#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 -2.60 2.12 0.00 -1.26 -2.59 117.12 112.79 2hgl n MET 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 2hgl n MET 2 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 33.22 33.33 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 0.00 -1.05 -3.94 4.03 -0.00 -1.26 -5.12 117.00 109.65 2hgl n LEU 3 Ca 0.00 -3.13 -0.09 0.00 -0.00 0.00 0.00 56.01 52.79 2hgl n LEU 3 Cb 0.00 0.13 -0.10 0.00 -0.00 0.00 0.00 43.42 43.46 2hgl n LEU 3 CO 0.00 1.62 -0.24 -0.83 -0.00 0.00 0.00 177.39 177.94 2hgl s GLY 4 N -1.46 0.20 0.00 -3.96 0.00 -1.07 -5.08 107.32 95.94 2hgl s GLY 4 Ca 0.11 -0.58 0.27 0.00 0.00 0.00 0.00 44.72 44.52 2hgl s GLY 4 CO -0.11 -0.71 1.66 -1.55 0.00 0.00 0.00 173.10 172.38 2hgl n PRO 5 N 0.83 0.71 0.00 2.90 -0.04 -1.26 -0.28 135.00 137.86 2hgl n PRO 5 Ca -0.19 -0.36 0.06 0.00 -0.04 0.00 0.00 63.50 62.96 2hgl n PRO 5 Cb 0.58 -1.49 0.30 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.83 0.14 -3.97 0.54 0.00 -1.26 -4.59 120.64 110.67 2hgl n GLU 6 Ca 0.12 0.20 0.04 0.00 0.00 0.00 0.00 57.16 57.52 2hgl n GLU 6 Cb 0.32 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.27 2hgl n GLU 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2hgl s GLY 7 N -2.67 -0.22 0.23 -1.84 0.00 -1.26 -4.91 107.32 96.64 2hgl s GLY 7 Ca 0.10 0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.84 2hgl s GLY 7 CO 0.20 5.76 0.64 -0.32 0.00 0.00 0.00 173.10 179.37 2hgl s GLY 8 N -3.81 -0.19 0.00 0.20 0.00 -1.26 -0.75 107.32 101.52 2hgl s GLY 8 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.89 2hgl s GLY 8 CO -0.03 -0.09 0.00 -1.84 0.00 0.00 0.00 173.10 171.14 2hgl n GLU 9 N -0.41 0.00 -4.20 2.90 0.00 -1.26 -4.97 120.64 112.70 2hgl n GLU 9 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.96 2hgl n GLU 9 Cb 0.61 -0.11 -0.10 0.00 0.00 0.00 0.00 31.44 31.84 2hgl n GLU 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2hgl s GLY 10 N 0.00 1.25 -0.95 -1.84 0.00 -1.26 -5.10 107.32 99.42 2hgl s GLY 10 Ca 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 2hgl s GLY 10 CO 0.00 -1.44 0.87 -1.36 0.00 0.00 0.00 173.10 171.18 2hgl s PHE 11 N -3.96 4.00 0.32 1.90 0.08 -0.95 -4.60 117.98 114.77 2hgl s PHE 11 Ca 0.30 -2.90 -0.28 0.00 0.12 0.00 0.00 56.93 54.16 2hgl s PHE 11 Cb 0.07 -3.44 -0.10 0.00 -0.57 0.00 0.00 43.02 38.99 2hgl s PHE 11 CO 0.06 -0.81 1.15 0.08 -0.10 0.00 0.00 175.22 175.61 2hgl s VAL 12 N -1.27 3.28 -0.05 -0.44 1.01 -1.23 -0.11 120.40 121.59 2hgl s VAL 12 Ca 0.28 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.55 2hgl s VAL 12 Cb -0.08 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2hgl s VAL 12 CO -0.11 0.26 -0.22 0.68 0.00 0.00 0.00 175.10 175.71 2hgl s VAL 13 N -1.23 1.78 0.43 2.92 -7.23 0.50 -1.45 120.40 116.12 2hgl s VAL 13 Ca 0.48 -0.92 -0.21 0.00 -1.81 0.00 0.00 61.98 59.51 2hgl s VAL 13 Cb -0.33 -1.51 -0.10 0.00 0.56 0.00 0.00 36.38 35.00 2hgl s VAL 13 CO 0.42 0.50 0.97 -0.75 -0.31 0.00 0.00 175.10 175.93 2hgl s LYS 14 N -0.15 4.19 -0.11 4.82 2.20 0.18 -0.16 119.74 130.71 2hgl s LYS 14 Ca -0.02 1.19 -0.02 0.00 -0.36 0.00 0.00 55.97 56.77 2hgl s LYS 14 Cb -0.12 -2.24 0.04 0.00 -1.51 0.00 0.00 37.83 