#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgl h MET 2 N 0.00 -0.52 0.01 0.03 0.00 -2.01 -3.41 114.93 109.03 2hgl h MET 2 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 59.70 59.47 2hgl h MET 2 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 31.60 31.68 2hgl h MET 2 CO 0.00 -0.35 -1.46 -0.07 0.00 0.00 0.00 176.91 175.03 2hgl h LEU 3 N -0.54 0.03 0.00 1.22 3.38 -1.99 -3.29 115.31 114.11 2hgl h LEU 3 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hgl h LEU 3 Cb 0.65 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2hgl h LEU 3 CO -0.37 1.04 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2hgl n GLY 4 N 1.50 1.36 0.35 0.83 0.00 -1.26 -5.00 105.19 102.96 2hgl n GLY 4 Ca -0.11 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.03 2hgl n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hgl h PRO 5 N 0.00 0.00 0.00 1.61 0.11 -1.95 -0.39 132.00 131.38 2hgl h PRO 5 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hgl h PRO 5 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2hgl h PRO 5 CO 0.00 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.18 2hgl n GLU 6 N -3.20 0.42 0.00 1.05 4.71 -1.26 -4.42 120.64 117.94 2hgl n GLU 6 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 2hgl n GLU 6 Cb 0.42 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 2hgl n GLU 6 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hgl n GLY 7 N -0.15 0.00 4.66 0.62 0.00 -0.98 -5.00 105.19 104.34 2hgl n GLY 7 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.08 1.02 0.01 -0.02 0.00 -0.19 -4.23 105.19 101.71 2hgl n GLY 8 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.18 -3.65 1.61 0.28 -1.26 -5.02 120.64 114.78 2hgl n GLU 9 Ca 0.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.16 56.96 2hgl n GLU 9 Cb 0.00 -1.09 -0.02 0.00 1.43 0.00 0.00 31.44 31.76 2hgl n GLU 9 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2hgl s GLY 10 N -3.07 -0.19 -0.13 -1.84 0.00 -1.26 -4.82 107.32 96.01 2hgl s GLY 10 Ca -0.02 1.95 0.01 0.00 0.00 0.00 0.00 44.72 46.66 2hgl s GLY 10 CO 0.15 0.65 1.43 0.69 0.00 0.00 0.00 173.10 176.02 2hgl n PHE 11 N 0.00 0.80 -2.12 1.90 3.72 -1.26 -4.63 117.46 115.87 2hgl n PHE 11 Ca 0.06 -1.02 -0.41 0.00 -0.05 0.00 0.00 57.45 56.03 2hgl n PHE 11 Cb 0.56 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.94 2.74 -0.03 -4.37 1.01 -1.23 -0.48 120.40 117.10 2hgl s VAL 12 Ca 0.15 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.94 2hgl s VAL 12 Cb 0.12 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2hgl s VAL 12 CO 0.02 0.17 -0.26 0.68 0.00 0.00 0.00 175.10 175.72 2hgl s VAL 13 N -1.08 2.05 0.39 2.92 -7.23 0.40 -1.18 120.40 116.67 2hgl s VAL 13 Ca 0.49 -1.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.43 2hgl s VAL 13 Cb -0.40 -1.71 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 2hgl s VAL 13 CO 0.52 0.58 0.79 -0.75 -0.31 0.00 0.00 175.10 175.93 2hgl s LYS 14 N -0.49 3.90 -0.07 4.82 2.20 0.07 0.08 119.74 130.25 2hgl s LYS 14 Ca 0.06 0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 2hgl s LYS 14 Cb -0.11 -2.36 0.03 0.00 -1.51 0.00 0.00 37.83 33.87 2hgl s LYS 14 CO 0.00 0.00 