#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 2.09 0.00 2.12 2.00 -1.26 -4.96 117.12 117.11 2hgl n MET 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2hgl n MET 2 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 33.22 32.45 2hgl n MET 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2hgl n LEU 3 N -1.35 0.00 0.00 4.03 7.94 -1.26 -5.18 117.00 121.18 2hgl n LEU 3 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2hgl n LEU 3 Cb 0.27 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.22 2hgl n LEU 3 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2hgl n GLY 4 N 0.00 2.96 0.38 -3.96 0.00 -1.26 -4.99 105.19 98.32 2hgl n GLY 4 Ca 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.18 2hgl n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgl n PRO 5 N -0.07 1.49 -0.78 1.61 -0.04 -1.26 -5.10 135.00 130.85 2hgl n PRO 5 Ca 0.00 -0.75 -0.33 0.00 -0.04 0.00 0.00 63.50 62.38 2hgl n PRO 5 Cb 0.00 -1.27 0.13 0.00 -0.04 0.00 0.00 33.50 32.32 2hgl n PRO 5 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2hgl n GLU 6 N 0.03 -0.64 -3.17 0.54 -0.00 -1.26 -4.65 120.64 111.49 2hgl n GLU 6 Ca 0.12 -0.16 -0.10 0.00 -0.00 0.00 0.00 57.16 57.02 2hgl n GLU 6 Cb 0.21 -1.71 0.01 0.00 -0.00 0.00 0.00 31.44 29.95 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 1.88 -1.13 0.00 -1.84 0.00 -1.26 -0.12 105.19 102.72 2hgl n GLY 7 Ca 0.04 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -1.18 -1.61 0.14 -0.02 0.00 -1.26 -0.91 105.19 100.34 2hgl n GLY 8 Ca -0.03 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 44.99 2hgl n GLY 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hgl h GLU 9 N 0.00 0.00 -3.42 1.61 -0.00 -1.95 -3.46 114.58 107.36 2hgl h GLU 9 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.24 2hgl h GLU 9 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 28.75 28.57 2hgl h GLU 9 CO 0.00 0.15 -0.37 0.20 -0.00 0.00 0.00 179.01 179.00 2hgl s GLY 10 N -4.45 -0.02 -0.00 1.06 0.00 -1.26 -4.91 107.32 97.74 2hgl s GLY 10 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 2hgl s GLY 10 CO 0.76 -0.28 2.54 0.69 0.00 0.00 0.00 173.10 176.81 2hgl n PHE 11 N 0.93 0.01 -2.13 1.90 3.72 -1.26 -4.20 117.46 116.42 2hgl n PHE 11 Ca -0.20 -1.17 -0.41 0.00 -0.05 0.00 0.00 57.45 55.62 2hgl n PHE 11 Cb 0.58 -0.87 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 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 0.32 2.79 -0.09 -4.37 1.01 -1.26 -0.50 120.40 118.31 2hgl s VAL 12 Ca 0.22 0.76 0.03 0.00 0.00 0.00 0.00 61.98 63.00 2hgl s VAL 12 Cb 0.11 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2hgl s VAL 12 CO -0.00 0.17 -0.19 0.68 0.00 0.00 0.00 175.10 175.76 2hgl s VAL 13 N -0.87 2.58 0.42 2.92 -7.23 0.36 -1.24 120.40 117.35 2hgl s VAL 13 Ca 0.51 -0.86 -0.22 0.00 -1.81 0.00 0.00 61.98 59.60 2hgl s VAL 13 Cb -0.39 -2.01 -0.11 0.00 0.56 0.00 0.00 36.38 34.43 2hgl s VAL 13 CO 0.50 0.56 0.95 -0.75 -0.31 0.00 0.00 175.10 176.04 2hgl s LYS 14 N -0.02 4.27 -0.02 4.82 2.20 0.64 -0.16 119.74 131.47 2hgl s LYS 14 Ca -0.06 1.15 0.05 0.00 -0.36 0.00 0.00 55.97 56.76 2hgl s LYS 14 Cb -0.15 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2hgl s LYS 