -0.89 -0.25 0.00 -1.81 0.00 0.00 61.98 59.50 2hgl s VAL 13 Cb -0.37 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.95 2hgl s VAL 13 CO 0.49 0.50 1.07 -0.75 -0.31 0.00 0.00 175.10 176.10 2hgl s LYS 14 N 0.15 4.26 -0.14 4.82 2.20 0.54 -0.13 119.74 131.44 2hgl s LYS 14 Ca -0.10 1.61 -0.01 0.00 -0.36 0.00 0.00 55.97 57.11 2hgl s LYS 14 Cb -0.15 -2.71 0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2hgl s LYS 14 CO 0.05 -0.08 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.43 2hgl s LEU 15 N -2.35 1.26 -0.05 5.43 1.43 0.67 -0.80 118.68 124.27 2hgl s LEU 15 Ca 0.55 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2hgl s LEU 15 Cb -0.25 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.26 2hgl s LEU 15 CO 0.32 -0.20 0.10 -0.60 0.23 0.00 0.00 176.35 176.19 2hgl s ARG 16 N 1.76 0.02 0.00 1.70 6.06 -0.61 -0.39 118.95 127.49 2hgl s ARG 16 Ca 0.02 0.33 0.00 0.00 -2.50 0.00 0.00 55.73 53.57 2hgl s ARG 16 Cb -0.15 -0.25 0.00 0.00 0.06 0.00 0.00 34.95 34.62 2hgl s ARG 16 CO -0.07 -0.20 0.00 0.41 -2.50 0.00 0.00 175.30 172.94 2hgl n GLY 17 N 4.43 1.67 3.14 8.12 0.00 -0.29 -0.22 105.19 122.05 2hgl n GLY 17 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.14 -4.59 0.99 4.77 0.00 -3.18 117.00 110.85 2hgl n LEU 18 Ca 0.00 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2hgl n LEU 18 Cb 0.00 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2hgl n LEU 18 CO 0.00 -5.25 0.52 -2.65 -1.33 0.00 0.00 177.39 168.68 2hgl n PRO 19 N 1.20 1.25 0.00 3.23 -0.02 -1.26 -4.20 135.00 135.20 2hgl n PRO 19 Ca 0.01 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 2hgl n PRO 19 Cb 0.55 -1.93 0.27 0.00 -0.02 0.00 0.00 33.50 32.37 2hgl n PRO 19 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2hgl n TRP 20 N -0.38 0.00 -2.74 6.00 4.27 -1.26 -1.59 117.44 121.73 2hgl n TRP 20 Ca 0.10 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.66 2hgl n TRP 20 Cb 0.38 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.39 2hgl n TRP 20 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2hgl n SER 21 N -0.99 0.78 -4.61 -0.67 2.88 -1.26 -3.53 113.62 106.23 2hgl n SER 21 Ca 0.07 -2.34 -0.31 0.00 -1.33 0.00 0.00 58.87 54.96 2hgl n SER 21 Cb 0.03 -0.20 0.18 0.00 -0.75 0.00 0.00 64.21 63.48 2hgl n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hgl s SER 23 N -2.53 0.79 0.25 0.00 1.04 -1.26 -4.97 113.70 107.02 2hgl s SER 23 Ca 0.66 -1.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.51 2hgl s SER 23 Cb -0.23 0.33 0.31 0.00 0.10 0.00 0.00 66.02 66.53 2hgl s SER 23 CO 0.60 -0.83 1.56 0.58 0.98 0.00 0.00 173.24 176.13 2hgl h VAL 24 N 2.45 0.02 0.00 5.02 2.07 -1.97 -2.52 116.25 121.32 2hgl h VAL 24 Ca -0.36 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 2hgl h VAL 24 Cb 1.25 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2hgl h VAL 24 CO 0.54 0.00 -0.34 1.05 0.02 0.00 0.00 177.57 178.84 2hgl h GLU 25 N -0.01 0.00 -0.61 1.57 4.11 -1.96 0.19 114.58 117.87 2hgl h GLU 25 Ca 0.39 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.83 2hgl h GLU 25 Cb 0.