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.48 2hgl s LEU 15 N -3.53 0.65 -0.14 5.43 1.43 0.40 -0.52 118.68 122.40 2hgl s LEU 15 Ca 0.54 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2hgl s LEU 15 Cb -0.10 -0.48 0.03 0.00 0.03 0.00 0.00 46.19 45.67 2hgl s LEU 15 CO 0.25 -0.19 -0.09 -0.60 0.23 0.00 0.00 176.35 175.96 2hgl s ARG 16 N 1.94 1.69 0.00 1.70 3.00 -0.10 -0.89 118.95 126.30 2hgl s ARG 16 Ca 0.05 -0.40 0.00 0.00 -1.00 0.00 0.00 55.73 54.38 2hgl s ARG 16 Cb -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 34.95 33.00 2hgl s ARG 16 CO -0.05 -0.30 0.00 0.41 0.00 0.00 0.00 175.30 175.35 2hgl n GLY 17 N 4.88 1.27 3.05 8.12 0.00 0.25 -0.52 105.19 122.23 2hgl n GLY 17 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.14 -4.76 0.99 -0.00 0.11 -4.05 117.00 104.16 2hgl n LEU 18 Ca 0.00 0.35 -0.39 0.00 -0.00 0.00 0.00 56.01 55.97 2hgl n LEU 18 Cb 0.00 -0.78 0.03 0.00 -0.00 0.00 0.00 43.42 42.67 2hgl n LEU 18 CO 0.00 -5.54 1.00 -2.16 -0.00 0.00 0.00 177.39 170.70 2hgl s PRO 19 N -1.62 3.35 0.00 1.47 0.05 -1.26 -4.02 135.00 132.97 2hgl s PRO 19 Ca 0.46 2.27 0.00 0.00 0.05 0.00 0.00 61.00 63.78 2hgl s PRO 19 Cb -0.29 -2.40 0.00 0.00 0.05 0.00 0.00 34.50 31.86 2hgl s PRO 19 CO 0.76 -1.04 0.54 -2.67 0.05 0.00 0.00 177.00 174.64 2hgl n TRP 20 N -0.73 0.00 -1.85 0.56 2.14 -1.26 -2.03 117.44 114.27 2hgl n TRP 20 Ca 0.08 -0.23 0.00 0.00 2.07 0.00 0.00 57.50 59.42 2hgl n TRP 20 Cb 0.44 -0.16 0.00 0.00 -0.81 0.00 0.00 31.31 30.78 2hgl n TRP 20 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2hgl n SER 21 N 0.58 0.00 -4.66 -0.67 2.88 -1.26 -4.63 113.62 105.86 2hgl n SER 21 Ca 0.00 -1.48 -0.30 0.00 -1.33 0.00 0.00 58.87 55.76 2hgl n SER 21 Cb 0.27 -0.10 0.17 0.00 -0.75 0.00 0.00 64.21 63.80 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 -2.98 0.16 0.51 0.00 1.04 -1.26 -5.03 113.70 106.14 2hgl s SER 23 Ca 0.65 -1.09 0.31 0.00 0.48 0.00 0.00 55.95 56.31 2hgl s SER 23 Cb -0.21 0.62 1.44 0.00 0.10 0.00 0.00 66.02 67.97 2hgl s SER 23 CO 0.59 -1.21 1.83 0.58 0.98 0.00 0.00 173.24 176.01 2hgl h VAL 24 N 2.21 0.49 0.00 5.02 2.07 -1.94 0.15 116.25 124.26 2hgl h VAL 24 Ca -0.27 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2hgl h VAL 24 Cb 1.25 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2hgl h VAL 24 CO 0.37 0.01 0.00 -0.33 0.02 0.00 0.00 177.57 177.65 2hgl h GLU 25 N 0.08 0.00 0.00 1.57 3.07 -1.96 -3.12 114.58 114.21 2hgl h GLU 25 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2hgl h GLU 25 Cb 1.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.80 2hgl h GLU 25 CO -0.06 0.00 -1.48 -3.47 -1.40 0.00 0.00 179.01 172.60 2hgl n ASP 26 N -3.02 0.76 0.01 1.42 2.03 0.44 -1.41 116.55 116.77 2hgl n ASP 26 Ca 0.03 -0.36 -0.18 0.00 0.52 0.00 0.00 54.79 54.81 2hgl n ASP 26 Cb 0.47 1.53 -0.12 0.00 -0.72 0.00 0.00 41.12 42.28 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 1.49 0.00 5.18 3.04 -1.37 -1.81 116.25 122.79 2hgl h VAL 27 Ca 0.00 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.49 2hgl h VAL 27 Cb 0.70 2.