#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 0.00 2.12 1.56 0.19 -2.53 117.12 118.46 2hgl n MET 2 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2hgl n MET 2 Cb 0.00 -0.06 0.00 0.00 2.15 0.00 0.00 33.22 35.31 2hgl n MET 2 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 2hgl n LEU 3 N 0.00 0.00 0.00 -0.89 7.94 -1.24 -4.49 117.00 118.32 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 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2hgl n LEU 3 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2hgl n GLY 4 N 0.00 -0.55 0.08 -3.96 0.00 -1.05 -4.52 105.19 95.19 2hgl n GLY 4 Ca 0.00 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 1.61 0.13 -1.88 -0.25 132.00 131.60 2hgl h PRO 5 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2hgl h PRO 5 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2hgl h PRO 5 CO 0.00 0.00 -0.20 1.05 -0.23 0.00 0.00 178.00 178.62 2hgl h GLU 6 N 0.00 0.00 0.00 0.86 9.09 -1.96 -3.45 114.58 119.12 2hgl h GLU 6 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2hgl h GLU 6 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 2hgl h GLU 6 CO 0.00 0.20 0.00 0.41 0.05 0.00 0.00 179.01 179.67 2hgl n GLY 7 N -0.76 -0.15 1.43 1.06 0.00 -1.26 -5.08 105.19 100.43 2hgl n GLY 7 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 1.90 0.12 -0.02 0.00 -1.26 -4.98 105.19 100.95 2hgl n GLY 8 Ca 0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 2hgl n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgl n GLU 9 N -0.21 0.66 0.00 1.61 4.71 -1.26 -0.56 120.64 125.58 2hgl n GLU 9 Ca -0.02 0.39 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 2hgl n GLU 9 Cb 0.23 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 2hgl n GLU 9 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hgl n GLY 10 N 1.72 2.66 2.01 0.62 0.00 -1.26 -0.64 105.19 110.30 2hgl n GLY 10 Ca -0.35 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 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 2.13 -2.21 1.61 3.72 -1.26 -4.50 117.46 116.95 2hgl n PHE 11 Ca 0.00 -2.09 -0.41 0.00 -0.05 0.00 0.00 57.45 54.91 2hgl n PHE 11 Cb 0.00 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -4.20 2.92 -0.03 -4.37 1.01 -1.25 -0.67 120.40 113.80 2hgl s VAL 12 Ca 0.45 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.43 2hgl s VAL 12 Cb 0.39 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 2hgl s VAL 12 CO 0.01 0.22 -0.25 0.68 0.00 0.00 0.00 175.10 175.76 2hgl s VAL 13 N -1.15 2.14 0.49 2.92 -7.23 0.16 -1.11 120.40 116.63 2hgl s VAL 13 Ca 0.48 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 59.41 2hgl s VAL 13 Cb -0.38 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 2hgl s VAL 13 CO 0.50 0.58 0.96 -0.75 -0.31 0.00 0.00 175.10 176.08 2hgl s LYS 14 N -0.53 3.97 0.16 4.82 2.20 0.66 0.01 119.74 131.03 2hgl s LYS 14 Ca 0.08 0.93 0.11 0.00 -0.36 0.00 0.00 55.97 56.72 2hgl s LYS 14 Cb -0.11 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 2hgl s LYS 14 CO -0.00 -0.22 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.04 2hgl s LEU 15 N -3.93 2.48 -0.03 5.43 1.02 0.58 -1.06 118.68 123.18 2hgl