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2hgl h GLU 25 CO -0.98 0.34 0.40 0.22 0.07 0.00 0.00 179.01 179.06 2hgl h ASP 26 N 0.00 0.69 0.06 3.06 1.82 -1.95 -0.54 116.42 119.56 2hgl h ASP 26 Ca -0.00 -0.02 -0.21 0.00 -0.39 0.00 0.00 57.03 56.41 2hgl h ASP 26 Cb 0.81 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2hgl h ASP 26 CO 0.04 0.50 -0.78 1.62 -1.61 0.00 0.00 179.24 179.01 2hgl h VAL 27 N 0.82 1.33 0.00 2.25 3.04 -0.24 0.70 116.25 124.14 2hgl h VAL 27 Ca 0.23 -2.08 -0.05 0.00 -1.01 0.00 0.00 66.70 63.78 2hgl h VAL 27 Cb -0.08 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 2hgl h VAL 27 CO -0.06 0.64 -1.08 0.06 -1.01 0.00 0.00 177.57 176.13 2hgl h GLN 28 N 0.41 0.00 -0.00 4.17 3.07 -1.25 -2.76 115.11 118.74 2hgl h GLN 28 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 2hgl h GLN 28 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.95 2hgl h GLN 28 CO 0.15 0.10 -0.00 -0.97 0.09 0.00 0.00 178.83 178.19 2hgl h ASN 29 N 0.00 0.00 -0.33 0.06 -1.24 -1.10 -1.04 115.58 111.93 2hgl h ASN 29 Ca -0.05 -0.36 0.09 0.00 0.71 0.00 0.00 56.30 56.69 2hgl h ASN 29 Cb 1.18 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.22 2hgl h ASN 29 CO 0.02 0.36 0.23 0.15 -1.29 0.00 0.00 177.43 176.90 2hgl h PHE 30 N -0.36 0.04 -1.13 0.67 3.57 -0.90 -2.47 116.94 116.37 2hgl h PHE 30 Ca 0.00 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.95 2hgl h PHE 30 Cb 0.36 -0.01 -0.42 0.00 2.79 0.00 0.00 35.95 38.66 2hgl h PHE 30 CO 0.05 0.02 -0.80 1.28 -2.23 0.00 0.00 178.31 176.62 2hgl n LEU 31 N -4.45 4.54 0.15 0.59 4.77 -1.04 -4.77 117.00 116.78 2hgl n LEU 31 Ca 0.05 -4.87 0.10 0.00 -0.03 0.00 0.00 56.01 51.26 2hgl n LEU 31 Cb 0.38 -0.33 0.53 0.00 -2.33 0.00 0.00 43.42 41.67 2hgl n LEU 31 CO 0.36 2.11 0.80 -0.24 -1.33 0.00 0.00 177.39 179.08 2hgl n SER 32 N -0.56 0.51 0.27 -1.43 2.88 -0.40 -0.75 113.62 114.13 2hgl n SER 32 Ca 0.39 0.73 0.14 0.00 -1.33 0.00 0.00 58.87 58.80 2hgl n SER 32 Cb 0.80 -0.80 0.84 0.00 -0.75 0.00 0.00 64.21 64.30 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 -4.08 -3.46 5.19 -1.86 -3.48 116.42 108.73 2hgl h ASP 33 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 2hgl h ASP 33 Cb 0.02 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 39.32 2hgl h ASP 33 CO 0.00 0.00 -0.80 0.00 -3.12 0.00 0.00 179.24 175.32 2hgl s THR 35 N -1.48 5.18 0.50 0.00 2.01 -1.26 -5.03 115.64 115.56 2hgl s THR 35 Ca 0.07 0.57 -0.05 0.00 0.31 0.00 0.00 61.69 62.60 2hgl s THR 35 Cb -0.08 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2hgl s THR 35 CO 0.04 0.18 0.80 -0.63 -0.69 0.00 0.00 174.62 174.32 2hgl s ILE 36 N 1.94 4.60 -1.70 1.82 -1.09 -1.26 -0.63 121.20 124.88 2hgl s ILE 36 