34.00 2hgl s LYS 14 CO 0.02 -0.07 0.01 -0.51 -0.36 0.00 0.00 175.35 174.45 2hgl s LEU 15 N -3.11 0.76 0.00 5.43 1.43 0.62 -0.68 118.68 123.14 2hgl s LEU 15 Ca 0.62 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2hgl s LEU 15 Cb -0.12 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2hgl s LEU 15 CO 0.16 -0.23 -0.05 -0.60 0.23 0.00 0.00 176.35 175.86 2hgl s ARG 16 N 1.94 0.36 0.00 1.70 3.00 -0.46 -0.57 118.95 124.91 2hgl s ARG 16 Ca 0.03 -0.25 0.00 0.00 -1.00 0.00 0.00 55.73 54.51 2hgl s ARG 16 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 34.95 34.52 2hgl s ARG 16 CO -0.06 0.08 0.00 0.41 0.00 0.00 0.00 175.30 175.72 2hgl n GLY 17 N 2.71 1.41 1.92 8.12 0.00 0.39 -0.17 105.19 119.56 2hgl n GLY 17 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.85 -4.93 0.99 4.77 -0.40 -4.10 117.00 111.47 2hgl n LEU 18 Ca 0.00 0.44 -0.28 0.00 -0.03 0.00 0.00 56.01 56.14 2hgl n LEU 18 Cb 0.00 -0.51 0.14 0.00 -2.33 0.00 0.00 43.42 40.73 2hgl n LEU 18 CO 0.00 -2.58 0.79 -2.84 -1.33 0.00 0.00 177.39 171.42 2hgl s PRO 19 N -0.58 1.19 0.62 3.23 0.02 -1.26 -4.23 135.00 133.99 2hgl s PRO 19 Ca 0.34 -0.40 0.31 0.00 0.02 0.00 0.00 61.00 61.27 2hgl s PRO 19 Cb -0.34 -1.97 1.75 0.00 0.02 0.00 0.00 34.50 33.96 2hgl s PRO 19 CO 0.37 -2.00 2.08 -1.49 -0.33 0.00 0.00 177.00 175.63 2hgl h TRP 20 N -1.26 0.00 0.00 6.54 6.55 -1.93 -2.60 115.95 123.24 2hgl h TRP 20 Ca -0.44 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.36 2hgl h TRP 20 Cb 1.26 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.56 2hgl h TRP 20 CO -0.59 0.00 -0.20 0.66 -1.05 0.00 0.00 178.44 177.26 2hgl h SER 21 N 0.00 0.00 -3.98 -3.49 4.64 -1.94 -3.50 113.55 105.28 2hgl h SER 21 Ca 0.07 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.85 2hgl h SER 21 Cb 0.53 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.73 2hgl h SER 21 CO -0.00 0.20 0.72 0.00 -0.87 0.00 0.00 176.83 176.87 2hgl s SER 23 N -0.43 0.24 0.28 0.00 1.04 -1.26 -5.04 113.70 108.53 2hgl s SER 23 Ca 0.59 -1.18 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 2hgl s SER 23 Cb -0.44 0.57 0.56 0.00 0.10 0.00 0.00 66.02 66.81 2hgl s SER 23 CO 0.58 -1.13 1.58 0.58 0.98 0.00 0.00 173.24 175.82 2hgl h VAL 24 N 2.28 0.06 0.00 5.02 2.07 -1.96 -1.05 116.25 122.68 2hgl h VAL 24 Ca -0.29 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 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 -0.27 -0.33 0.02 0.00 0.00 177.57 177.39 2hgl h GLU 25 N 0.01 0.00 0.31 1.57 4.39 -1.96 0.92 114.58 119.82 2hgl h GLU 25 Ca 0.51 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.19 2hgl h GLU 25 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2hgl h GLU 25 CO -0.93 0.27 -0.15 0.22 -1.16 0.00 0.00 179.01 177.26 2hgl h ASP 26 N 0.00 -0.35 0.02 1.42 1.82 -1.90 -0.23 116.42 117.20 2hgl h ASP 26 Ca -0.00 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2hgl h ASP 26 Cb 0.97 0.09 -0.00 0.00 0.68 0.00 0.00 39.33 41.07 2hgl h ASP 26 CO 0.04 -0.15 -0.01 1.62 -1.61 0.00 0.00 179.24 179.12 2hgl h VAL 27 N -0.53 0.85 0.00 2.25 3.04 0.16 -0.02 116.25 122.00 2hgl h VAL 27 Ca -0.04 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2hgl h VAL 27 Cb 0.39 