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.82 2hgl h VAL 27 CO 0.00 0.62 0.00 1.56 -1.01 0.00 0.00 177.57 178.74 2hgl h GLN 28 N -0.30 0.00 -0.00 4.17 4.20 -1.66 -0.66 115.11 120.85 2hgl h GLN 28 Ca -0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2hgl h GLN 28 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 2hgl h GLN 28 CO 0.11 0.00 -0.10 -0.97 -0.67 0.00 0.00 178.83 177.20 2hgl h ASN 29 N 0.00 0.09 -0.31 1.46 -1.24 -1.23 -1.10 115.58 113.25 2hgl h ASN 29 Ca 0.00 -0.76 0.08 0.00 0.71 0.00 0.00 56.30 56.33 2hgl h ASN 29 Cb 0.46 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 2hgl h ASN 29 CO 0.00 0.84 0.22 0.15 -1.29 0.00 0.00 177.43 177.36 2hgl h PHE 30 N -0.65 0.04 -0.93 0.67 3.57 -1.09 -2.89 116.94 115.66 2hgl h PHE 30 Ca -0.01 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.01 2hgl h PHE 30 Cb 0.86 -0.01 -0.42 0.00 2.79 0.00 0.00 35.95 39.16 2hgl h PHE 30 CO 0.19 0.02 -0.89 1.28 -2.23 0.00 0.00 178.31 176.68 2hgl n LEU 31 N -4.45 3.85 0.14 0.59 4.77 -0.28 -4.73 117.00 116.90 2hgl n LEU 31 Ca 0.04 -4.44 0.09 0.00 -0.03 0.00 0.00 56.01 51.67 2hgl n LEU 31 Cb 0.37 -0.13 0.49 0.00 -2.33 0.00 0.00 43.42 41.81 2hgl n LEU 31 CO 0.35 1.89 0.79 -0.24 -1.33 0.00 0.00 177.39 178.85 2hgl n SER 32 N -0.55 0.46 0.07 -1.43 2.88 -0.42 -0.77 113.62 113.87 2hgl n SER 32 Ca 0.32 0.70 0.17 0.00 -1.33 0.00 0.00 58.87 58.73 2hgl n SER 32 Cb 0.84 -0.75 0.68 0.00 -0.75 0.00 0.00 64.21 64.23 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 -3.88 -3.46 5.19 -1.86 -3.49 116.42 108.92 2hgl h ASP 33 Ca 0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 2hgl h ASP 33 Cb 0.09 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.44 2hgl h ASP 33 CO 0.00 0.00 -0.73 0.00 -3.12 0.00 0.00 179.24 175.39 2hgl s THR 35 N -2.92 4.20 0.25 0.00 2.01 -1.26 -5.04 115.64 112.88 2hgl s THR 35 Ca 0.15 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.97 2hgl s THR 35 Cb -0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2hgl s THR 35 CO 0.02 0.50 0.14 -0.63 -0.69 0.00 0.00 174.62 173.97 2hgl s ILE 36 N 0.15 4.21 -2.11 1.82 1.09 -1.26 -0.42 121.20 124.69 2hgl s ILE 36 Ca 0.01 -1.50 0.15 0.00 -1.10 0.00 0.00 60.65 58.21 2hgl s ILE 36 Cb -0.13 -3.26 0.37 0.00 -1.06 0.00 0.00 42.46 38.38 2hgl s ILE 36 CO 0.02 -0.33 1.43 1.57 -0.10 0.00 0.00 174.94 177.53 2hgl n HIS 37 N -1.03 0.20 0.09 3.97 -0.00 -0.44 -4.23 115.22 113.79 2hgl n HIS 37 Ca -0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2hgl n HIS 37 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 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 0.03 -0.68 0.00 0.26 2.03 -1.26 -4.95 116.55 111.98 2hgl n ASP 38 Ca 0.12 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.76 2hgl n ASP 38 Cb 0.22 0.78 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 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 0.74 2.00 0.00 0.27 0.00 -1.26 -4.89 105.19 102.05 2hgl n GLY 39 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.63 0.55 4.61 0.00 -1.26 -4.82 120.51 120.22 2hgl n ALA 40 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2hgl n ALA 40 Cb 0.00 0.01 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.36 3.03 -1.98 0.00 0.00 -1.26 -3.19 120.51 116.75 2hgl n ALA 41 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2hgl n ALA 41 Cb 