14 CO 0.05 0.00 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.34 2hgl s LEU 15 N -3.04 2.01 -0.04 5.43 1.02 0.57 -0.74 118.68 123.89 2hgl s LEU 15 Ca 0.61 -0.35 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 2hgl s LEU 15 Cb -0.10 -0.97 0.02 0.00 0.02 0.00 0.00 46.19 45.15 2hgl s LEU 15 CO 0.14 0.21 0.09 -0.60 0.02 0.00 0.00 176.35 176.22 2hgl s ARG 16 N -0.32 0.06 0.00 1.70 3.00 -0.03 -0.97 118.95 122.39 2hgl s ARG 16 Ca 0.04 0.21 0.00 0.00 -1.00 0.00 0.00 55.73 54.98 2hgl s ARG 16 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 34.95 34.77 2hgl s ARG 16 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.30 175.61 2hgl n GLY 17 N 3.67 0.98 3.19 8.12 0.00 0.43 -0.24 105.19 121.34 2hgl n GLY 17 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.74 -4.52 0.99 -0.00 -0.06 -4.19 117.00 105.47 2hgl n LEU 18 Ca 0.00 0.42 -0.34 0.00 -0.00 0.00 0.00 56.01 56.09 2hgl n LEU 18 Cb 0.00 -0.89 0.10 0.00 -0.00 0.00 0.00 43.42 42.63 2hgl n LEU 18 CO 0.00 -4.99 0.25 -2.65 -0.00 0.00 0.00 177.39 170.00 2hgl n PRO 19 N 1.37 0.10 0.00 1.47 -0.02 -1.26 -4.23 135.00 132.43 2hgl n PRO 19 Ca 0.04 0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.64 2hgl n PRO 19 Cb 0.52 -2.03 0.17 0.00 -0.02 0.00 0.00 33.50 32.14 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 -3.01 0.00 -2.16 6.00 7.02 -1.26 -2.59 117.44 121.43 2hgl n TRP 20 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 2hgl n TRP 20 Cb 0.51 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.40 2hgl n TRP 20 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2hgl n SER 21 N -0.69 0.16 -4.55 -0.99 3.41 -1.26 -4.31 113.62 105.40 2hgl n SER 21 Ca 0.04 -1.83 -0.32 0.00 -0.26 0.00 0.00 58.87 56.51 2hgl n SER 21 Cb 0.02 -0.12 0.16 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.37 -0.04 0.53 0.00 1.04 -1.26 -5.04 113.70 106.56 2hgl s SER 23 Ca 0.63 -0.99 0.44 0.00 0.48 0.00 0.00 55.95 56.52 2hgl s SER 23 Cb -0.22 0.53 1.65 0.00 0.10 0.00 0.00 66.02 68.08 2hgl s SER 23 CO 0.62 -1.05 1.61 0.58 0.98 0.00 0.00 173.24 175.98 2hgl h VAL 24 N 2.36 0.07 0.00 5.02 2.07 -1.97 0.14 116.25 123.93 2hgl h VAL 24 Ca -0.29 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 2hgl h VAL 24 Cb 1.25 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2hgl h VAL 24 CO 0.40 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 177.17 2hgl h GLU 25 N 0.01 0.00 0.00 1.57 3.07 -1.96 -3.09 114.58 114.18 2hgl h GLU 25 Ca 0.88 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.66 2hgl h GLU 25 Cb 3.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 31.23 2hgl h GLU 25 CO -0.12 0.49 -0.90 0.22 -1.40 0.00 0.00 179.01 177.30 2hgl h ASP 26 N 0.00 0.00 0.26 1.42 3.58 -1.20 -1.06 116.42 119.41 2hgl h ASP 26 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.10 2hgl h ASP 26 Cb 1.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2hgl h ASP 26 CO 0.06 0.28 -1.72 1.62 -2.88 0.00 0.00 179.24 176.60 2hgl h VAL 27 N 0.00 0.96 0.00 2.25 3.04 -1.26 -1.00 116.25 120.24 2hgl h VAL 27 Ca -0.05 -2.57 -0.06 0.00 -1.01 0.00 0.00 66.70 63.01 2hgl h VAL 27 Cb 1.26 2.73 -0.01 0.00 -2.01 0.00 0.00 31.29 33.26 2hgl h VAL 27 CO 0.03 0.84 -0.27 1.56 -1.01 0.00 0.00 177.57 178.71 2hgl h GLN 28 N 0.09 0.00 0.07 4.17 4.20 -1.66 -0.19 115.11 121.80 2hgl h GLN 28 Ca -0.33 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 2hgl h GLN 28 Cb 2.