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2hgl h VAL 27 CO 0.07 0.01 -0.35 0.00 -1.01 0.00 0.00 177.57 176.30 2hgl n GLN 28 N -4.28 4.78 -0.04 4.17 10.64 0.18 -2.53 117.38 130.30 2hgl n GLN 28 Ca -0.03 -0.01 -0.13 0.00 -1.83 0.00 0.00 57.00 55.01 2hgl n GLN 28 Cb 0.10 -0.77 -0.08 0.00 -0.86 0.00 0.00 30.24 28.63 2hgl n GLN 28 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 2hgl h ASN 29 N 0.00 0.22 -0.56 2.61 -1.24 -1.00 -1.55 115.58 114.06 2hgl h ASN 29 Ca 0.00 -0.44 0.05 0.00 0.71 0.00 0.00 56.30 56.63 2hgl h ASN 29 Cb 0.13 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2hgl h ASN 29 CO 0.00 0.61 0.37 0.15 -1.29 0.00 0.00 177.43 177.27 2hgl h PHE 30 N -0.17 0.54 -1.16 0.67 3.57 -1.09 -2.54 116.94 116.76 2hgl h PHE 30 Ca 0.02 0.01 -0.58 0.00 3.53 0.00 0.00 57.97 60.95 2hgl h PHE 30 Cb 0.53 -0.18 -0.41 0.00 2.79 0.00 0.00 35.95 38.68 2hgl h PHE 30 CO 0.07 0.30 -0.61 1.28 -2.23 0.00 0.00 178.31 177.12 2hgl n LEU 31 N -4.47 5.09 0.17 0.59 4.77 -1.05 -4.66 117.00 117.45 2hgl n LEU 31 Ca 0.07 -4.94 0.10 0.00 -0.03 0.00 0.00 56.01 51.22 2hgl n LEU 31 Cb 0.22 -0.46 0.55 0.00 -2.33 0.00 0.00 43.42 41.40 2hgl n LEU 31 CO 0.34 2.12 0.84 0.77 -1.33 0.00 0.00 177.39 180.14 2hgl h SER 32 N 2.38 0.00 -0.00 -1.43 4.64 -0.83 -0.03 113.55 118.28 2hgl h SER 32 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2hgl h SER 32 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2hgl h SER 32 CO 0.87 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 177.27 2hgl h ASP 33 N 0.00 0.00 -4.36 4.97 5.19 -1.86 -3.48 116.42 116.88 2hgl h ASP 33 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 2hgl h ASP 33 Cb 0.19 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.45 2hgl h ASP 33 CO 0.00 0.00 -0.76 0.00 -3.12 0.00 0.00 179.24 175.36 2hgl s THR 35 N -0.82 5.09 0.19 0.00 2.01 -1.26 -5.01 115.64 115.84 2hgl s THR 35 Ca -0.02 1.06 0.02 0.00 0.31 0.00 0.00 61.69 63.05 2hgl s THR 35 Cb -0.07 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2hgl s THR 35 CO 0.01 0.20 0.34 -0.63 -0.69 0.00 0.00 174.62 173.84 2hgl s ILE 36 N 1.43 5.27 -1.60 1.82 1.09 -1.26 -0.71 121.20 127.23 2hgl s ILE 36 Ca 0.27 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 59.21 2hgl s ILE 36 Cb -0.16 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.48 2hgl s ILE 36 CO 0.11 -0.17 0.28 1.57 -0.10 0.00 0.00 174.94 176.62 2hgl n HIS 37 N -0.76 0.00 0.10 3.97 -0.00 -0.91 -4.06 115.22 113.57 2hgl n HIS 37 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2hgl n HIS 37 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 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 -0.17 -1.79 0.00 0.26 2.03 -1.26 -4.81 116.55 110.81 2hgl n ASP 38 Ca 0.00 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2hgl n ASP 38 Cb 0.03 1.88 0.00 0.00 -0.72 0.00 0.00 41.12 42.32 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 -1.28 3.09 0.00 0.27 0.00 -1.26 -4.88 105.19 101.12 2hgl n GLY 39 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.03 0.97 4.61 0.00 -1.26 -4.75 120.51 121.11 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 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.78 2.46 -1.92 0.00 0.00 -1.26 -2.38 120.51 116.63 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 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.23 0.37 3.24 0.00 0.00 -1.26 -4.73 105.19 103.04 2hgl n GLY 42 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.40 -0.18 1.61 -7.23 -1.00 0.33 120.40 115.33 2hgl s VAL 43 Ca 0.00 -1.60 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 2hgl s VAL 43 Cb 0.00 -1.45 0.05 0.00 0.56 0.00 0.00 36.38 35.54 2hgl s VAL 43 CO 0.00 -0.29 0.47 -1.00 -0.31 0.00 0.00 175.10 173.97 2hgl s HIS 44 N -1.73 -0.56 -0.05 2.82 0.09 0.24 -4.98 115.29 111.12 2hgl s HIS 44 Ca 0.06 1.30 0.06 0.00 -0.00 0.00 0.00 55.06 56.49 2hgl s HIS 44 Cb -0.07 0.21 -0.01 0.00 -0.00 0.00 0.00 32.58 32.71 2hgl s HIS 44 CO 0.03 -0.28 -0.25 -0.06 -0.00 0.00 0.00 174.74 174.19 2hgl s PHE 45 N 0.51 2.40 -0.04 1.40 0.40 -1.26 -0.83 117.98 120.56 2hgl s PHE 45 Ca -0.02 -0.66 -0.05 0.00 -0.60 0.00 0.00 56.93 55.59 2hgl s PHE 45 Cb -0.04 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2hgl s PHE 45 CO -0.03 -0.18 0.20 0.42 0.70 0.00 0.00 175.22 176.33 2hgl s ILE 46 N -0.25 5.41 -0.09 0.64 1.01 -0.42 -4.96 121.20 122.54 2hgl s ILE 46 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 2hgl s ILE 46 Cb -0.13 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.86 2hgl s ILE 46 CO 0.03 0.43 0.01 -0.31 0.00 0.00 0.00 174.94 175.10 2hgl s TYR 47 N -1.22 0.65 0.94 3.97 2.02 -1.26 -2.65 117.35 119.80 2hgl s TYR 47 Ca 0.23 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.61 2hgl s TYR 47 Cb -0.13 -0.80 0.16 0.00 -0.40 0.00 0.00 41.96 40.79 2hgl s TYR 47 CO 0.13 -0.35 1.11 0.95 -1.57 0.00 0.00 175.55 175.82 2hgl s THR 48 N 1.98 2.26 -0.51 -0.71 -4.23 0.51 -4.86 115.64 110.08 2hgl s THR 48 Ca 0.04 0.09 0.15 0.00 -1.18 0.00 0.00 61.69 60.79 2hgl s THR 48 Cb -0.13 -2.21 0.15 0.00 1.34 0.00 0.00 72.50 71.66 2hgl s THR 48 CO -0.05 -0.11 1.47 0.54 -0.54 0.00 0.00 174.62 175.93 2hgl n ARG 49 N -4.25 0.10 0.00 3.99 5.12 -1.26 -1.52 116.66 118.84 2hgl n ARG 49 Ca 0.09 0.55 0.04 0.00 -1.93 0.00 0.00 57.85 56.60 2hgl n ARG 49 Cb 0.53 -1.79 0.01 0.00 -1.16 0.00 0.00 32.46 30.05 2hgl n ARG 49 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2hgl n GLU 50 N -2.00 1.54 0.00 5.56 -0.00 -1.26 -5.04 120.64 119.44 2hgl n GLU 50 Ca -0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 57.16 56.47 2hgl n GLU 50 Cb 0.06 -1.07 0.00 0.00 -0.00 0.00 0.00 31.44 30.43 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 0.70 0.69 3.13 -1.84 0.00 -0.57 -5.15 105.19 102.14 2hgl n GLY 51 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 2hgl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgl s ARG 52 N -0.11 0.67 0.62 1.61 0.52 -1.26 -4.96 118.95 116.05 2hgl s ARG 52 Ca 0.00 -1.08 -0.16 0.00 -0.52 0.00 0.00 55.73 53.97 2hgl s ARG 52 Cb 0.00 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.70 2hgl s ARG 52 CO 0.00 -0.16 1.10 -0.65 0.02 0.00 0.00 175.30 175.61 2hgl s GLN 53 N -3.72 3.03 0.00 3.54 -0.21 -1.26 -0.36 119.66 120.67 2hgl s GLN 53 Ca 0.05 1.38 0.10 0.00 0.02 0.00 0.00 55.36 56.91 2hgl s GLN 53 Cb 0.06 -1.98 -0.00 0.00 1.00 0.00 0.00 33.01 32.08 2hgl s GLN 53 CO -0.10 -1.07 0.64 -1.13 -2.12 0.00 