s LEU 15 Ca 0.59 -0.76 -0.02 0.00 0.02 0.00 0.00 54.13 53.95 2hgl s LEU 15 Cb -0.10 -1.28 0.01 0.00 0.02 0.00 0.00 46.19 44.84 2hgl s LEU 15 CO 0.29 0.14 0.08 -0.60 0.02 0.00 0.00 176.35 176.28 2hgl s ARG 16 N -2.43 0.08 0.00 1.70 3.00 -0.09 -1.74 118.95 119.47 2hgl s ARG 16 Ca 0.19 0.12 0.00 0.00 -1.00 0.00 0.00 55.73 55.04 2hgl s ARG 16 Cb -0.09 0.02 0.00 0.00 0.00 0.00 0.00 34.95 34.88 2hgl s ARG 16 CO 0.09 -0.02 0.00 0.41 0.00 0.00 0.00 175.30 175.78 2hgl n GLY 17 N 3.14 0.83 2.77 8.12 0.00 0.90 -0.44 105.19 120.51 2hgl n GLY 17 Ca -0.13 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.15 -4.78 0.99 4.77 -0.26 -3.76 117.00 111.80 2hgl n LEU 18 Ca 0.00 0.73 -0.30 0.00 -0.03 0.00 0.00 56.01 56.41 2hgl n LEU 18 Cb 0.00 -0.75 0.11 0.00 -2.33 0.00 0.00 43.42 40.45 2hgl n LEU 18 CO 0.00 -3.32 0.70 -2.16 -1.33 0.00 0.00 177.39 171.28 2hgl s PRO 19 N -0.84 1.69 0.00 3.23 0.04 -1.26 -4.13 135.00 133.74 2hgl s PRO 19 Ca 0.50 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2hgl s PRO 19 Cb -0.58 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2hgl s PRO 19 CO 0.51 -1.88 0.17 1.87 0.04 0.00 0.00 177.00 177.72 2hgl n TRP 20 N -3.60 0.00 -0.42 0.56 -0.00 -1.26 -2.06 117.44 110.66 2hgl n TRP 20 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 2hgl n TRP 20 Cb 0.57 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 2hgl n TRP 20 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2hgl n SER 21 N -0.11 0.33 -4.77 5.87 3.41 -1.26 -5.07 113.62 112.02 2hgl n SER 21 Ca 0.00 -0.80 -0.40 0.00 -0.26 0.00 0.00 58.87 57.40 2hgl n SER 21 Cb 0.02 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.64 0.33 0.46 0.00 1.04 -1.26 -5.02 113.70 108.62 2hgl s SER 23 Ca 0.50 -1.22 0.35 0.00 0.48 0.00 0.00 55.95 56.06 2hgl s SER 23 Cb -0.37 0.58 1.54 0.00 0.10 0.00 0.00 66.02 67.87 2hgl s SER 23 CO 0.49 -1.15 1.58 0.58 0.98 0.00 0.00 173.24 175.72 2hgl h VAL 24 N 2.26 0.00 0.00 5.02 2.07 -1.96 0.25 116.25 123.90 2hgl h VAL 24 Ca -0.29 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2hgl h VAL 24 Cb 1.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2hgl h VAL 24 CO 0.40 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 177.43 2hgl h GLU 25 N 0.00 0.00 0.00 1.57 3.07 -1.96 -3.12 114.58 114.14 2hgl h GLU 25 Ca 0.90 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.75 2hgl h GLU 25 Cb 2.99 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.90 2hgl h GLU 25 CO -0.41 0.23 -1.65 -3.47 -1.40 0.00 0.00 179.01 172.31 2hgl n ASP 26 N -3.21 0.31 0.07 1.42 2.03 0.72 -1.12 116.55 116.76 2hgl n ASP 26 Ca 0.02 0.12 -0.21 0.00 0.52 0.00 0.00 54.79 55.24 2hgl n ASP 26 Cb 0.56 1.41 -0.14 0.00 -0.72 0.00 0.00 41.12 42.23 2hgl n ASP 26 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2hgl h VAL 27 N 0.00 1.43 -0.54 5.18 3.04 -1.19 -1.18 116.25 122.99 2hgl h VAL 27 Ca -0.01 -2.51 -0.06 0.00 -1.01 0.00 0.00 66.70 63.10 2hgl h VAL 27 Cb 1.03 3.05 -0.02 0.00 -2.01 0.00 0.00 31.29 33.34 2hgl h VAL 27 CO 0.00 0.73 0.09 1.56 -1.01 0.00 0.00 177.57 178.94 2hgl h GLN 28 N -0.17 0.88 0.02 4.17 4.20 -1.67 -2.84 115.11 119.71 2hgl h GLN 28 Ca -0.16 