Ca 0.15 0.10 0.11 0.00 -2.23 0.00 0.00 60.65 58.79 2hgl s ILE 36 Cb -0.16 -3.76 0.26 0.00 -1.58 0.00 0.00 42.46 37.22 2hgl s ILE 36 CO 0.09 -0.73 1.19 1.57 -1.23 0.00 0.00 174.94 175.83 2hgl n HIS 37 N -2.31 0.00 0.12 3.97 -0.00 -1.18 -4.10 115.22 111.72 2hgl n HIS 37 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2hgl n HIS 37 Cb 0.56 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 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 -1.15 -1.88 0.00 0.26 2.03 -1.26 -4.90 116.55 109.65 2hgl n ASP 38 Ca 0.07 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2hgl n ASP 38 Cb 0.07 1.96 0.00 0.00 -0.72 0.00 0.00 41.12 42.42 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 -0.92 3.37 0.00 0.27 0.00 -1.26 -4.87 105.19 101.77 2hgl n GLY 39 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.08 1.10 4.61 0.00 -1.26 -4.80 120.51 121.24 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 0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.80 2.55 0.00 0.00 0.00 -1.26 -2.16 120.51 118.84 2hgl n ALA 41 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2hgl n ALA 41 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.14 0.71 3.91 0.00 0.00 -1.26 -4.77 105.19 103.91 2hgl n GLY 42 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.91 5.05 -0.14 1.61 -7.23 -0.92 0.00 120.40 117.87 2hgl s VAL 43 Ca 0.00 0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.01 2hgl s VAL 43 Cb 0.00 -3.73 0.04 0.00 0.56 0.00 0.00 36.38 33.26 2hgl s VAL 43 CO 0.00 -0.28 0.45 -1.00 -0.31 0.00 0.00 175.10 173.95 2hgl s HIS 44 N -2.03 -0.46 -0.02 2.82 0.09 0.45 -4.96 115.29 111.17 2hgl s HIS 44 Ca 0.43 1.06 0.08 0.00 -0.00 0.00 0.00 55.06 56.63 2hgl s HIS 44 Cb -0.11 0.17 -0.02 0.00 -0.00 0.00 0.00 32.58 32.63 2hgl s HIS 44 CO 0.29 -0.29 -0.26 -0.06 -0.00 0.00 0.00 174.74 174.43 2hgl s PHE 45 N -0.10 2.31 0.04 1.40 0.40 -1.26 -0.93 117.98 119.84 2hgl s PHE 45 Ca -0.03 -0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 55.69 2hgl s PHE 45 Cb -0.03 -1.49 -0.06 0.00 0.51 0.00 0.00 43.02 41.94 2hgl s PHE 45 CO 0.02 -0.06 0.45 0.42 0.70 0.00 0.00 175.22 176.75 2hgl s ILE 46 N -0.56 4.97 -0.18 0.64 -1.09 -0.54 -4.96 121.20 119.48 2hgl s ILE 46 Ca 0.09 0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 59.32 2hgl s ILE 46 Cb -0.10 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 37.10 2hgl s ILE 46 CO -0.01 0.50 0.06 -0.31 -1.23 0.00 0.00 174.94 173.95 2hgl s TYR 47 N -1.17 0.68 1.30 3.97 1.51 -1.26 -0.84 117.35 121.54 2hgl s TYR 47 Ca 0.27 -0.62 -0.21 0.00 -1.01 0.00 0.00 57.07 55.50 2hgl s TYR 47 Cb -0.17 -0.88 0.32 0.00 -0.11 0.00 0.00 41.96 41.12 2hgl s TYR 47 CO 0.16 -0.56 1.05 0.95 -1.11 0.00 0.00 175.55 176.03 2hgl s THR 48 N 1.98 1.41 0.61 -0.71 -4.23 0.20 -4.79 115.64 110.10 2hgl s THR 48 Ca 0.00 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.83 2hgl s THR 48 Cb -0.17 -2.34 0.37 0.00 1.34 0.00 0.00 72.50 71.70 2hgl s THR 48 CO -0.08 0.00 2.14 0.03 -0.54 0.00 0.00 174.62 176.17 2hgl h ARG 49 N -2.96 0.00 0.00 3.99 3.08 -2.01 -1.59 114.38 114.90 2hgl h ARG 49 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2hgl h ARG 49 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2hgl h ARG 49 CO 0.29 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.58 2hgl n GLU 50 N -3.62 0.02 -2.67 0.04 4.71 -1.26 -4.92 120.64 112.93 2hgl n GLU 50 Ca -0.00 0.16 -0.05 0.00 -0.01 0.00 0.00 57.16 57.26 2hgl n GLU 50 Cb 0.26 -1.53 0.02 0.00 -1.01 0.00 0.00 31.44 29.18 2hgl n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hgl n GLY 51 N 0.65 0.56 3.28 0.62 0.00 -0.60 -5.06 105.19 104.64 2hgl n GLY 51 Ca 0.05 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.12 0.70 0.01 1.61 3.52 -1.26 -4.93 118.95 113.48 2hgl s ARG 52 Ca 0.11 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.34 2hgl s ARG 52 Cb -0.05 0.31 -0.07 0.00 -1.56 0.00 0.00 34.95 33.59 2hgl s ARG 52 CO 0.16 -0.19 1.59 -0.65 -0.81 0.00 0.00 175.30 175.40 2hgl s GLN 53 N -1.16 4.21 0.00 5.12 1.11 -1.23 -0.63 119.66 127.08 2hgl s GLN 53 Ca -0.12 2.19 0.00 0.00 0.01 0.00 0.00 55.36 57.44 2hgl s GLN 53 Cb -0.04 -3.72 0.00 0.00 -1.01 0.00 0.00 33.01 28.24 2hgl s GLN 53 CO 0.05 -0.73 0.66 0.45 0.01 0.00 0.00 175.29 175.73 2hgl n SER 54 N 6.03 0.09 -2.12 5.90 2.88 -0.02 -4.49 113.62 121.89 2hgl n SER 54 Ca 0.16 -1.42 -0.16 0.00 -1.33 0.00 0.00 58.87 56.12 2hgl n SER 54 Cb 0.42 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.20 0.15 3.01 0.46 0.00 -1.26 -4.95 105.19 102.80 2hgl n GLY 55 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2hgl n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hgl s GLU 56 N -4.51 0.39 0.26 1.61 2.12 -1.26 -1.13 118.70 116.17 2hgl s GLU 56 Ca 0.00 -0.74 -0.21 0.00 0.36 0.00 0.00 54.97 54.38 2hgl s GLU 56 Cb 0.00 0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.53 2hgl s GLU 56 CO 0.00 -0.05 0.83 0.00 -0.54 0.00 0.00 175.26 175.50 2hgl s ALA 57 N -1.93 -1.28 -0.06 6.30 0.00 0.48 -1.46 121.76 123.81 2hgl s ALA 57 Ca -0.11 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 2hgl s ALA 57 Cb -0.07 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.83 2hgl s ALA 57 CO -0.03 -1.03 0.27 -0.06 0.00 0.00 0.00 175.76 174.91 2hgl s PHE 58 N -3.27 -0.21 -0.21 0.00 0.40 -0.11 -0.24 117.98 114.34 2hgl s PHE 58 Ca 0.13 0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 56.87 2hgl s PHE 58 Cb -0.04 0.08 0.09 0.00 0.51 0.00 0.00 43.02 43.65 2hgl s PHE 58 CO 0.06 -0.25 0.19 0.08 0.70 0.00 0.00 175.22 176.00 2hgl s VAL 59 N -0.60 -0.26 -0.42 -0.44 1.01 0.82 -0.41 120.40 120.10 2hgl s VAL 59 Ca -0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 2hgl s VAL 59 Cb -0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.56 2hgl s VAL 59 CO 0.02 -0.29 2.36 -0.62 0.00 