0.00 175.29 171.52 2hgl n SER 54 N -2.13 1.23 -2.06 5.90 3.41 -1.09 -4.71 113.62 114.18 2hgl n SER 54 Ca 0.10 -1.11 -0.19 0.00 -0.26 0.00 0.00 58.87 57.41 2hgl n SER 54 Cb 0.52 0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 2hgl n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgl n GLY 55 N 0.90 0.45 3.23 5.00 0.00 -1.26 -4.91 105.19 108.61 2hgl n GLY 55 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.45 0.99 0.21 1.61 2.12 -1.26 -0.46 118.70 117.46 2hgl s GLU 56 Ca 0.00 -1.06 -0.22 0.00 0.36 0.00 0.00 54.97 54.05 2hgl s GLU 56 Cb 0.00 -1.13 0.06 0.00 0.26 0.00 0.00 34.13 33.32 2hgl s GLU 56 CO 0.00 0.26 0.92 0.00 -0.54 0.00 0.00 175.26 175.90 2hgl s ALA 57 N -1.20 -1.45 -0.05 6.30 0.00 0.27 -1.31 121.76 124.32 2hgl s ALA 57 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 2hgl s ALA 57 Cb -0.10 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2hgl s ALA 57 CO 0.03 -1.04 0.27 -0.06 0.00 0.00 0.00 175.76 174.96 2hgl s PHE 58 N -2.97 -0.20 -0.18 0.00 0.40 -0.01 -0.28 117.98 114.73 2hgl s PHE 58 Ca 0.15 0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 56.86 2hgl s PHE 58 Cb -0.03 0.08 0.07 0.00 0.51 0.00 0.00 43.02 43.65 2hgl s PHE 58 CO 0.05 -0.27 0.12 0.08 0.70 0.00 0.00 175.22 175.90 2hgl s VAL 59 N -0.68 -0.13 -0.71 -0.44 1.01 0.77 -0.59 120.40 119.62 2hgl s VAL 59 Ca -0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 2hgl s VAL 59 Cb -0.04 -0.61 -0.14 0.00 0.00 0.00 0.00 36.38 35.59 2hgl s VAL 59 CO 0.02 -0.28 2.41 -0.62 0.00 0.00 0.00 175.10 176.63 2hgl n GLU 60 N 5.29 0.65 -0.43 2.72 1.02 0.15 -0.37 120.64 129.67 2hgl n GLU 60 Ca -0.07 -0.44 -0.29 0.00 -0.02 0.00 0.00 57.16 56.34 2hgl n GLU 60 Cb 0.49 -3.28 0.27 0.00 -0.02 0.00 0.00 31.44 28.89 2hgl n GLU 60 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2hgl n LEU 61 N 16.30 -1.71 -0.69 -4.62 4.77 0.84 -2.13 117.00 129.76 2hgl n LEU 61 Ca 0.46 -0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2hgl n LEU 61 Cb 0.43 -1.18 0.05 0.00 -2.33 0.00 0.00 43.42 40.38 2hgl n LEU 61 CO 0.67 -3.60 0.46 0.61 -1.33 0.00 0.00 177.39 174.20 2hgl n GLY 62 N 1.28 0.44 3.85 -0.72 0.00 0.11 -2.24 105.19 107.93 2hgl n GLY 62 Ca 0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.09 -0.26 0.17 1.61 1.04 -1.26 -4.83 113.70 108.08 2hgl s SER 63 Ca 0.22 -0.60 0.25 0.00 0.48 0.00 0.00 55.95 56.30 2hgl s SER 63 Cb 0.18 0.73 0.91 0.00 0.10 0.00 0.00 66.02 67.94 2hgl s SER 63 CO 0.40 -1.34 1.76 1.21 0.98 0.00 0.00 173.24 176.25 2hgl n GLU 64 N -0.46 0.18 0.10 4.02 0.00 -1.26 -1.69 120.64 121.53 2hgl n GLU 64 Ca -0.04 0.24 -0.04 0.00 0.00 0.00 0.00 57.16 57.31 2hgl n GLU 64 Cb 0.59 -1.75 0.04 0.00 0.00 0.00 0.00 31.44 30.32 2hgl n GLU 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2hgl h ASP 65 N 0.00 0.02 -0.30 4.31 3.32 -1.98 -2.20 116.42 119.59 2hgl h ASP 65 Ca 0.00 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2hgl h ASP 65 Cb 0.56 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2hgl h ASP 65 CO 0.00 0.81 0.18 0.44 -1.72 0.00 0.00 179.24 178.94 2hgl h ASP 66 N 0.01 0.29 -0.20 6.45 3.32 -1.76 -0.51 116.42 124.02 2hgl h ASP 66 Ca -0.01 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.09 