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.33 2hgl h GLN 28 Cb 1.75 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.39 2hgl h GLN 28 CO 0.18 0.86 -0.14 -0.97 -0.67 0.00 0.00 178.83 178.09 2hgl h ASN 29 N 0.77 -0.40 -0.94 1.46 -1.24 -1.15 -0.64 115.58 113.44 2hgl h ASN 29 Ca 0.16 0.06 0.26 0.00 0.71 0.00 0.00 56.30 57.49 2hgl h ASN 29 Cb 0.40 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.56 2hgl h ASN 29 CO 0.01 -0.20 0.66 0.15 -1.29 0.00 0.00 177.43 176.76 2hgl h PHE 30 N -0.25 0.17 0.00 0.67 3.57 -1.16 -3.05 116.94 116.89 2hgl h PHE 30 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2hgl h PHE 30 Cb 0.30 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2hgl h PHE 30 CO -0.19 0.03 0.00 1.28 -2.23 0.00 0.00 178.31 177.21 2hgl n LEU 31 N -4.34 1.64 0.00 0.59 4.77 -1.08 -4.99 117.00 113.59 2hgl n LEU 31 Ca 0.20 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2hgl n LEU 31 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2hgl n LEU 31 CO 0.36 0.41 0.48 -1.54 -1.33 0.00 0.00 177.39 175.77 2hgl n SER 32 N -0.37 0.00 0.24 -1.43 3.41 -0.27 -0.37 113.62 114.83 2hgl n SER 32 Ca 0.00 0.01 0.09 0.00 -0.26 0.00 0.00 58.87 58.71 2hgl n SER 32 Cb 0.24 -0.01 0.66 0.00 -0.26 0.00 0.00 64.21 64.83 2hgl n SER 32 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2hgl h ASP 33 N 0.00 0.00 -4.19 4.04 2.03 -1.91 -3.48 116.42 112.91 2hgl h ASP 33 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 2hgl h ASP 33 Cb 0.93 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.48 2hgl h ASP 33 CO 0.00 0.00 0.38 0.00 -1.03 0.00 0.00 179.24 178.59 2hgl n THR 35 N -1.80 1.59 -1.01 0.00 -1.04 -1.26 -5.08 114.28 105.69 2hgl n THR 35 Ca 0.08 -0.23 0.09 0.00 -2.04 0.00 0.00 64.05 61.96 2hgl n THR 35 Cb 0.53 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.06 2hgl n THR 35 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2hgl n ILE 36 N -4.15 -0.40 0.59 12.58 -0.00 -1.26 -3.73 119.36 122.99 2hgl n ILE 36 Ca -0.35 0.46 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 2hgl n ILE 36 Cb 0.80 -0.71 0.00 0.00 -0.00 0.00 0.00 39.64 39.73 2hgl n ILE 36 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2hgl n HIS 37 N -3.61 0.00 0.00 1.39 -0.00 -1.01 -3.69 115.22 108.30 2hgl n HIS 37 Ca -0.04 -0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 2hgl n HIS 37 Cb 0.42 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 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 0.53 0.00 0.00 0.26 2.03 -1.26 -4.76 116.55 113.35 2hgl n ASP 38 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2hgl n ASP 38 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 4.40 0.00 0.27 0.00 -1.24 -4.87 105.19 103.75 2hgl n GLY 39 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.62 0.99 4.61 0.00 -1.26 -4.75 120.51 121.73 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 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2hgl n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgl n ALA 41 N -1.44 2.42 -0.04 0.00 0.00 -1.26 -1.80 120.51 118.38 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 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.05 