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.76 2.82 0.00 0.00 -1.26 -4.73 105.19 102.92 2hgl n GLY 42 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 2hgl n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgl s VAL 43 N 0.00 -0.32 -0.44 1.61 -7.23 -1.19 -0.17 120.40 112.65 2hgl s VAL 43 Ca 0.00 0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2hgl s VAL 43 Cb 0.00 -0.54 0.14 0.00 0.56 0.00 0.00 36.38 36.55 2hgl s VAL 43 CO 0.00 -0.06 0.27 -1.00 -0.31 0.00 0.00 175.10 174.00 2hgl s HIS 44 N 2.33 1.75 0.29 2.82 0.09 0.89 -4.92 115.29 118.54 2hgl s HIS 44 Ca 0.05 -2.33 -0.29 0.00 -0.00 0.00 0.00 55.06 52.48 2hgl s HIS 44 Cb -0.14 -1.64 -0.10 0.00 -0.00 0.00 0.00 32.58 30.70 2hgl s HIS 44 CO -0.10 -0.78 1.35 -0.06 -0.00 0.00 0.00 174.74 175.15 2hgl s PHE 45 N 0.30 3.07 -0.03 1.40 0.08 -1.26 -1.23 117.98 120.30 2hgl s PHE 45 Ca 0.20 1.26 -0.05 0.00 0.12 0.00 0.00 56.93 58.47 2hgl s PHE 45 Cb -0.18 -3.72 -0.04 0.00 -0.57 0.00 0.00 43.02 38.51 2hgl s PHE 45 CO -0.04 -2.12 0.20 0.42 -0.10 0.00 0.00 175.22 173.58 2hgl s ILE 46 N -0.60 5.42 -0.00 0.64 1.01 -0.59 -4.96 121.20 122.11 2hgl s ILE 46 Ca 0.53 0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.20 2hgl s ILE 46 Cb -0.40 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2hgl s ILE 46 CO 0.48 0.40 -0.02 -0.31 0.00 0.00 0.00 174.94 175.50 2hgl s TYR 47 N -1.25 0.18 -0.28 3.97 2.02 -1.26 -1.19 117.35 119.54 2hgl s TYR 47 Ca 0.24 -0.02 0.09 0.00 -0.37 0.00 0.00 57.07 57.01 2hgl s TYR 47 Cb -0.13 -0.14 0.45 0.00 -0.40 0.00 0.00 41.96 41.75 2hgl s TYR 47 CO 0.15 -0.02 1.31 2.41 -1.57 0.00 0.00 175.55 177.83 2hgl n THR 48 N 3.17 2.46 -4.46 -0.71 -1.04 -0.56 -2.08 114.28 111.07 2hgl n THR 48 Ca -0.14 -3.42 -0.40 0.00 -2.04 0.00 0.00 64.05 58.05 2hgl n THR 48 Cb 0.58 -0.57 -0.07 0.00 -1.82 0.00 0.00 70.33 68.45 2hgl n THR 48 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2hgl n ARG 49 N -0.99 -1.27 0.00 -2.82 -4.01 -1.26 -4.74 116.66 101.56 2hgl n ARG 49 Ca 0.32 0.19 0.00 0.00 -1.04 0.00 0.00 57.85 57.32 2hgl n ARG 49 Cb 0.86 -4.71 0.00 0.00 -3.04 0.00 0.00 32.46 25.57 2hgl n ARG 49 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2hgl n GLU 50 N -4.17 1.65 -1.61 2.89 2.13 -1.26 -4.96 120.64 115.31 2hgl n GLU 50 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2hgl n GLU 50 Cb 0.48 -0.14 0.00 0.00 0.27 0.00 0.00 31.44 32.05 2hgl n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgl n GLY 51 N 0.00 0.96 3.35 8.31 0.00 -1.03 -5.07 105.19 111.71 2hgl n GLY 51 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.20 0.68 0.31 1.61 3.52 -0.43 -5.02 118.95 116.41 2hgl s ARG 52 Ca 0.00 0.31 -0.24 0.00 -0.13 0.00 0.00 55.73 55.67 2hgl s ARG 52 Cb 0.00 0.32 -0.10 0.00 -1.56 0.00 0.00 34.95 33.61 2hgl s ARG 52 CO 0.00 -0.15 0.90 1.14 -0.81 0.00 0.00 175.30 176.38 2hgl s GLN 53 N -0.51 4.48 0.07 5.12 -2.07 -1.26 -1.50 119.66 123.99 2hgl s GLN 53 Ca -0.06 1.21 0.26 0.00 -1.82 0.00 0.00 55.36 54.95 2hgl s GLN 53 Cb -0.03 -2.76 0.73 0.00 -1.09 0.00 0.00 33.01 29.85 2hgl s GLN 53 CO 0.03 0.28 1.60 -1.13 -1.32 0.00 0.00 175.29 174.76 2hgl n SER 54 N 0.49 0.47 -1.79 12.60 3.41 -0.33 -4.63 113.62 123.84 2hgl n SER 54 Ca 0.01 0.21 