2hgl h ASP 66 Cb 1.41 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.85 2hgl h ASP 66 CO 0.10 0.21 -0.09 -0.37 -1.72 0.00 0.00 179.24 177.37 2hgl h VAL 67 N 0.37 0.70 -0.53 -1.35 -1.51 -1.20 -0.58 116.25 112.14 2hgl h VAL 67 Ca 0.12 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.68 2hgl h VAL 67 Cb -0.01 0.70 -0.08 0.00 -2.13 0.00 0.00 31.29 29.77 2hgl h VAL 67 CO -0.05 0.00 0.08 0.11 -1.23 0.00 0.00 177.57 176.48 2hgl h LYS 68 N -0.07 0.20 -0.41 5.19 1.57 -1.39 0.17 116.57 121.84 2hgl h LYS 68 Ca 0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2hgl h LYS 68 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2hgl h LYS 68 CO -0.25 0.13 0.24 0.52 -0.57 0.00 0.00 179.45 179.52 2hgl h MET 69 N 0.20 0.55 -0.05 3.15 2.86 -0.23 -1.80 114.93 119.61 2hgl h MET 69 Ca 0.27 -0.04 -0.21 0.00 -2.06 0.00 0.00 59.70 57.66 2hgl h MET 69 Cb 0.40 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2hgl h MET 69 CO -0.38 0.39 -0.83 0.00 1.06 0.00 0.00 176.91 177.15 2hgl h ALA 70 N 1.70 0.46 0.00 6.32 0.00 -0.47 -3.22 119.26 124.06 2hgl h ALA 70 Ca 0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2hgl h ALA 70 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hgl h ALA 70 CO -0.03 0.78 -0.06 -0.07 0.00 0.00 0.00 179.25 179.87 2hgl h LEU 71 N 0.29 0.00 -1.77 0.00 3.38 -0.01 -0.93 115.31 116.27 2hgl h LEU 71 Ca -0.06 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.15 2hgl h LEU 71 Cb 1.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 2hgl h LEU 71 CO 0.15 0.06 0.62 0.11 0.09 0.00 0.00 178.44 179.47 2hgl h LYS 72 N 0.00 0.18 -0.71 1.13 1.57 -1.36 -2.40 116.57 114.98 2hgl h LYS 72 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2hgl h LYS 72 Cb 0.12 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2hgl h LYS 72 CO 0.01 0.12 0.00 1.63 -0.57 0.00 0.00 179.45 180.63 2hgl n LYS 73 N -4.39 3.03 0.00 3.15 5.02 -0.36 -4.79 118.16 119.82 2hgl n LYS 73 Ca 0.19 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.78 2hgl n LYS 73 Cb 0.84 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 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 1.48 0.00 -0.04 4.39 5.75 -0.90 -2.33 116.55 124.89 2hgl n ASP 74 Ca 0.25 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 2hgl n ASP 74 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.62 0.00 0.00 0.11 1.74 -1.18 -2.95 116.66 113.75 2hgl n ARG 75 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2hgl n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 2.41 -3.90 5.56 0.28 -0.99 -4.79 120.64 119.22 2hgl n GLU 76 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 2hgl n GLU 76 Cb 0.44 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.22 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 -1.00 0.12 0.00 -1.84 1.04 -1.26 -0.51 113.70 110.26 2hgl s SER 77 Ca 0.00 -0.47 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 2hgl s SER 77 Cb 0.00 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2hgl s SER 77 CO 0.00 -0.53 0.25 -0.32 0.98 0.00 0.00 173.24 173.63 2hgl s MET 78 N -2.59 0.65 -1.46 4.02 1.75 -0.48 -4.91 119.30 116.28 2hgl s MET 78 Ca -0.05 -0.34 -0.10 0.00 -1.25 0.00 0.00 55.69 53.95 2hgl