0.92 3.88 0.00 0.00 -1.26 -4.85 105.19 103.94 2hgl n GLY 42 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.39 5.03 -0.06 1.61 -7.23 -0.74 -0.10 120.40 118.52 2hgl s VAL 43 Ca 0.00 0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 60.34 2hgl s VAL 43 Cb 0.00 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.34 2hgl s VAL 43 CO 0.00 0.00 0.31 -1.00 -0.31 0.00 0.00 175.10 174.11 2hgl s HIS 44 N -1.72 -0.25 0.05 2.82 0.09 0.62 -4.97 115.29 111.94 2hgl s HIS 44 Ca 0.44 0.52 0.08 0.00 -0.00 0.00 0.00 55.06 56.09 2hgl s HIS 44 Cb -0.12 0.10 -0.03 0.00 -0.00 0.00 0.00 32.58 32.54 2hgl s HIS 44 CO 0.22 -0.29 -0.22 -0.06 -0.00 0.00 0.00 174.74 174.39 2hgl s PHE 45 N -0.69 1.91 0.16 1.40 0.40 -1.26 -1.06 117.98 118.83 2hgl s PHE 45 Ca -0.08 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 2hgl s PHE 45 Cb -0.04 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 2hgl s PHE 45 CO 0.03 0.12 0.06 0.42 0.70 0.00 0.00 175.22 176.55 2hgl s ILE 46 N -0.85 4.13 -0.27 0.64 1.01 -0.61 -4.94 121.20 120.30 2hgl s ILE 46 Ca 0.08 -1.20 -0.24 0.00 0.00 0.00 0.00 60.65 59.30 2hgl s ILE 46 Cb -0.09 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.38 2hgl s ILE 46 CO 0.02 -0.07 0.73 -0.31 0.00 0.00 0.00 174.94 175.30 2hgl s TYR 47 N -1.68 -0.81 -0.62 3.97 2.02 -1.26 -1.57 117.35 117.39 2hgl s TYR 47 Ca 0.29 1.93 0.13 0.00 -0.37 0.00 0.00 57.07 59.05 2hgl s TYR 47 Cb -0.10 0.31 0.41 0.00 -0.40 0.00 0.00 41.96 42.19 2hgl s TYR 47 CO 0.21 -0.39 1.34 0.25 -1.57 0.00 0.00 175.55 175.38 2hgl n THR 48 N 2.86 1.56 -1.79 -0.71 -2.24 0.11 -4.53 114.28 109.55 2hgl n THR 48 Ca -0.15 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 2hgl n THR 48 Cb 0.55 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2hgl n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hgl n ARG 49 N 0.12 3.97 0.00 -0.78 5.12 -1.26 -4.99 116.66 118.84 2hgl n ARG 49 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2hgl n ARG 49 Cb 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.94 2hgl n ARG 49 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2hgl n GLU 50 N 0.00 0.00 -0.02 5.56 4.71 -1.26 -1.24 120.64 128.38 2hgl n GLU 50 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.21 2hgl n GLU 50 Cb 0.00 -1.46 0.06 0.00 -1.01 0.00 0.00 31.44 29.03 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 -0.81 0.08 2.48 0.62 0.00 -1.26 -4.94 105.19 101.36 2hgl n GLY 51 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 2hgl n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgl n ARG 52 N 0.67 0.39 -1.67 1.61 0.63 -0.38 -5.03 116.66 112.89 2hgl n ARG 52 Ca 0.08 -2.79 -0.50 0.00 -0.92 0.00 0.00 57.85 53.72 2hgl n ARG 52 Cb 0.32 -1.54 -0.05 0.00 0.45 0.00 0.00 32.46 31.64 2hgl n ARG 52 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2hgl n GLN 53 N 2.56 1.79 0.00 -0.14 7.27 -1.26 -0.71 117.38 126.89 2hgl n GLN 53 Ca 0.24 0.65 0.14 0.00 0.07 0.00 0.00 57.00 58.11 2hgl n GLN 53 Cb 0.52 -2.41 0.68 0.00 2.41 0.00 0.00 30.24 31.44 2hgl n GLN 53 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2hgl n SER 54 N 4.80 0.23 -2.45 1.69 3.41 -0.61 -4.86 113.62 115.84 2hgl n SER 54 Ca 0.21 -0.37 -0.15 0.00 -0.26 0.00 0.00 58.87 58.30 2hgl n SER 54 Cb 0.24 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.28 0.01 3.20 5.00 0.00 -1.26 -4.86 105.19 108.57 2hgl n GLY 55 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.83 1.11 0.37 1.61 2.02 -1.26 -0.07 118.70 116.65 2hgl s GLU 56 Ca 0.37 -1.52 -0.16 0.00 0.02 0.00 0.00 54.97 53.68 2hgl s GLU 56 Cb -0.16 0.27 0.05 0.00 0.10 0.00 0.00 34.13 34.39 2hgl s GLU 56 CO 0.46 -0.36 0.76 0.00 0.02 0.00 0.00 175.26 176.15 2hgl s ALA 57 N -4.10 -0.74 -0.02 5.21 0.00 -0.71 -1.57 121.76 119.82 2hgl s ALA 57 Ca 0.32 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 2hgl s ALA 57 Cb 0.07 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2hgl s ALA 57 CO 0.08 -0.98 0.11 -0.06 0.00 0.00 0.00 175.76 174.90 2hgl s PHE 58 N -2.60 -0.03 -0.23 0.00 0.40 -0.22 -0.31 117.98 114.99 2hgl s PHE 58 Ca 0.16 0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.53 2hgl s PHE 58 Cb -0.05 -0.01 0.11 0.00 0.51 0.00 0.00 43.02 43.57 2hgl s PHE 58 CO 0.11 -0.16 0.25 0.08 0.70 0.00 0.00 175.22 176.20 2hgl s VAL 59 N -0.61 -0.36 -0.59 -0.44 1.01 0.10 -0.27 120.40 119.24 2hgl s VAL 59 Ca -0.07 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 2hgl s VAL 59 Cb -0.04 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 2hgl s VAL 59 CO 0.01 -0.27 2.37 -1.61 0.00 0.00 0.00 175.10 175.59 2hgl s GLU 60 N 2.35 1.99 1.00 2.72 0.41 0.86 -0.66 118.70 127.36 2hgl s GLU 60 Ca 0.08 1.07 -0.12 0.00 -0.41 0.00 0.00 54.97 55.59 2hgl s GLU 60 Cb -0.15 -4.64 0.19 0.00 -1.78 0.00 0.00 34.13 27.74 2hgl s GLU 60 CO -0.17 -3.58 1.08 -0.51 -0.49 0.00 0.00 175.26 171.58 2hgl s LEU 61 N 12.73 1.70 0.00 1.80 1.43 0.15 -2.41 118.68 134.08 2hgl s LEU 61 Ca 0.94 1.41 0.26 0.00 -1.03 0.00 0.00 54.13 55.71 2hgl s LEU 61 Cb -0.15 -3.62 0.60 0.00 0.03 0.00 0.00 46.19 43.04 2hgl s LEU 61 CO 0.20 -3.22 1.48 0.61 0.23 0.00 0.00 176.35 175.65 2hgl n GLY 62 N -0.61 0.28 3.82 -3.19 0.00 -1.24 -3.63 105.19 100.63 2hgl n GLY 62 Ca 0.06 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.11 -0.19 0.32 1.61 1.04 -1.26 -4.78 113.70 108.32 2hgl s SER 63 Ca 0.31 -0.62 0.26 0.00 0.48 0.00 0.00 55.95 56.38 2hgl s SER 63 Cb 0.20 0.66 0.92 0.00 0.10 0.00 0.00 66.02 67.90 2hgl s SER 63 CO 0.37 -1.24 1.77 -0.08 0.98 0.00 0.00 173.24 175.04 2hgl h GLU 64 N 2.00 0.00 -0.05 4.02 4.81 -1.92 -1.92 114.58 121.52 2hgl h GLU 64 Ca -0.22 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 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 0.26 0.00 -0.63 -0.44 -0.73 0.00 0.00 179.01 177.47 2hgl h ASP 65 N 0.00 0.21 -0.73 1.04 3.32 -1.98 -1.65 116.42 116.63 2hgl h ASP 65 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2hgl h ASP 65 Cb 0.59 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 2hgl h ASP 65 CO 0.00 0.78 0.39 0.44 -1.72 0.00 0.00 179.24 179.13 2hgl h ASP 66 N 0.13 0.94 -0.26 6.45 3.32 -1.83 -0.04 116.42 125.13 2hgl h ASP 66 Ca -0.01 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 56.98 2hgl h ASP 66 Cb 1.14 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 2hgl h ASP 66 CO 0.09 