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 2hgl n SER 54 Cb 0.51 -0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.42 -0.22 3.12 5.00 0.00 -1.26 -4.94 105.19 108.31 2hgl n GLY 55 Ca 0.05 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.86 0.68 0.31 1.61 2.02 -1.26 -0.58 118.70 116.62 2hgl s GLU 56 Ca 0.04 -1.00 -0.18 0.00 0.02 0.00 0.00 54.97 53.85 2hgl s GLU 56 Cb -0.02 -0.34 0.03 0.00 0.10 0.00 0.00 34.13 33.90 2hgl s GLU 56 CO 0.05 0.04 0.72 0.00 0.02 0.00 0.00 175.26 176.10 2hgl s ALA 57 N -2.17 -0.96 0.03 5.21 0.00 -0.07 -1.55 121.76 122.25 2hgl s ALA 57 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2hgl s ALA 57 Cb -0.05 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2hgl s ALA 57 CO -0.01 -1.01 -0.04 -0.06 0.00 0.00 0.00 175.76 174.64 2hgl s PHE 58 N -3.38 0.37 -0.24 0.00 0.40 -0.36 -0.46 117.98 114.31 2hgl s PHE 58 Ca 0.14 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2hgl s PHE 58 Cb -0.05 -0.25 0.13 0.00 0.51 0.00 0.00 43.02 43.35 2hgl s PHE 58 CO 0.09 -0.19 0.34 0.08 0.70 0.00 0.00 175.22 176.24 2hgl s VAL 59 N -1.73 -0.52 -0.62 -0.44 1.01 0.11 -0.08 120.40 118.14 2hgl s VAL 59 Ca -0.12 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 2hgl s VAL 59 Cb -0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2hgl s VAL 59 CO -0.02 -0.19 1.93 -1.61 0.00 0.00 0.00 175.10 175.21 2hgl s GLU 60 N 2.48 2.55 0.88 2.72 0.41 0.75 -0.45 118.70 128.04 2hgl s GLU 60 Ca 0.11 0.64 -0.12 0.00 -0.41 0.00 0.00 54.97 55.19 2hgl s GLU 60 Cb -0.15 -4.46 0.12 0.00 -1.78 0.00 0.00 34.13 27.86 2hgl s GLU 60 CO -0.18 -2.85 1.11 -0.51 -0.49 0.00 0.00 175.26 172.34 2hgl s LEU 61 N 9.54 2.20 0.00 1.80 1.43 0.37 -1.33 118.68 132.70 2hgl s LEU 61 Ca 0.71 1.17 0.29 0.00 -1.03 0.00 0.00 54.13 55.27 2hgl s LEU 61 Cb -0.13 -3.59 1.20 0.00 0.03 0.00 0.00 46.19 43.69 2hgl s LEU 61 CO 0.20 -2.42 1.87 0.61 0.23 0.00 0.00 176.35 176.84 2hgl n GLY 62 N -1.92 -1.31 3.82 -3.19 0.00 0.44 -3.71 105.19 99.32 2hgl n GLY 62 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 2hgl n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hgl s SER 63 N -2.81 -0.09 0.27 1.61 0.15 -1.26 -4.87 113.70 106.70 2hgl s SER 63 Ca 0.20 -0.63 0.26 0.00 0.70 0.00 0.00 55.95 56.47 2hgl s SER 63 Cb 0.19 0.57 0.79 0.00 -1.71 0.00 0.00 66.02 65.86 2hgl s SER 63 CO 0.53 -1.09 1.75 -0.08 1.20 0.00 0.00 173.24 175.54 2hgl h GLU 64 N 2.00 0.00 -0.25 5.44 4.57 -1.89 -1.14 114.58 123.31 2hgl h GLU 64 Ca -0.26 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.97 2hgl h GLU 64 Cb 1.23 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 2hgl h GLU 64 CO 0.31 0.00 -0.06 -0.44 -1.18 0.00 0.00 179.01 177.64 2hgl h ASP 65 N 0.00 -0.23 -0.92 1.04 3.32 -1.80 -0.52 116.42 117.31 2hgl h ASP 65 Ca 0.00 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2hgl h ASP 65 Cb 0.70 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 2hgl h ASP 65 CO 0.00 -0.08 0.54 0.44 -1.72 0.00 0.00 179.24 178.42 2hgl h ASP 66 N 0.00 1.12 -0.10 6.45 3.32 -1.72 0.49 116.42 125.98 2hgl h ASP 66 Ca 0.12 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2hgl h ASP 66 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2hgl h ASP 66 