s MET 78 Cb -0.01 0.28 0.05 0.00 2.84 0.00 0.00 34.83 37.99 2hgl s MET 78 CO -0.04 -0.18 0.77 0.41 -0.65 0.00 0.00 175.02 175.33 2hgl n GLY 79 N 1.14 -0.51 2.44 2.11 0.00 -1.26 -1.75 105.19 107.36 2hgl n GLY 79 Ca -0.21 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2hgl n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hgl n HIS 80 N -4.48 -0.73 -4.01 1.61 -0.00 -1.26 -4.82 115.22 101.54 2hgl n HIS 80 Ca -0.02 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.08 2hgl n HIS 80 Cb 0.56 -3.68 -0.10 0.00 -0.12 0.00 0.00 29.99 26.65 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2hgl s ARG 81 N -4.60 0.57 0.37 1.57 1.81 -0.72 -5.09 118.95 112.86 2hgl s ARG 81 Ca 0.00 -0.96 -0.24 0.00 -1.72 0.00 0.00 55.73 52.81 2hgl s ARG 81 Cb 0.00 0.21 -0.10 0.00 -0.45 0.00 0.00 34.95 34.61 2hgl s ARG 81 CO 0.00 -0.12 0.96 0.71 -0.68 0.00 0.00 175.30 176.17 2hgl s TYR 82 N -3.10 3.50 -0.57 -0.53 2.02 -1.26 -1.39 117.35 116.02 2hgl s TYR 82 Ca -0.01 1.71 0.04 0.00 -0.37 0.00 0.00 57.07 58.44 2hgl s TYR 82 Cb 0.02 -2.94 0.16 0.00 -0.40 0.00 0.00 41.96 38.80 2hgl s TYR 82 CO -0.07 -0.04 0.39 0.42 -1.57 0.00 0.00 175.55 174.69 2hgl s ILE 83 N -1.80 1.95 0.27 2.71 -1.09 0.34 -1.28 121.20 122.30 2hgl s ILE 83 Ca 0.55 -3.49 -0.31 0.00 -2.23 0.00 0.00 60.65 55.17 2hgl s ILE 83 Cb -0.16 -2.31 -0.12 0.00 -1.58 0.00 0.00 42.46 38.29 2hgl s ILE 83 CO 0.21 -1.03 1.55 -0.62 -1.23 0.00 0.00 174.94 173.82 2hgl n GLU 84 N 2.55 2.50 -3.98 2.79 1.02 0.76 -3.13 120.64 123.14 2hgl n GLU 84 Ca 0.19 0.89 -0.31 0.00 -0.02 0.00 0.00 57.16 57.91 2hgl n GLU 84 Cb 0.38 -2.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.01 2hgl n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2hgl s VAL 85 N 0.09 1.88 0.13 2.62 1.01 -1.15 -1.36 120.40 123.62 2hgl s VAL 85 Ca 0.66 -1.67 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 2hgl s VAL 85 Cb -0.55 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 2hgl s VAL 85 CO 0.47 -0.26 0.40 -0.36 0.00 0.00 0.00 175.10 175.35 2hgl s PHE 86 N 1.19 3.50 0.30 5.22 0.40 0.15 -4.58 117.98 124.16 2hgl s PHE 86 Ca -0.01 0.67 -0.29 0.00 -0.60 0.00 0.00 56.93 56.70 2hgl s PHE 86 Cb -0.19 -2.08 -0.10 0.00 0.51 0.00 0.00 43.02 41.15 2hgl s PHE 86 CO -0.08 0.44 1.38 0.21 0.70 0.00 0.00 175.22 177.88 2hgl s LYS 87 N -2.41 4.29 0.25 0.44 2.20 -1.26 -0.64 119.74 122.60 2hgl s LYS 87 Ca 0.39 2.29 -0.13 0.00 -0.36 0.00 0.00 55.97 58.16 2hgl s LYS 87 Cb -0.13 -3.08 -0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2hgl s LYS 87 CO 0.22 -0.32 0.49 -1.12 -0.36 0.00 0.00 175.35 174.26 2hgl s SER 88 N -0.10 -0.07 0.06 1.43 0.01 -0.53 -4.65 113.70 109.84 2hgl s SER 88 Ca 0.54 -0.93 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 2hgl s SER 88 Cb -0.41 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 2hgl s SER 88 CO 0.50 -1.16 -0.04 -1.00 0.41 0.00 0.00 173.24 171.96 2hgl s HIS 89 N -3.98 0.58 0.35 2.43 0.09 -1.26 -3.55 115.29 109.95 2hgl s HIS 89 Ca 0.22 -1.03 0.03 0.00 -0.00 0.00 0.00 55.06 54.29 2hgl s HIS 89 Cb -0.01 -0.41 0.66 0.00 -0.00 0.00 0.00 32.58 32.82 2hgl s HIS 89 CO 0.09 -0.33 1.98 -0.09 -0.00 0.00 0.00 174.74 176.39 2hgl h ARG 90 N 3.16 0.72 0.17 1.40 