0.77 0.09 -0.37 -1.72 0.00 0.00 179.24 178.10 2hgl h VAL 67 N 1.05 0.93 -0.99 -1.35 -1.51 -1.08 -1.90 116.25 111.41 2hgl h VAL 67 Ca 0.26 -0.07 0.11 0.00 -1.23 0.00 0.00 66.70 65.77 2hgl h VAL 67 Cb 0.06 0.71 -0.08 0.00 -2.13 0.00 0.00 31.29 29.84 2hgl h VAL 67 CO -0.04 0.04 0.62 0.11 -1.23 0.00 0.00 177.57 177.07 2hgl h LYS 68 N 0.21 0.98 -0.93 5.19 1.57 -1.10 0.10 116.57 122.59 2hgl h LYS 68 Ca 0.11 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2hgl h LYS 68 Cb 0.08 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.11 2hgl h LYS 68 CO -0.12 0.65 0.60 0.52 -0.57 0.00 0.00 179.45 180.54 2hgl h MET 69 N 1.01 1.05 -0.21 3.15 2.86 -0.31 -1.68 114.93 120.80 2hgl h MET 69 Ca 0.47 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.86 2hgl h MET 69 Cb 0.41 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2hgl h MET 69 CO -0.24 0.70 -0.64 0.00 1.06 0.00 0.00 176.91 177.79 2hgl h ALA 70 N 1.49 0.48 0.00 6.32 0.00 -0.46 -3.16 119.26 123.93 2hgl h ALA 70 Ca 0.39 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2hgl h ALA 70 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2hgl h ALA 70 CO -0.14 0.69 -0.08 -0.07 0.00 0.00 0.00 179.25 179.65 2hgl h LEU 71 N 0.55 0.00 -1.95 0.00 3.38 -0.47 -2.14 115.31 114.68 2hgl h LEU 71 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2hgl h LEU 71 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2hgl h LEU 71 CO 0.13 0.08 0.47 0.11 0.09 0.00 0.00 178.44 179.32 2hgl h LYS 72 N 0.00 0.00 -0.11 1.13 1.57 -1.28 -2.68 116.57 115.21 2hgl h LYS 72 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2hgl h LYS 72 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2hgl h LYS 72 CO 0.01 0.00 -0.06 1.63 -0.57 0.00 0.00 179.45 180.46 2hgl n LYS 73 N -3.69 1.85 0.00 3.15 4.76 -0.80 -4.92 118.16 118.50 2hgl n LYS 73 Ca 0.08 -2.79 0.01 0.00 -2.87 0.00 0.00 58.31 52.73 2hgl n LYS 73 Cb 0.65 -1.64 0.03 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.10 0.00 -1.78 4.39 5.75 -1.01 -2.03 116.55 120.76 2hgl n ASP 74 Ca 0.19 -0.04 -0.04 0.00 -0.01 0.00 0.00 54.79 54.89 2hgl n ASP 74 Cb 0.76 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.88 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 -0.96 0.64 -0.15 0.11 1.74 -1.18 -1.96 116.66 114.91 2hgl n ARG 75 Ca 0.01 -1.02 -0.05 0.00 -0.77 0.00 0.00 57.85 56.01 2hgl n ARG 75 Cb 0.00 0.45 0.05 0.00 -1.02 0.00 0.00 32.46 31.94 2hgl n ARG 75 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2hgl n GLU 76 N -0.73 -1.67 -4.50 5.56 -0.58 -0.86 -4.72 120.64 113.13 2hgl n GLU 76 Ca -0.21 -0.30 -0.26 0.00 -0.42 0.00 0.00 57.16 55.97 2hgl n GLU 76 Cb 0.76 -0.30 -0.10 0.00 -0.57 0.00 0.00 31.44 31.23 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 -2.08 3.82 -0.00 1.62 1.04 -1.26 -0.29 113.70 116.55 2hgl s SER 77 Ca 0.13 -1.16 0.05 0.00 0.48 0.00 0.00 55.95 55.45 2hgl s SER 77 Cb -0.01 -0.39 -0.07 0.00 0.10 0.00 0.00 66.02 65.65 2hgl s SER 77 CO 0.10 -0.21 0.18 1.15 0.98 0.00 0.00 173.24 175.43 2hgl n MET 78 N -0.83 2.76 0.00 4.02 0.00 -1.06 -4.85 117.12 117.17 2hgl n MET 78 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.63 2hgl n MET 