CO -0.26 0.87 -0.06 -0.37 -1.72 0.00 0.00 179.24 177.70 2hgl h VAL 67 N 1.27 0.81 -0.56 -1.35 -1.51 -1.01 -0.37 116.25 113.53 2hgl h VAL 67 Ca 0.33 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.90 2hgl h VAL 67 Cb -0.03 0.81 -0.08 0.00 -2.13 0.00 0.00 31.29 29.85 2hgl h VAL 67 CO -0.06 0.00 0.07 0.11 -1.23 0.00 0.00 177.57 176.46 2hgl h LYS 68 N -0.06 0.19 -0.16 5.19 6.56 -0.76 0.16 116.57 127.69 2hgl h LYS 68 Ca 0.06 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.61 2hgl h LYS 68 Cb 0.15 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2hgl h LYS 68 CO -0.14 0.12 -0.05 0.52 -2.06 0.00 0.00 179.45 177.85 2hgl h MET 69 N 0.19 0.23 0.01 3.15 2.86 -0.48 -2.25 114.93 118.65 2hgl h MET 69 Ca 0.29 -0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.65 2hgl h MET 69 Cb 0.43 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.06 2hgl h MET 69 CO -0.41 0.29 -1.00 0.00 1.06 0.00 0.00 176.91 176.85 2hgl h ALA 70 N 1.74 0.27 0.00 6.32 0.00 -0.02 -3.25 119.26 124.32 2hgl h ALA 70 Ca 0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2hgl h ALA 70 Cb 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2hgl h ALA 70 CO 0.01 0.79 -0.00 -0.07 0.00 0.00 0.00 179.25 179.97 2hgl h LEU 71 N 0.27 0.00 -1.92 0.00 3.38 -0.18 -1.23 115.31 115.63 2hgl h LEU 71 Ca -0.10 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.11 2hgl h LEU 71 Cb 1.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.36 2hgl h LEU 71 CO 0.18 0.00 0.60 0.11 0.09 0.00 0.00 178.44 179.42 2hgl h LYS 72 N 0.00 0.06 -0.42 1.13 1.57 -1.46 -2.13 116.57 115.32 2hgl h LYS 72 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hgl h LYS 72 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2hgl h LYS 72 CO 0.00 0.04 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 2hgl n LYS 73 N -4.32 2.28 0.00 3.15 4.76 -0.46 -4.83 118.16 118.73 2hgl n LYS 73 Ca 0.18 -1.96 0.00 0.00 -2.87 0.00 0.00 58.31 53.66 2hgl n LYS 73 Cb 0.87 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 32.61 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 1.13 0.00 -0.01 4.39 5.75 -0.80 -1.52 116.55 125.48 2hgl n ASP 74 Ca 0.19 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 2hgl n ASP 74 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.59 0.00 -0.49 0.11 1.74 -1.24 -2.94 116.66 113.25 2hgl n ARG 75 Ca 0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2hgl n ARG 75 Cb 0.00 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 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 1.22 -3.91 5.56 0.28 -0.58 -4.81 120.64 118.40 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 0.50 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.27 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 -0.06 -1.84 1.04 -1.26 -0.37 113.70 110.33 2hgl s SER 77 Ca 0.00 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 55.86 2hgl s SER 77 Cb 0.00 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.36 2hgl s SER 77 CO 0.00 -0.43 0.40 -0.32 0.98 0.00 0.00 173.24 173.87 2hgl s MET 78 N -2.00 0.68 -1.58 4.02 1.75 0.61 -4.88 119.30 117.90 2hgl s MET 78 Ca -0.10 0.11 -0.03 0.00 -1.25 0.00 0.00 55.69 54.42 2hgl s MET 78 Cb -0.05 