1.12 -1.93 -1.60 114.38 117.41 2hgl h ARG 90 Ca -0.34 -0.07 0.02 0.00 -1.11 0.00 0.00 59.98 58.47 2hgl h ARG 90 Cb 1.15 -0.15 -0.04 0.00 -0.01 0.00 0.00 29.97 30.92 2hgl h ARG 90 CO 0.65 0.53 -0.39 1.79 -3.11 0.00 0.00 179.97 179.43 2hgl h THR 91 N 0.73 0.20 -0.39 0.20 1.35 -1.86 -0.94 112.91 112.19 2hgl h THR 91 Ca 0.19 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.96 2hgl h THR 91 Cb 0.02 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.62 2hgl h THR 91 CO -0.03 0.00 -0.10 -0.33 -0.25 0.00 0.00 175.52 174.81 2hgl h GLU 92 N -0.66 0.76 -0.75 4.72 3.07 -1.85 -2.88 114.58 116.99 2hgl h GLU 92 Ca 0.01 -0.30 0.06 0.00 -0.50 0.00 0.00 59.36 58.64 2hgl h GLU 92 Cb 0.67 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.48 2hgl h GLU 92 CO -0.20 0.90 0.44 1.98 -1.40 0.00 0.00 179.01 180.73 2hgl h MET 93 N 0.57 0.78 -0.16 2.33 4.05 -1.23 -1.34 114.93 119.94 2hgl h MET 93 Ca 0.10 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 2hgl h MET 93 Cb 0.63 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2hgl h MET 93 CO 0.04 0.52 -0.30 0.22 0.23 0.00 0.00 176.91 177.62 2hgl h ASP 94 N 0.81 0.31 0.31 1.39 3.58 -1.09 -2.57 116.42 119.14 2hgl h ASP 94 Ca 0.33 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2hgl h ASP 94 Cb 0.18 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2hgl h ASP 94 CO -0.18 0.60 -0.15 -0.25 -2.88 0.00 0.00 179.24 176.38 2hgl h TRP 95 N 0.27 -0.38 0.00 0.28 -0.00 -1.16 -3.11 115.95 111.84 2hgl h TRP 95 Ca 0.04 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.85 2hgl h TRP 95 Cb 0.66 0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.94 2hgl h TRP 95 CO 0.01 -0.14 -0.34 -0.39 -0.00 0.00 0.00 178.44 177.58 2hgl h VAL 96 N -0.56 0.78 -0.03 2.65 -1.51 -0.98 0.14 116.25 116.73 2hgl h VAL 96 Ca -0.04 -1.47 -0.24 0.00 -1.23 0.00 0.00 66.70 63.71 2hgl h VAL 96 Cb 0.41 1.93 0.02 0.00 -2.13 0.00 0.00 31.29 31.53 2hgl h VAL 96 CO 0.07 0.33 -0.92 -0.07 -1.23 0.00 0.00 177.57 175.76 2hgl h LEU 97 N 0.00 0.86 0.05 4.19 4.07 -1.59 -3.38 115.31 119.52 2hgl h LEU 97 Ca -0.00 -0.72 -0.08 0.00 0.08 0.00 0.00 57.88 57.16 2hgl h LEU 97 Cb 0.91 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 42.39 2hgl h LEU 97 CO 0.04 1.46 -0.37 0.11 -1.08 0.00 0.00 178.44 178.61 2hgl h LYS 98 N 0.34 0.10 -3.21 1.13 1.57 -1.43 -3.48 116.57 111.59 2hgl h LYS 98 Ca -0.11 -0.18 -0.21 0.00 -1.87 0.00 0.00 60.65 58.29 2hgl h LYS 98 Cb 1.57 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.92 2hgl h LYS 98 CO 0.18 1.08 -0.24 1.58 -0.57 0.00 0.00 179.45 181.49 2hgl n HIS 99 N -4.42 -1.19 0.00 -1.35 -0.00 0.49 -4.49 115.22 104.25 2hgl n HIS 99 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2hgl n HIS 99 Cb 0.61 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 2hgl n HIS 99 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2hgl n SER 100 N -1.24 0.00 -4.64 0.26 3.41 -1.26 -4.87 113.62 105.28 2hgl n SER 100 Ca -0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.29 2hgl n SER 100 Cb 0.51 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.00 1.31 0.00 5.00 0.00 -1.26 -5.26 105.19 104.98 2hgl n GLY 101 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27