78 Cb 0.63 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 32.91 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 1.64 2.09 4.72 3.17 0.00 -1.26 -4.99 105.19 110.56 2hgl n GLY 79 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.00 -3.71 1.61 8.25 -1.26 -4.86 115.22 115.25 2hgl n HIS 80 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2hgl n HIS 80 Cb 0.00 -1.12 -0.07 0.00 1.12 0.00 0.00 29.99 29.92 2hgl n HIS 80 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2hgl s ARG 81 N -0.26 0.87 0.37 -0.41 1.81 -1.26 -5.05 118.95 115.03 2hgl s ARG 81 Ca 0.00 -0.48 -0.04 0.00 -1.72 0.00 0.00 55.73 53.49 2hgl s ARG 81 Cb 0.00 0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 34.84 2hgl s ARG 81 CO 0.00 -0.29 0.64 0.71 -0.68 0.00 0.00 175.30 175.67 2hgl s TYR 82 N -2.66 3.51 -0.40 -0.53 1.51 -1.25 -2.56 117.35 114.97 2hgl s TYR 82 Ca -0.04 0.63 0.05 0.00 -1.01 0.00 0.00 57.07 56.70 2hgl s TYR 82 Cb -0.00 -2.12 0.20 0.00 -0.11 0.00 0.00 41.96 39.92 2hgl s TYR 82 CO -0.04 0.01 0.41 -0.89 -1.11 0.00 0.00 175.55 173.93 2hgl n ILE 83 N -1.61 -1.02 -2.15 2.71 2.08 0.60 -1.10 119.36 118.87 2hgl n ILE 83 Ca -0.02 -3.59 -0.42 0.00 0.56 0.00 0.00 62.75 59.29 2hgl n ILE 83 Cb 0.55 -1.71 -0.03 0.00 -0.75 0.00 0.00 39.64 37.70 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 -0.36 4.32 -0.16 0.38 2.12 0.42 -2.39 118.70 123.02 2hgl s GLU 84 Ca 0.34 2.11 0.01 0.00 0.36 0.00 0.00 54.97 57.78 2hgl s GLU 84 Cb 0.09 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.25 2hgl s GLU 84 CO -0.17 -0.43 -0.17 0.08 -0.54 0.00 0.00 175.26 174.03 2hgl s VAL 85 N 0.97 2.43 0.07 3.70 1.01 -0.83 -0.91 120.40 126.84 2hgl s VAL 85 Ca 0.64 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2hgl s VAL 85 Cb -0.38 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2hgl s VAL 85 CO 0.32 0.52 -0.03 -0.36 0.00 0.00 0.00 175.10 175.55 2hgl s PHE 86 N 0.95 2.94 0.40 5.22 0.40 -0.23 -4.66 117.98 123.00 2hgl s PHE 86 Ca -0.03 -0.04 -0.23 0.00 -0.60 0.00 0.00 56.93 56.02 2hgl s PHE 86 Cb -0.15 -1.54 -0.09 0.00 0.51 0.00 0.00 43.02 41.75 2hgl s PHE 86 CO -0.03 0.46 1.01 0.21 0.70 0.00 0.00 175.22 177.56 2hgl s LYS 87 N -2.13 4.22 0.34 0.44 2.20 -1.26 -0.25 119.74 123.31 2hgl s LYS 87 Ca 0.23 1.38 -0.12 0.00 -0.36 0.00 0.00 55.97 57.10 2hgl s LYS 87 Cb -0.11 -2.47 0.03 0.00 -1.51 0.00 0.00 37.83 33.76 2hgl s LYS 87 CO 0.16 -0.06 0.65 -1.12 -0.36 0.00 0.00 175.35 174.62 2hgl s SER 88 N -1.74 0.21 0.00 1.43 0.01 -0.27 -4.69 113.70 108.66 2hgl s SER 88 Ca 0.58 -1.14 0.03 0.00 1.31 0.00 0.00 55.95 56.73 2hgl s SER 88 Cb -0.18 0.75 -0.01 0.00 0.21 0.00 0.00 66.02 66.79 2hgl s SER 88 CO 0.23 -1.47 -0.10 -1.00 0.41 0.00 0.00 173.24 171.31 2hgl s HIS 89 N -2.94 0.92 0.38 2.43 0.09 -1.26 -3.97 115.29 110.94 2hgl s HIS 89 Ca 0.20 -0.22 0.06 0.00 -0.00 0.00 0.00 55.06 55.09 2hgl s HIS 89 Cb -0.03 -0.58 0.77 0.00 -0.00 0.00 0.00 32.58 32.74 2hgl s HIS 89 CO 0.13 -0.01 2.01 -0.09 -0.00 0.00 0.00 174.74 176.78 2hgl h ARG 90 N 5.63 0.68 -0.00 1.40 1.12 -1.94 -1.40 114.38 119.86 2hgl h ARG 90 Ca -0.33 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.50 2hgl h ARG 90 Cb 1.18 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.99 2hgl h ARG 90 CO 0.48 0.45 -0.00 1.15 -3.11 0.00 0.00 179.97 178.94 2hgl h THR 91 N 0.70 1.38 -0.22 0.20 2.02 -2.01 -2.89 112.91 112.08 2hgl h THR 91 Ca 0.23 -1.