0.31 0.00 0.00 2.84 0.00 0.00 34.83 37.94 2hgl s MET 78 CO -0.02 -0.17 0.37 0.41 -0.65 0.00 0.00 175.02 174.96 2hgl n GLY 79 N 1.66 -0.46 2.69 2.11 0.00 -1.26 -2.52 105.19 107.41 2hgl n GLY 79 Ca -0.19 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.30 -1.47 -3.82 1.61 -0.00 -1.26 -4.81 115.22 101.16 2hgl n HIS 80 Ca -0.16 0.20 -0.11 0.00 0.46 0.00 0.00 57.72 58.11 2hgl n HIS 80 Cb 0.64 -3.69 -0.08 0.00 -0.12 0.00 0.00 29.99 26.74 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 -5.34 0.68 0.28 1.57 1.81 -1.05 -5.03 118.95 111.87 2hgl s ARG 81 Ca 0.13 -0.54 -0.12 0.00 -1.72 0.00 0.00 55.73 53.48 2hgl s ARG 81 Cb -0.06 0.29 -0.08 0.00 -0.45 0.00 0.00 34.95 34.65 2hgl s ARG 81 CO 0.16 -0.20 0.64 0.71 -0.68 0.00 0.00 175.30 175.94 2hgl s TYR 82 N -2.29 3.40 -0.48 -0.53 2.02 -1.26 -0.28 117.35 117.93 2hgl s TYR 82 Ca -0.07 1.04 0.03 0.00 -0.37 0.00 0.00 57.07 57.70 2hgl s TYR 82 Cb -0.02 -2.39 0.16 0.00 -0.40 0.00 0.00 41.96 39.30 2hgl s TYR 82 CO -0.02 0.18 0.34 0.42 -1.57 0.00 0.00 175.55 174.90 2hgl s ILE 83 N -1.91 1.15 -0.19 2.71 -1.09 0.50 -0.72 121.20 121.66 2hgl s ILE 83 Ca 0.51 -2.93 -0.29 0.00 -2.23 0.00 0.00 60.65 55.71 2hgl s ILE 83 Cb -0.11 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 2hgl s ILE 83 CO 0.20 -1.09 1.76 -0.70 -1.23 0.00 0.00 174.94 173.88 2hgl s GLU 84 N -0.14 3.71 -0.40 2.79 2.12 0.32 -3.68 118.70 123.42 2hgl s GLU 84 Ca 0.26 1.83 -0.18 0.00 0.36 0.00 0.00 54.97 57.24 2hgl s GLU 84 Cb -0.07 -4.11 0.01 0.00 0.26 0.00 0.00 34.13 30.22 2hgl s GLU 84 CO -0.13 -1.40 0.46 0.08 -0.54 0.00 0.00 175.26 173.73 2hgl s VAL 85 N 5.67 5.06 0.10 3.70 1.01 -1.15 -0.92 120.40 133.86 2hgl s VAL 85 Ca 0.78 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 2hgl s VAL 85 Cb -0.28 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2hgl s VAL 85 CO 0.32 -0.37 0.33 -0.36 0.00 0.00 0.00 175.10 175.02 2hgl s PHE 86 N 2.24 3.50 0.04 5.22 0.40 0.32 -4.69 117.98 125.01 2hgl s PHE 86 Ca 0.14 0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 56.67 2hgl s PHE 86 Cb -0.16 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 2hgl s PHE 86 CO 0.14 0.50 1.13 0.21 0.70 0.00 0.00 175.22 177.89 2hgl s LYS 87 N -2.46 4.47 0.26 0.44 2.36 -1.26 -0.75 119.74 122.80 2hgl s LYS 87 Ca 0.37 1.65 -0.05 0.00 -2.55 0.00 0.00 55.97 55.40 2hgl s LYS 87 Cb -0.13 -3.39 -0.02 0.00 -1.05 0.00 0.00 37.83 33.25 2hgl s LYS 87 CO 0.24 -0.19 0.35 -1.12 1.55 0.00 0.00 175.35 176.18 2hgl s SER 88 N 1.05 0.34 0.16 1.43 0.01 -0.32 -4.80 113.70 111.56 2hgl s SER 88 Ca 0.56 -1.27 0.03 0.00 1.31 0.00 0.00 55.95 56.58 2hgl s SER 88 Cb -0.27 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 2hgl s SER 88 CO 0.29 -1.08 -0.04 -1.00 0.41 0.00 0.00 173.24 171.82 2hgl s HIS 89 N -3.79 1.19 0.09 2.43 0.09 -1.26 -3.47 115.29 110.56 2hgl s HIS 89 Ca 0.31 -0.92 -0.18 0.00 -0.00 0.00 0.00 55.06 54.28 2hgl s HIS 89 Cb 0.02 -0.66 -0.08 0.00 -0.00 0.00 0.00 32.58 31.86 2hgl s HIS 89 CO 0.14 -0.10 1.50 0.00 -0.00 0.00 0.00 174.74 176.28 2hgl h ARG 90 N 2.75 0.51 -0.39 1.40 3.08 -1.88 -0.26 114.38 119.59 2hgl h ARG 90 Ca -0.37 -0.18 0.07 0.00 0.07 0.00 0.00 59.98 59.58 2hgl h ARG 90 Cb 1.19 