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.85 2hgl h GLN 28 CO 0.16 0.27 -0.03 -0.97 -0.67 0.00 0.00 178.83 177.59 2hgl h ASN 29 N 0.00 -0.08 -0.64 1.46 -1.24 -1.21 -0.88 115.58 112.99 2hgl h ASN 29 Ca -0.00 -0.43 0.13 0.00 0.71 0.00 0.00 56.30 56.70 2hgl h ASN 29 Cb 0.92 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.96 2hgl h ASN 29 CO 0.04 0.41 0.43 0.15 -1.29 0.00 0.00 177.43 177.17 2hgl h PHE 30 N -0.60 0.36 -0.97 0.67 3.57 -1.07 -2.84 116.94 116.06 2hgl h PHE 30 Ca -0.01 0.01 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 2hgl h PHE 30 Cb 0.51 -0.12 -0.42 0.00 2.79 0.00 0.00 35.95 38.71 2hgl h PHE 30 CO 0.09 0.15 -0.87 1.28 -2.23 0.00 0.00 178.31 176.73 2hgl n LEU 31 N -4.46 4.04 0.13 0.59 4.77 -0.09 -4.63 117.00 117.35 2hgl n LEU 31 Ca 0.11 -4.55 0.08 0.00 -0.03 0.00 0.00 56.01 51.62 2hgl n LEU 31 Cb 0.48 -0.19 0.42 0.00 -2.33 0.00 0.00 43.42 41.80 2hgl n LEU 31 CO 0.34 1.94 0.75 -0.24 -1.33 0.00 0.00 177.39 178.86 2hgl n SER 32 N -0.56 0.40 0.32 -1.43 2.88 -0.34 -1.02 113.62 113.88 2hgl n SER 32 Ca 0.34 0.67 0.20 0.00 -1.33 0.00 0.00 58.87 58.74 2hgl n SER 32 Cb 0.83 -0.70 1.10 0.00 -0.75 0.00 0.00 64.21 64.69 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 -4.97 -3.46 5.19 -1.86 -3.49 116.42 107.83 2hgl h ASP 33 Ca 0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 2hgl h ASP 33 Cb 0.10 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.46 2hgl h ASP 33 CO 0.00 0.00 -0.68 0.00 -3.12 0.00 0.00 179.24 175.44 2hgl s THR 35 N -3.80 4.27 0.30 0.00 2.01 -1.26 -5.04 115.64 112.12 2hgl s THR 35 Ca 0.10 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.92 2hgl s THR 35 Cb 0.07 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2hgl s THR 35 CO -0.07 0.45 0.46 -0.63 -0.69 0.00 0.00 174.62 174.14 2hgl s ILE 36 N 0.63 5.08 -0.46 1.82 -1.09 -1.26 -0.70 121.20 125.22 2hgl s ILE 36 Ca 0.01 -0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 57.62 2hgl s ILE 36 Cb -0.14 -3.82 -0.20 0.00 -1.58 0.00 0.00 42.46 36.72 2hgl s ILE 36 CO 0.02 -0.42 3.22 1.57 -1.23 0.00 0.00 174.94 178.10 2hgl n HIS 37 N -1.62 0.69 0.00 3.97 -0.00 -0.95 -4.02 115.22 113.29 2hgl n HIS 37 Ca -0.06 -1.85 0.00 0.00 -0.00 0.00 0.00 57.72 55.80 2hgl n HIS 37 Cb 0.57 -1.77 0.00 0.00 -0.00 0.00 0.00 29.99 28.79 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 2.89 0.00 0.00 0.26 2.03 -1.26 -4.18 116.55 116.29 2hgl n ASP 38 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 2hgl n ASP 38 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 0.00 4.38 0.00 0.27 0.00 -1.26 -4.87 105.19 103.71 2hgl n GLY 39 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 1.29 1.11 4.61 0.00 -1.26 -4.70 120.51 121.57 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 0.08 0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.98 2.54 -0.53 0.00 0.00 -1.26 -2.60 120.51 117.69 2hgl n ALA 41 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2hgl n ALA 41 