0.00 0.00 175.10 176.57 2hgl n GLU 60 N 5.30 1.26 -0.97 2.72 4.71 0.10 -0.55 120.64 133.22 2hgl n GLU 60 Ca -0.06 0.19 -0.30 0.00 -0.01 0.00 0.00 57.16 56.99 2hgl n GLU 60 Cb 0.49 -3.17 0.23 0.00 -1.01 0.00 0.00 31.44 27.98 2hgl n GLU 60 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2hgl s LEU 61 N 10.36 0.65 0.00 -4.62 1.43 0.51 -3.10 118.68 123.92 2hgl s LEU 61 Ca 1.03 0.84 0.25 0.00 -1.03 0.00 0.00 54.13 55.21 2hgl s LEU 61 Cb -0.36 -2.64 0.41 0.00 0.03 0.00 0.00 46.19 43.63 2hgl s LEU 61 CO 0.33 -4.09 1.35 0.61 0.23 0.00 0.00 176.35 174.77 2hgl n GLY 62 N -0.55 -0.21 3.82 -3.19 0.00 0.20 -3.47 105.19 101.79 2hgl n GLY 62 Ca 0.10 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.44 -0.17 0.47 1.61 1.04 -1.26 -4.79 113.70 108.16 2hgl s SER 63 Ca 0.23 -0.65 0.28 0.00 0.48 0.00 0.00 55.95 56.28 2hgl s SER 63 Cb 0.19 0.66 0.83 0.00 0.10 0.00 0.00 66.02 67.80 2hgl s SER 63 CO 0.52 -1.25 1.78 -0.08 0.98 0.00 0.00 173.24 175.19 2hgl h GLU 64 N 2.00 0.00 0.00 4.02 4.81 -1.91 -1.60 114.58 121.90 2hgl h GLU 64 Ca -0.23 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.90 2hgl h GLU 64 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2hgl h GLU 64 CO 0.28 0.00 -0.45 -0.44 -0.73 0.00 0.00 179.01 177.67 2hgl h ASP 65 N 0.00 0.00 -0.49 1.04 5.19 -1.98 -0.72 116.42 119.46 2hgl h ASP 65 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2hgl h ASP 65 Cb 0.75 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 2hgl h ASP 65 CO 0.00 0.45 0.16 0.44 -3.12 0.00 0.00 179.24 177.17 2hgl h ASP 66 N 0.00 0.72 -0.20 6.45 3.32 -1.76 -0.56 116.42 124.39 2hgl h ASP 66 Ca -0.00 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.89 2hgl h ASP 66 Cb 0.82 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 2hgl h ASP 66 CO 0.06 0.73 -0.13 -0.37 -1.72 0.00 0.00 179.24 177.81 2hgl h VAL 67 N 0.67 0.62 -0.80 -1.35 -1.51 -0.72 -1.17 116.25 111.99 2hgl h VAL 67 Ca 0.16 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.73 2hgl h VAL 67 Cb 0.26 0.62 -0.07 0.00 -2.13 0.00 0.00 31.29 29.97 2hgl h VAL 67 CO -0.01 0.00 0.45 0.11 -1.23 0.00 0.00 177.57 176.89 2hgl h LYS 68 N -0.12 0.73 0.00 5.19 1.57 -1.15 0.21 116.57 122.99 2hgl h LYS 68 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2hgl h LYS 68 Cb 0.29 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2hgl h LYS 68 CO -0.27 0.48 -0.05 0.52 -0.57 0.00 0.00 179.45 179.56 2hgl h MET 69 N 0.75 0.00 0.06 3.15 2.86 -0.44 -2.05 114.93 119.26 2hgl h MET 69 Ca 0.39 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.73 2hgl h MET 69 Cb 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2hgl h MET 69 CO -0.25 0.05 -1.59 0.00 1.06 0.00 0.00 176.91 176.17 2hgl h ALA 70 N 1.95 0.49 0.00 6.32 0.00 0.08 -3.36 119.26 124.74 2hgl h ALA 70 Ca -0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 54.91 53.61 2hgl h ALA 70 Cb 0.10 