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.14 2hgl h ARG 90 CO 0.64 0.70 -0.02 1.79 -1.07 0.00 0.00 179.97 182.00 2hgl h THR 91 N 0.28 0.69 -0.06 2.04 1.35 -1.97 -0.43 112.91 114.80 2hgl h THR 91 Ca 0.07 -0.03 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2hgl h THR 91 Cb 0.49 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2hgl h THR 91 CO 0.02 0.02 0.02 -0.08 -0.25 0.00 0.00 175.52 175.25 2hgl h GLU 92 N 0.08 0.09 -0.80 4.72 4.81 -1.93 -1.65 114.58 119.91 2hgl h GLU 92 Ca 0.19 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2hgl h GLU 92 Cb 0.27 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2hgl h GLU 92 CO -0.33 0.24 0.45 1.98 -0.73 0.00 0.00 179.01 180.62 2hgl h MET 93 N -0.08 1.11 -0.30 1.92 4.05 -0.95 -1.44 114.93 119.24 2hgl h MET 93 Ca 0.02 -0.12 -0.07 0.00 -0.28 0.00 0.00 59.70 59.25 2hgl h MET 93 Cb 0.19 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 2hgl h MET 93 CO -0.00 0.80 -0.12 0.22 0.23 0.00 0.00 176.91 178.04 2hgl h ASP 94 N 1.12 0.50 0.40 1.39 3.58 -0.85 -2.55 116.42 120.01 2hgl h ASP 94 Ca 0.28 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 2hgl h ASP 94 Cb 0.01 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2hgl h ASP 94 CO -0.05 0.66 -0.19 -0.25 -2.88 0.00 0.00 179.24 176.52 2hgl h TRP 95 N 0.47 -0.50 -0.13 0.28 -0.00 -0.88 -3.26 115.95 111.94 2hgl h TRP 95 Ca 0.09 -0.01 -0.16 0.00 -0.00 0.00 0.00 58.89 58.81 2hgl h TRP 95 Cb 0.50 0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.82 2hgl h TRP 95 CO 0.02 -0.19 -0.59 -0.39 -0.00 0.00 0.00 178.44 177.28 2hgl h VAL 96 N -0.81 1.35 0.00 2.65 -1.51 -1.12 -2.11 116.25 114.70 2hgl h VAL 96 Ca -0.06 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.52 2hgl h VAL 96 Cb 0.54 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2hgl h VAL 96 CO 0.09 0.58 0.00 0.18 -1.23 0.00 0.00 177.57 177.19 2hgl n LEU 97 N -3.92 0.69 0.14 4.19 4.32 -0.97 -2.88 117.00 118.57 2hgl n LEU 97 Ca -0.03 0.65 -0.24 0.00 -0.02 0.00 0.00 56.01 56.37 2hgl n LEU 97 Cb 0.62 -0.53 -0.16 0.00 -1.62 0.00 0.00 43.42 41.73 2hgl n LEU 97 CO 0.46 -0.49 -0.24 0.50 -1.22 0.00 0.00 177.39 176.41 2hgl h LYS 98 N 0.00 0.52 -2.25 3.23 1.63 -1.43 -3.34 116.57 114.94 2hgl h LYS 98 Ca 0.00 -0.89 -0.06 0.00 -0.85 0.00 0.00 60.65 58.85 2hgl h LYS 98 Cb 0.43 0.33 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 2hgl h LYS 98 CO 0.00 1.43 -0.00 1.58 -3.45 0.00 0.00 179.45 179.00 2hgl n HIS 99 N -3.70 0.00 -3.99 1.91 -0.00 -1.07 -4.83 115.22 103.54 2hgl n HIS 99 Ca -0.17 -0.73 -0.13 0.00 0.46 0.00 0.00 57.72 57.15 2hgl n HIS 99 Cb 1.10 -0.79 -0.02 0.00 -0.12 0.00 0.00 29.99 30.16 2hgl n HIS 99 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2hgl s SER 100 N 2.25 0.63 0.00 0.26 0.01 -1.25 -5.00 113.70 110.60 2hgl s SER 100 Ca 0.22 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2hgl s SER 100 Cb 0.11 0.73 0.00 0.00 0.21 0.00 0.00 66.02 67.07 2hgl s SER 100 CO 0.00 -1.44 0.00 0.61 0.41 0.00 0.00 173.24 172.82 2hgl n GLY 101 N -0.56 3.74 0.00 3.44 0.00 -0.88 -4.88 105.19 106.05 2hgl n GLY 101 Ca -0.02 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2hgl n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77