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.12 0.38 3.75 0.00 0.00 -1.26 -4.83 105.19 103.35 2hgl n GLY 42 Ca 0.01 0.00 -0.28 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 -0.07 4.28 -0.04 1.61 -7.23 -1.07 0.29 120.40 118.17 2hgl s VAL 43 Ca 0.00 -1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 58.94 2hgl s VAL 43 Cb 0.00 -3.14 0.03 0.00 0.56 0.00 0.00 36.38 33.83 2hgl s VAL 43 CO 0.00 -0.04 0.33 -1.00 -0.31 0.00 0.00 175.10 174.08 2hgl s HIS 44 N -1.62 -0.23 -0.03 2.82 0.09 0.42 -4.97 115.29 111.76 2hgl s HIS 44 Ca 0.29 0.41 0.06 0.00 -0.00 0.00 0.00 55.06 55.83 2hgl s HIS 44 Cb -0.10 0.11 -0.01 0.00 -0.00 0.00 0.00 32.58 32.57 2hgl s HIS 44 CO 0.21 -0.36 -0.21 -0.06 -0.00 0.00 0.00 174.74 174.32 2hgl s PHE 45 N -1.05 1.95 0.27 1.40 0.40 -1.26 -1.16 117.98 118.53 2hgl s PHE 45 Ca -0.11 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 2hgl s PHE 45 Cb -0.05 -1.27 -0.07 0.00 0.51 0.00 0.00 43.02 42.14 2hgl s PHE 45 CO 0.04 -0.08 0.61 0.42 0.70 0.00 0.00 175.22 176.91 2hgl s ILE 46 N -0.37 4.87 -0.01 0.64 -1.09 -0.50 -4.96 121.20 119.77 2hgl s ILE 46 Ca 0.05 0.57 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 2hgl s ILE 46 Cb -0.09 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 2hgl s ILE 46 CO 0.00 -0.14 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.21 2hgl s TYR 47 N -1.91 0.54 0.18 3.97 2.02 -1.26 -1.12 117.35 119.76 2hgl s TYR 47 Ca 0.49 -0.11 0.13 0.00 -0.37 0.00 0.00 57.07 57.21 2hgl s TYR 47 Cb -0.11 -0.39 0.33 0.00 -0.40 0.00 0.00 41.96 41.39 2hgl s TYR 47 CO 0.21 -0.05 1.58 1.79 -1.57 0.00 0.00 175.55 177.51 2hgl h THR 48 N 5.32 1.26 -0.37 -0.71 1.35 -1.50 -3.45 112.91 114.81 2hgl h THR 48 Ca -0.31 -2.16 -0.14 0.00 -0.55 0.00 0.00 66.41 63.24 2hgl h THR 48 Cb 1.18 2.22 -0.08 0.00 -1.73 0.00 0.00 68.15 69.73 2hgl h THR 48 CO 0.49 0.58 0.01 0.54 -0.25 0.00 0.00 175.52 176.90 2hgl n ARG 49 N -3.59 2.26 -0.61 4.72 1.74 -1.26 -5.05 116.66 114.87 2hgl n ARG 49 Ca -0.00 -3.05 -0.06 0.00 -0.77 0.00 0.00 57.85 53.97 2hgl n ARG 49 Cb 0.65 -1.86 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 2hgl n ARG 49 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hgl n GLU 50 N -0.90 1.21 -1.55 5.56 -0.00 -1.26 -4.59 120.64 119.10 2hgl n GLU 50 Ca 0.31 -0.46 -0.00 0.00 -0.00 0.00 0.00 57.16 57.01 2hgl n GLU 50 Cb 1.04 -1.59 -0.00 0.00 -0.00 0.00 0.00 31.44 30.89 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 2.24 0.38 3.27 -1.84 0.00 -1.26 -5.02 105.19 102.96 2hgl n GLY 51 Ca 0.20 -0.97 -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 -3.11 0.83 0.25 1.61 3.52 -1.26 -5.06 118.95 115.72 2hgl s ARG 52 Ca 0.00 -0.43 -0.20 0.00 -0.13 0.00 0.00 55.73 54.97 2hgl s ARG 52 Cb 0.00 0.36 -0.09 0.00 -1.56 0.00 0.00 34.95 33.67 2hgl s ARG 52 CO 0.00 -0.27 0.75 -1.14 -0.81 0.00 0.00 175.30 173.83 2hgl s GLN 53 N -2.40 4.26 0.74 5.12 0.74 -1.26 -1.33 119.66 125.52 2hgl s GLN 53 Ca -0.06 0.90 -0.12 0.00 0.05 0.00 0.00 55.36 56.13 2hgl s GLN 53 Cb -0.01 -2.81 0.04 0.00 1.10 0.00 0.00 33.01 31.33 2hgl s GLN 53 CO -0.02 0.35 1.13 0.45 -0.55 0.00 0.00 175.29 176.64 2hgl s SER 54 N -1.73 5.10 -0.00 6.67 0.15 -0.28 -4.75 113.70 118.87 2hgl s SER 54 Ca 0.45 1.01 -0.06 