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2hgl h ALA 70 CO 0.01 1.35 -0.22 -0.07 0.00 0.00 0.00 179.25 180.31 2hgl h LEU 71 N 0.03 0.00 -1.36 0.00 3.38 -0.27 -2.18 115.31 114.91 2hgl h LEU 71 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2hgl h LEU 71 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2hgl h LEU 71 CO 0.12 0.22 0.00 0.07 0.09 0.00 0.00 178.44 178.93 2hgl h LYS 72 N 0.00 0.00 -0.51 1.13 2.10 -1.53 -1.34 116.57 116.42 2hgl h LYS 72 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hgl h LYS 72 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2hgl h LYS 72 CO 0.03 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.11 2hgl n LYS 73 N -2.34 3.24 0.00 0.07 4.76 -0.82 -4.89 118.16 118.17 2hgl n LYS 73 Ca -0.01 -2.62 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 2hgl n LYS 73 Cb 0.10 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.63 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 0.75 0.00 -1.25 4.39 5.75 -0.51 -1.67 116.55 124.02 2hgl n ASP 74 Ca 0.21 -0.19 -0.04 0.00 -0.01 0.00 0.00 54.79 54.76 2hgl n ASP 74 Cb 0.72 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.78 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 -0.55 0.09 -0.09 0.11 0.63 -1.23 -2.80 116.66 112.83 2hgl n ARG 75 Ca 0.00 -1.34 -0.05 0.00 -0.92 0.00 0.00 57.85 55.54 2hgl n ARG 75 Cb 0.00 0.32 0.05 0.00 0.45 0.00 0.00 32.46 33.28 2hgl n ARG 75 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2hgl n GLU 76 N 0.06 -2.10 -4.25 -0.14 -0.58 -0.67 -4.73 120.64 108.23 2hgl n GLU 76 Ca -0.17 -0.26 -0.19 0.00 -0.42 0.00 0.00 57.16 56.11 2hgl n GLU 76 Cb 0.84 -0.31 -0.11 0.00 -0.57 0.00 0.00 31.44 31.29 2hgl n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2hgl s SER 77 N -2.12 2.13 -0.19 1.62 1.04 -1.26 -0.53 113.70 114.39 2hgl s SER 77 Ca 0.12 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 55.73 2hgl s SER 77 Cb -0.02 -0.09 0.10 0.00 0.10 0.00 0.00 66.02 66.11 2hgl s SER 77 CO 0.09 -0.09 0.33 -0.32 0.98 0.00 0.00 173.24 174.24 2hgl s MET 78 N -2.45 0.26 1.21 4.02 1.75 -0.66 -4.85 119.30 118.57 2hgl s MET 78 Ca 0.08 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 2hgl s MET 78 Cb -0.06 -0.24 0.00 0.00 2.84 0.00 0.00 34.83 37.37 2hgl s MET 78 CO 0.04 -0.44 0.00 0.41 -0.65 0.00 0.00 175.02 174.38 2hgl n GLY 79 N 5.36 -1.93 1.06 2.11 0.00 -1.26 -4.20 105.19 106.33 2hgl n GLY 79 Ca -0.06 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.12 0.00 -3.78 1.61 -0.00 -1.26 -4.81 115.22 106.86 2hgl n HIS 80 Ca 0.00 -0.34 -0.13 0.00 -0.00 0.00 0.00 57.72 57.25 2hgl n HIS 80 Cb 0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.99 29.68 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2hgl s ARG 81 N 0.41 0.56 0.24 -0.41 1.81 -1.26 -5.06 118.95 115.24 2hgl s ARG 81 Ca 0.00 -0.05 -0.10 0.00 -1.72 0.00 0.00 55.73 53.86 2hgl s ARG 81 Cb 0.00 0.25 -0.07 0.00 -0.45 