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.15 2hgl h THR 91 Cb 0.06 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2hgl h THR 91 CO -0.06 0.29 -0.49 -0.08 0.37 0.00 0.00 175.52 175.55 2hgl h GLU 92 N -0.47 0.60 -0.86 6.66 4.81 -1.98 -3.11 114.58 120.23 2hgl h GLU 92 Ca 0.00 -0.35 0.14 0.00 -0.13 0.00 0.00 59.36 59.03 2hgl h GLU 92 Cb 0.47 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 2hgl h GLU 92 CO 0.00 0.95 0.56 1.98 -0.73 0.00 0.00 179.01 181.77 2hgl h MET 93 N 0.48 0.61 -0.55 1.92 4.05 -1.29 -1.08 114.93 119.06 2hgl h MET 93 Ca 0.02 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 2hgl h MET 93 Cb 1.02 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.66 2hgl h MET 93 CO 0.10 0.41 0.20 0.22 0.23 0.00 0.00 176.91 178.06 2hgl h ASP 94 N 0.63 0.74 0.15 1.39 3.58 -1.43 -2.99 116.42 118.49 2hgl h ASP 94 Ca 0.43 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 2hgl h ASP 94 Cb 0.75 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2hgl h ASP 94 CO -0.19 0.68 -0.07 -0.25 -2.88 0.00 0.00 179.24 176.53 2hgl h TRP 95 N 0.79 -0.19 0.00 0.28 -0.00 -1.33 -3.38 115.95 112.13 2hgl h TRP 95 Ca 0.19 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 59.03 2hgl h TRP 95 Cb 0.19 0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.40 2hgl h TRP 95 CO 0.01 0.24 -0.21 -0.39 -0.00 0.00 0.00 178.44 178.09 2hgl h VAL 96 N -0.72 0.59 0.00 2.65 -1.51 -1.22 -0.54 116.25 115.50 2hgl h VAL 96 Ca -0.02 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 2hgl h VAL 96 Cb 0.51 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2hgl h VAL 96 CO 0.03 0.20 0.00 0.18 -1.23 0.00 0.00 177.57 176.76 2hgl n LEU 97 N -3.47 0.05 -3.07 4.19 4.32 -1.14 -4.57 117.00 113.30 2hgl n LEU 97 Ca -0.00 0.51 -0.16 0.00 -0.02 0.00 0.00 56.01 56.34 2hgl n LEU 97 Cb 0.38 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 2hgl n LEU 97 CO 0.33 -0.22 -0.08 1.17 -1.22 0.00 0.00 177.39 177.37 2hgl n LYS 98 N -1.55 0.98 0.00 3.23 4.81 -0.21 -4.96 118.16 120.47 2hgl n LYS 98 Ca 0.04 -2.99 0.00 0.00 -0.87 0.00 0.00 58.31 54.49 2hgl n LYS 98 Cb 0.21 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 0.32 0.00 -0.18 5.64 1.44 -1.23 -4.88 115.22 116.32 2hgl n HIS 99 Ca 0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 2hgl n HIS 99 Cb 0.67 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.78 2hgl n HIS 99 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2hgl n SER 100 N -0.31 0.00 0.00 4.39 2.88 -1.26 -5.09 113.62 114.23 2hgl n SER 100 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2hgl n SER 100 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2hgl n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgl n GLY 101 N 0.00 -0.96 0.84 0.46 0.00 -1.26 -5.08 105.19 99.19 2hgl n GLY 101 Ca 0.00 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.40 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77