0.00 0.70 0.00 0.00 55.95 58.06 2hgl s SER 54 Cb -0.16 -1.70 -0.26 0.00 -1.71 0.00 0.00 66.02 62.19 2hgl s SER 54 CO 0.21 -1.55 3.52 0.61 1.20 0.00 0.00 173.24 177.22 2hgl n GLY 55 N -3.10 2.93 3.14 9.45 0.00 -1.26 -4.73 105.19 111.62 2hgl n GLY 55 Ca 0.07 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 1.07 0.54 0.31 1.61 2.02 -1.26 -0.43 118.70 122.56 2hgl s GLU 56 Ca 0.65 -0.35 -0.15 0.00 0.02 0.00 0.00 54.97 55.13 2hgl s GLU 56 Cb 0.31 0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.79 2hgl s GLU 56 CO -0.00 -0.14 0.64 0.00 0.02 0.00 0.00 175.26 175.78 2hgl s ALA 57 N -1.40 -0.57 -0.10 5.21 0.00 -0.14 -1.41 121.76 123.35 2hgl s ALA 57 Ca -0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2hgl s ALA 57 Cb -0.07 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.99 2hgl s ALA 57 CO 0.02 -0.94 0.30 -0.06 0.00 0.00 0.00 175.76 175.08 2hgl s PHE 58 N -3.43 -0.30 -0.20 0.00 0.40 -0.30 -0.31 117.98 113.83 2hgl s PHE 58 Ca 0.18 0.70 -0.04 0.00 -0.60 0.00 0.00 56.93 57.16 2hgl s PHE 58 Cb -0.04 0.10 0.09 0.00 0.51 0.00 0.00 43.02 43.68 2hgl s PHE 58 CO 0.10 -0.20 0.18 0.08 0.70 0.00 0.00 175.22 176.09 2hgl s VAL 59 N -0.11 -0.25 -0.45 -0.44 1.01 0.77 -0.44 120.40 120.49 2hgl s VAL 59 Ca -0.02 -0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 2hgl s VAL 59 Cb -0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 2hgl s VAL 59 CO 0.01 -0.25 2.39 -0.62 0.00 0.00 0.00 175.10 176.62 2hgl n GLU 60 N 5.31 1.19 -1.17 2.72 1.02 0.15 -0.49 120.64 129.37 2hgl n GLU 60 Ca -0.06 0.11 -0.29 0.00 -0.02 0.00 0.00 57.16 56.91 2hgl n GLU 60 Cb 0.49 -3.32 0.17 0.00 -0.02 0.00 0.00 31.44 28.77 2hgl n GLU 60 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hgl s LEU 61 N 11.24 1.64 0.00 -4.62 1.43 0.35 -2.23 118.68 126.49 2hgl s LEU 61 Ca 1.00 1.21 0.26 0.00 -1.03 0.00 0.00 54.13 55.58 2hgl s LEU 61 Cb -0.26 -3.41 0.77 0.00 0.03 0.00 0.00 46.19 43.32 2hgl s LEU 61 CO 0.29 -3.11 1.57 0.61 0.23 0.00 0.00 176.35 175.95 2hgl n GLY 62 N -1.09 -0.40 3.84 -3.19 0.00 0.12 -3.61 105.19 100.86 2hgl n GLY 62 Ca 0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.38 -0.15 0.42 1.61 1.04 -1.26 -4.81 113.70 108.16 2hgl s SER 63 Ca 0.27 -0.82 0.23 0.00 0.48 0.00 0.00 55.95 56.11 2hgl s SER 63 Cb 0.20 0.77 0.71 0.00 0.10 0.00 0.00 66.02 67.80 2hgl s SER 63 CO 0.48 -1.47 1.74 -0.08 0.98 0.00 0.00 173.24 174.88 2hgl h GLU 64 N 2.00 0.00 0.00 4.02 4.81 -1.92 -2.40 114.58 121.09 2hgl h GLU 64 Ca -0.24 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 2hgl h GLU 64 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2hgl h GLU 64 CO 0.30 0.24 -0.30 -0.44 -0.73 0.00 0.00 179.01 178.08 2hgl h ASP 65 N 0.00 0.00 -0.49 1.04 5.19 -1.97 -1.04 116.42 119.15 2hgl h ASP 65 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2hgl h ASP 65 Cb 0.89 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 2hgl h ASP 65 CO 0.03 0.30 0.26 0.44 -3.12 0.00 0.00 179.24 177.15 2hgl h ASP 66 N 0.00 0.62 -0.52 6.45 3.32 -1.82 -0.51 116.42 123.96 2hgl h ASP 66 Ca -0.00 -0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.02 2hgl h ASP 66 Cb 0.80 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 2hgl h ASP 