0.00 0.00 34.95 34.68 2hgl s ARG 81 CO 0.00 -0.14 0.56 0.71 -0.68 0.00 0.00 175.30 175.76 2hgl s TYR 82 N -0.94 3.42 -0.52 -0.53 2.02 -1.19 -1.66 117.35 117.95 2hgl s TYR 82 Ca -0.10 0.89 0.05 0.00 -0.37 0.00 0.00 57.07 57.55 2hgl s TYR 82 Cb -0.05 -2.28 0.20 0.00 -0.40 0.00 0.00 41.96 39.43 2hgl s TYR 82 CO 0.03 0.25 0.48 -0.89 -1.57 0.00 0.00 175.55 173.85 2hgl n ILE 83 N -0.17 0.21 -1.90 2.71 2.08 0.31 -0.82 119.36 121.79 2hgl n ILE 83 Ca 0.01 -4.21 -0.40 0.00 0.56 0.00 0.00 62.75 58.70 2hgl n ILE 83 Cb 0.52 -1.93 -0.00 0.00 -0.75 0.00 0.00 39.64 37.49 2hgl n ILE 83 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2hgl s GLU 84 N -1.00 4.03 -0.42 0.38 2.02 0.70 -2.85 118.70 121.55 2hgl s GLU 84 Ca 0.32 2.41 0.02 0.00 0.02 0.00 0.00 54.97 57.74 2hgl s GLU 84 Cb 0.06 -2.88 0.13 0.00 0.10 0.00 0.00 34.13 31.54 2hgl s GLU 84 CO -0.15 -0.53 0.20 0.08 0.02 0.00 0.00 175.26 174.88 2hgl s VAL 85 N -1.17 1.57 0.25 2.63 1.01 -1.12 -1.57 120.40 122.00 2hgl s VAL 85 Ca 0.55 -2.47 -0.20 0.00 0.00 0.00 0.00 61.98 59.86 2hgl s VAL 85 Cb -0.43 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 2hgl s VAL 85 CO 0.58 -0.82 0.75 -0.36 0.00 0.00 0.00 175.10 175.24 2hgl s PHE 86 N 0.50 3.61 0.40 5.22 0.40 0.02 -4.55 117.98 123.58 2hgl s PHE 86 Ca 0.16 1.41 -0.26 0.00 -0.60 0.00 0.00 56.93 57.64 2hgl s PHE 86 Cb -0.23 -2.64 -0.09 0.00 0.51 0.00 0.00 43.02 40.57 2hgl s PHE 86 CO -0.04 0.28 1.24 0.21 0.70 0.00 0.00 175.22 177.61 2hgl s LYS 87 N -2.14 4.02 0.19 0.44 2.20 -1.26 -0.34 119.74 122.85 2hgl s LYS 87 Ca 0.46 2.00 -0.14 0.00 -0.36 0.00 0.00 55.97 57.93 2hgl s LYS 87 Cb -0.16 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 33.44 2hgl s LYS 87 CO 0.21 -0.40 0.44 -1.12 -0.36 0.00 0.00 175.35 174.11 2hgl s SER 88 N -0.92 -0.13 0.03 1.43 0.01 -0.49 -4.66 113.70 108.96 2hgl s SER 88 Ca 0.57 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 57.18 2hgl s SER 88 Cb -0.35 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.40 2hgl s SER 88 CO 0.44 -1.01 -0.08 -1.00 0.41 0.00 0.00 173.24 171.99 2hgl s HIS 89 N -3.92 0.72 0.42 2.43 3.76 -1.26 -3.75 115.29 113.69 2hgl s HIS 89 Ca 0.13 -0.39 0.09 0.00 -0.15 0.00 0.00 55.06 54.74 2hgl s HIS 89 Cb 0.00 -0.43 0.90 0.00 1.11 0.00 0.00 32.58 34.16 2hgl s HIS 89 CO -0.00 -0.04 2.04 -0.09 -0.85 0.00 0.00 174.74 175.79 2hgl h ARG 90 N 4.87 0.50 -0.36 1.40 2.43 -1.95 -2.83 114.38 118.44 2hgl h ARG 90 Ca -0.35 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.86 2hgl h ARG 90 Cb 1.20 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.55 2hgl h ARG 90 CO 0.43 0.33 -0.39 1.79 -1.51 0.00 0.00 179.97 180.62 2hgl h THR 91 N 0.52 0.15 0.00 0.20 1.35 -2.00 0.16 112.91 113.29 2hgl h THR 91 Ca 0.18 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.88 2hgl h THR 91 Cb 0.07 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 66.62 2hgl h THR 91 CO -0.04 0.00 -0.74 -0.33 -0.25 0.00 0.00 175.52 174.16 2hgl h GLU 92 N -0.33 0.00 -0.44 4.72 3.07 -1.99 -3.29 114.58 116.32 2hgl h GLU 92 Ca 0.14 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 2hgl h GLU 92 Cb 0.58 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 2hgl h GLU 92 CO -0.54 0.74 0.05 1.98 -1.40 0.00 0.00 179.01 179.85 2hgl h MET 93 N 0.00 0.74 0.00 2.33 4.05 -1.13 -3.00 114.93 117.91 2hgl h MET 93 Ca -0.01 -0.21 -0.03 0.00 -0.28 0.00 0.00 59.70 59.18 2hgl h MET 93 Cb 1.51 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.23 2hgl h MET 93 CO 0.10 0.78 -0.12 0.22 0.23 0.00 0.00 176.91 178.11 2hgl h ASP 94 N 0.59 0.00 0.56 1.39 1.82 -0.79 -2.01 116.42 117.99 2hgl h ASP 94 Ca 0.13 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 2hgl h ASP 94 Cb 0.41 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.42 2hgl h ASP 94 CO 0.01 0.12 -0.27 -0.25 -1.61 0.00 0.00 179.24 177.24 2hgl h TRP 95 N 0.00 -0.70 0.00 0.28 -0.00 -1.68 -3.39 115.95 110.46 2hgl h TRP 95 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.84 2hgl h TRP 95 Cb 0.22 0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.61 2hgl h TRP 95 CO 0.00 -0.44 -0.13 -0.39 -0.00 0.00 0.00 178.44 177.48 2hgl h VAL 96 N -1.05 0.56 0.00 2.65 -1.51 -1.22 -0.70 116.25 114.98 2hgl h VAL 96 Ca -0.08 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2hgl h VAL 96 Cb 0.58 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2hgl h VAL 96 CO 0.13 0.13 0.00 -0.07 -1.23 0.00 0.00 177.57 176.53 2hgl h LEU 97 N 0.00 0.00 -5.06 4.19 4.07 -1.70 -3.40 115.31 113.41 2hgl h LEU 97 Ca -0.00 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.65 2hgl h LEU 97 Cb 0.39 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 41.79 2hgl h LEU 97 CO 0.02 0.00 -0.97 1.17 -1.08 0.00 0.00 178.44 177.58 2hgl n LYS 98 N -2.84 1.24 -0.05 1.13 4.81 -0.27 -4.78 118.16 117.40 2hgl n LYS 98 Ca 0.00 -2.90 0.01 0.00 -0.87 0.00 0.00 58.31 54.55 2hgl n LYS 98 Cb 0.23 -0.96 0.03 0.00 0.02 0.00 0.00 35.03 34.35 2hgl n LYS 98 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2hgl n HIS 99 N -0.31 0.12 -1.25 5.64 1.44 -1.25 -2.21 115.22 117.39 2hgl n HIS 99 Ca 0.05 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2hgl n HIS 99 Cb 0.83 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.88 2hgl n HIS 99 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2hgl n SER 100 N -0.17 0.00 -3.95 4.39 3.41 -1.26 -5.11 113.62 110.93 2hgl n SER 100 Ca 0.02 -1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 57.44 2hgl n SER 100 Cb 0.16 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 2hgl n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2hgl s GLY 101 N -0.11 0.35 0.00 5.00 0.00 -0.94 -5.31 107.32 106.32 2hgl s GLY 101 Ca 0.00 -0.70 0.23 0.00 0.00 0.00 0.00 44.72 44.25 2hgl s GLY 101 CO 0.00 -0.49 1.75 -1.55 0.00 0.00 0.00 173.10 172.81