66 CO 0.04 0.55 0.18 -0.37 -1.72 0.00 0.00 179.24 177.92 2hgl h VAL 67 N 0.65 0.81 -1.00 -1.35 -1.51 -0.75 0.69 116.25 113.79 2hgl h VAL 67 Ca 0.17 -0.12 0.03 0.00 -1.23 0.00 0.00 66.70 65.55 2hgl h VAL 67 Cb 0.08 0.42 -0.06 0.00 -2.13 0.00 0.00 31.29 29.60 2hgl h VAL 67 CO -0.03 0.07 0.65 0.11 -1.23 0.00 0.00 177.57 177.15 2hgl h LYS 68 N 0.36 1.25 -0.12 5.19 1.57 -1.24 0.58 116.57 124.16 2hgl h LYS 68 Ca 0.26 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2hgl h LYS 68 Cb 0.29 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2hgl h LYS 68 CO -0.26 0.82 -0.09 0.52 -0.57 0.00 0.00 179.45 179.87 2hgl h MET 69 N 1.28 0.18 -0.01 3.15 2.86 0.30 -2.64 114.93 120.06 2hgl h MET 69 Ca 0.39 -0.03 -0.23 0.00 -2.06 0.00 0.00 59.70 57.77 2hgl h MET 69 Cb -0.04 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.60 2hgl h MET 69 CO -0.11 0.28 -0.95 0.00 1.06 0.00 0.00 176.91 177.19 2hgl h ALA 70 N 1.74 0.33 -0.06 6.32 0.00 -0.07 -3.21 119.26 124.32 2hgl h ALA 70 Ca 0.04 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.27 2hgl h ALA 70 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hgl h ALA 70 CO 0.01 0.79 0.06 -0.07 0.00 0.00 0.00 179.25 180.04 2hgl h LEU 71 N 0.27 0.00 -1.18 0.00 3.38 -0.63 -1.90 115.31 115.25 2hgl h LEU 71 Ca -0.09 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.18 2hgl h LEU 71 Cb 1.58 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.21 2hgl h LEU 71 CO 0.17 0.00 0.65 0.11 0.09 0.00 0.00 178.44 179.46 2hgl h LYS 72 N 0.00 0.37 -0.68 1.13 1.57 -1.48 -1.94 116.57 115.55 2hgl h LYS 72 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2hgl h LYS 72 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2hgl h LYS 72 CO -0.00 0.25 0.00 1.63 -0.57 0.00 0.00 179.45 180.76 2hgl n LYS 73 N -4.81 3.31 0.00 3.15 4.76 -0.71 -4.84 118.16 119.02 2hgl n LYS 73 Ca 0.29 -2.71 0.01 0.00 -2.87 0.00 0.00 58.31 53.03 2hgl n LYS 73 Cb 0.94 -1.77 0.08 0.00 -1.84 0.00 0.00 35.03 32.44 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 1.27 0.00 -0.52 4.39 5.68 -0.73 -1.04 116.55 125.60 2hgl n ASP 74 Ca 0.25 -0.06 -0.00 0.00 -0.50 0.00 0.00 54.79 54.48 2hgl n ASP 74 Cb 0.78 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 40.73 2hgl n ASP 74 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2hgl n ARG 75 N -1.02 0.00 -0.23 0.11 1.74 -1.26 -2.47 116.66 113.53 2hgl n ARG 75 Ca 0.02 -0.59 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 2hgl n ARG 75 Cb 0.01 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 2hgl n ARG 75 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2hgl n GLU 76 N 0.01 0.84 -4.09 5.56 4.07 -0.20 -4.75 120.64 122.08 2hgl n GLU 76 Ca -0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 2hgl n GLU 76 Cb 0.62 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.90 2hgl n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2hgl s SER 77 N -1.00 0.71 0.00 4.31 1.04 -1.26 -0.37 113.70 117.13 2hgl s SER 77 Ca 0.00 -0.81 0.28 0.00 0.48 0.00 0.00 55.95 55.90 2hgl s SER 77 Cb 0.00 0.11 1.03 0.00 0.10 0.00 0.00 66.02 67.26 2hgl s SER 77 CO 0.00 -0.42 1.76 1.15 0.98 0.00 0.00 173.24 176.71 2hgl n MET 78 N 0.65 0.25 0.00 4.02 0.00 -0.99 -4.90 117.12 116.15 2hgl n MET 78 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.44 2hgl n MET 78 Cb 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.31 2hgl n MET 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2hgl n GLY 79 N 1.42 2.49 0.47 3.17 0.00 -1.26 -4.74 105.19 106.74 2hgl n GLY 79 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2hgl n GLY 79 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2hgl n HIS 80 N 0.00 0.00 -3.64 1.61 1.44 -1.26 -5.12 115.22 108.26 2hgl n HIS 80 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 2hgl n HIS 80 Cb 0.00 0.15 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2hgl s ARG 81 N 0.00 1.00 0.24 -1.40 1.81 -1.26 -5.06 118.95 114.28 2hgl s ARG 81 Ca 0.00 -0.49 -0.12 0.00 -1.72 0.00 0.00 55.73 53.40 2hgl s ARG 81 Cb 0.00 0.44 -0.08 0.00 -0.45 0.00 0.00 34.95 34.87 2hgl s ARG 81 CO 0.00 -0.37 0.61 0.71 -0.68 0.00 0.00 175.30 175.57 2hgl s TYR 82 N -3.03 3.45 -0.45 -0.53 2.02 -1.26 -2.34 117.35 115.21 2hgl s TYR 82 Ca -0.02 1.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.74 2hgl s TYR 82 Cb 0.00 -2.37 0.18 0.00 -0.40 0.00 0.00 41.96 39.37 2hgl s TYR 82 CO -0.06 0.25 0.38 -0.89 -1.57 0.00 0.00 175.55 173.65 2hgl n ILE 83 N -0.01 -0.80 -1.99 2.71 2.08 0.50 -0.88 119.36 120.97 2hgl n ILE 83 Ca 0.00 -3.66 -0.43 0.00 0.56 0.00 0.00 62.75 59.22 2hgl n ILE 83 Cb 0.52 -1.74 -0.03 0.00 -0.75 0.00 0.00 39.64 37.64 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 -0.25 3.76 -0.19 0.38 2.12 0.67 -4.03 118.70 121.16 2hgl s GLU 84 Ca 0.32 1.85 -0.14 0.00 0.36 0.00 0.00 54.97 57.36 2hgl s GLU 84 Cb 0.04 -4.09 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 2hgl s GLU 84 CO -0.19 -1.34 0.30 0.08 -0.54 0.00 0.00 175.26 173.57 2hgl s VAL 85 N 5.48 5.28 0.04 3.70 1.01 -1.03 -0.85 120.40 134.02 2hgl s VAL 85 Ca 0.77 0.53 0.05 0.00 0.00 0.00 0.00 61.98 63.33 2hgl s VAL 85 Cb -0.28 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2hgl s VAL 85 CO 0.31 0.34 -0.10 -0.36 0.00 0.00 0.00 175.10 175.29 2hgl s PHE 86 N 0.84 2.78 0.37 5.22 0.40 0.08 -4.72 117.98 122.96 2hgl s PHE 86 Ca 0.16 -0.11 -0.26 0.00 -0.60 0.00 0.00 56.93 56.11 2hgl s PHE 86 Cb -0.14 -1.53 -0.09 0.00 0.51 0.00 0.00 43.02 41.77 2hgl s PHE 86 CO 0.05 0.36 1.13 0.21 0.70 0.00 0.00 175.22 177.67 2hgl s LYS 87 N -1.63 4.22 0.29 0.44 2.20 -1.26 -0.26 119.74 123.74 2hgl s LYS 87 Ca 0.18 1.76 -0.03 0.00 -0.36 0.00 0.00 55.97 57.52 2hgl s LYS 87 Cb -0.11 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2hgl s LYS 87 CO 0.09 -0.15 0.38 0.45 -0.36 0.00 0.00 175.35 175.75 2hgl s SER 88 N -1.17 0.61 0.09 1.43 0.15 -0.37 -4.71 113.70 109.74 2hgl s SER 88 Ca 0.54 -1.37 0.05 0.00 0.70 0.00 0.00 55.95 55.87 2hgl s SER 88 Cb -0.29 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2hgl s SER 88 CO 0.37 -1.14 -0.13 -1.00 1.20 0.00 0.00 173.24 172.54 2hgl s HIS 89 N -3.56 1.23 0.23 3.44 3.76 -1.26 -4.03 115.29 115.10 2hgl s HIS 89 Ca 0.32 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 54.63 2hgl s HIS 89 Cb 0.01 -0.67 0.25 0.00 1.11 0.00 0.00 32.58 33.29 2hgl s HIS 89 CO 0.17 0.07 1.87 -0.09 -0.85 0.00 0.00 174.74 175.91 2hgl h ARG 90 N 3.94 0.99 -0.44 1.40 1.12 -1.91 -0.02 114.38 119.47 2hgl h ARG 90 Ca -0.40 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.39 2hgl h ARG 90 Cb 1.19 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.91 2hgl h ARG 90 CO 0.45 0.66 0.20 1.15 -3.11 0.00 0.00 179.97 179.32 2hgl h THR 91 N 1.02 1.18 -0.25 0.20 2.02 -1.97 0.20 112.91 115.32 2hgl h THR 91 Ca 0.33 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2hgl h THR 91 Cb 0.02 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2hgl h THR 91 CO -0.12 0.20 0.06 -0.08 0.37 0.00 0.00 175.52 175.95 2hgl h GLU 92 N 0.56 0.41 -0.76 6.66 4.81 -1.88 -2.54 114.58 121.84 2hgl h GLU 92 Ca 0.15 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2hgl h GLU 92 Cb 0.13 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2hgl h GLU 92 CO -0.02 0.51 0.48 1.98 -0.73 0.00 0.00 179.01 181.24 2hgl h MET 93 N 0.23 1.01 0.00 1.92 4.05 -0.88 -1.33 114.93 119.93 2hgl h MET 93 Ca 0.08 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2hgl h MET 93 Cb 0.29 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2hgl h MET 93 CO 0.00 0.69 -0.07 -0.44 0.23 0.00 0.00 176.91 177.32 2hgl h ASP 94 N 1.03 0.00 0.30 1.39 3.32 -0.90 -2.30 116.42 119.26 2hgl h ASP 94 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2hgl h ASP 94 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2hgl h ASP 94 CO -0.06 0.07 -0.14 -0.25 -1.72 0.00 0.00 179.24 177.14 2hgl h TRP 95 N 0.00 -0.37 -0.11 4.55 -0.00 -0.94 -3.37 115.95 115.70 2hgl h TRP 95 Ca -0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.89 58.77 2hgl h TRP 95 Cb 0.42 0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 2hgl h TRP 95 CO 0.00 -0.08 -0.43 -0.39 -0.00 0.00 0.00 178.44 177.55 2hgl h VAL 96 N -1.01 1.32 0.00 2.65 -1.51 -0.73 -1.76 116.25 115.20 2hgl h VAL 96 Ca -0.04 -1.56 -0.03 0.00 -1.23 0.00 0.00 66.70 63.84 2hgl h VAL 96 Cb 0.45 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2hgl h VAL 96 CO 0.07 0.47 -0.15 -0.07 -1.23 0.00 0.00 177.57 176.65 2hgl h LEU 97 N 0.22 0.00 -2.54 4.19 4.07 -1.68 -3.34 115.31 116.23 2hgl h LEU 97 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2hgl h LEU 97 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2hgl h LEU 97 CO 0.07 0.15 0.00 0.29 -1.08 0.00 0.00 178.44 177.87 2hgl n LYS 98 N -3.32 2.18 -0.35 1.13 5.02 -0.73 -4.67 118.16 117.41 2hgl n LYS 98 Ca 0.00 -1.27 0.37 0.00 -2.02 0.00 0.00 58.31 55.39 2hgl n LYS 98 Cb 0.38 -0.96 0.67 0.00 -0.02 0.00 0.00 35.03 35.10 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 -1.12 2.13 2.76 -1.51 -0.84 115.15 116.57 2hgl h HIS 99 Ca 0.00 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.80 2hgl h HIS 99 Cb 0.46 0.00 -0.37 0.00 1.55 0.00 0.00 27.41 29.05 2hgl h HIS 99 CO 0.00 0.00 -1.09 0.43 -1.30 0.00 0.00 177.93 175.97 2hgl n SER 100 N -3.72 0.79 -3.01 3.26 7.64 -1.26 -5.15 113.62 112.17 2hgl n SER 100 Ca 0.28 -2.81 -0.09 0.00 1.01 0.00 0.00 58.87 57.27 2hgl n SER 100 Cb 1.51 -0.30 0.01 0.00 -1.01 0.00 0.00 64.21 64.42 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 -0.01 2.72 0.00 0.23 0.00 -0.32 -5.04 105.19 102.78 2hgl n GLY 101 Ca 0.12 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27