#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi s PHE 6 N 0.00 2.47 -0.03 1.24 2.99 -1.26 -3.85 117.98 119.54 2hgi s PHE 6 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 56.93 56.61 2hgi s PHE 6 Cb 0.00 -4.49 -0.03 0.00 0.00 0.00 0.00 43.02 38.50 2hgi s PHE 6 CO 0.00 -1.82 1.11 -2.00 -0.00 0.00 0.00 175.22 172.50 2hgi s GLU 7 N 5.11 4.43 -0.38 0.44 2.56 0.58 -4.79 118.70 126.65 2hgi s GLU 7 Ca 0.34 1.57 -0.15 0.00 0.00 0.00 0.00 54.97 56.73 2hgi s GLU 7 Cb -0.10 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.55 2hgi s GLU 7 CO 0.17 -0.29 0.35 -1.83 -0.56 0.00 0.00 175.26 173.11 2hgi s GLU 8 N 1.65 3.31 -0.39 4.30 4.04 -1.26 -1.41 118.70 128.95 2hgi s GLU 8 Ca 0.54 -0.66 -0.11 0.00 0.04 0.00 0.00 54.97 54.78 2hgi s GLU 8 Cb -0.23 -3.88 0.04 0.00 0.02 0.00 0.00 34.13 30.07 2hgi s GLU 8 CO 0.24 -0.65 0.22 0.15 -1.84 0.00 0.00 175.26 173.39 2hgi s LYS 9 N 1.95 2.78 -0.48 -4.83 -0.14 0.03 -5.01 119.74 114.03 2hgi s LYS 9 Ca 0.10 -1.17 -0.18 0.00 -1.36 0.00 0.00 55.97 53.36 2hgi s LYS 9 Cb -0.17 -3.76 0.06 0.00 -1.68 0.00 0.00 37.83 32.28 2hgi s LYS 9 CO 0.12 -0.77 0.54 1.41 -0.76 0.00 0.00 175.35 175.89 2hgi s MET 10 N 1.53 3.09 0.00 1.68 -2.45 -1.26 -0.94 119.30 120.95 2hgi s MET 10 Ca 0.02 -0.97 0.00 0.00 -1.25 0.00 0.00 55.69 53.49 2hgi s MET 10 Cb -0.20 -4.08 0.00 0.00 1.25 0.00 0.00 34.83 31.80 2hgi s MET 10 CO 0.06 -1.12 0.00 -0.89 1.05 0.00 0.00 175.02 174.12 2hgi n ILE 11 N 5.50 0.00 -0.05 10.11 2.08 -0.45 -5.01 119.36 131.54 2hgi n ILE 11 Ca -0.08 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.21 2hgi n ILE 11 Cb 0.45 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.34 2hgi n ILE 11 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2hgi n LEU 12 N 0.00 -0.00 -3.28 1.39 -0.00 -1.23 -4.50 117.00 109.38 2hgi n LEU 12 Ca 0.00 0.04 -0.22 0.00 -0.00 0.00 0.00 56.01 55.83 2hgi n LEU 12 Cb 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 43.42 43.31 2hgi n LEU 12 CO 0.00 -0.07 -0.23 -0.63 -0.00 0.00 0.00 177.39 176.46 2hgi s ILE 13 N -0.00 0.04 -0.19 1.96 1.09 -1.25 -0.98 121.20 121.86 2hgi s ILE 13 Ca 0.03 -2.19 -0.07 0.00 -1.10 0.00 0.00 60.65 57.33 2hgi s ILE 13 Cb -0.04 -0.98 -0.04 0.00 -1.06 0.00 0.00 42.46 40.34 2hgi s ILE 13 CO 0.02 -0.96 0.04 0.00 -0.10 0.00 0.00 174.94 173.95 2hgi s ARG 14 N 0.36 3.86 -0.01 2.79 1.70 -0.35 -4.96 118.95 122.34 2hgi s ARG 14 Ca 0.30 -0.40 -0.26 0.00 -0.47 0.00 0.00 55.73 54.90 2hgi s ARG 14 Cb 0.00 -3.18 -0.04 0.00 -0.57 0.00 0.00 34.95 31.17 2hgi s ARG 14 CO -0.15 0.18 0.81 0.50 -1.08 0.00 0.00 175.30 175.57 2hgi s ARG 15 N 0.60 4.50 -0.05 3.89 3.00 -1.26 -1.10 118.95 128.53 2hgi s ARG 15 Ca 0.02 1.12 0.06 0.00 -1.00 0.00 0.00 55.73 55.93 2hgi s ARG 15 Cb -0.13 -3.42 -0.01 0.00 0.00 0.00 0.00 34.95 31.38 2hgi s ARG 15 CO 0.02 0.10 -0.25 0.95 0.00 0.00 0.00 175.30 176.12 2hgi s THR 16 N 0.58 2.09 0.27 4.11 -4.23 0.05 -4.97 115.64 113.55 2hgi s THR 16 Ca 0.42 -1.06 -0.06 0.00 -1.18 0.00 0.00 61.69 59.82 2hgi s THR 16 Cb -0.20 -1.75 -0.06 0.00 1.34 0.00 0.00 72.50 71.83 2hgi s THR 16 CO 0.23 0.57 0.55 0.00 -0.54 0.00 0.00 174.62 175.43 2hgi s ALA 17 N -0.23 3.61 -0.28 3.99 0.00 -1.26 -1.30 121.76 126.29 2hgi s ALA 17 Ca -0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 2hgi s ALA 17 Cb -0.13 -2.33 0.09 0.00 0.00 0.00 0.00 23.12 20.75 2hgi s ALA 17 CO 0.03 0.32 0.11 0.50 0.00 0.00 0.00 175.76 176.71 2hgi s ARG 18 N -3.36 0.44 -0.08 0.00 3.52 -0.03 -4.85 118.95 114.60 2hgi s ARG 18 Ca 0.45 -0.72 -0.23 0.00 -0.13 0.00 0.00 55.73 55.10 2hgi s ARG 18 Cb -0.11 -1.63 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 2hgi s ARG 18 CO 0.28 -0.95 0.70 1.41 -0.81 0.00 0.00 175.30 175.93 2hgi s MET 19 N 1.88 4.41 -0.19 5.12 1.75 -1.26 -1.25 119.30 129.77 2hgi s MET 19 Ca 0.08 0.87 -0.12 0.00 -1.25 0.00 0.00 55.69 55.27 2hgi s MET 19 Cb -0.17 -3.46 0.06 0.00 2.84 0.00 0.00 34.83 34.10 2hgi s MET 19 CO -0.28 0.02 0.46 -1.14 -0.65 0.00 0.00 175.02 173.43 2hgi s GLN 20 N 0.96 0.47 0.01 4.11 -0.44 -0.46 -4.98 119.66 119.33 2hgi s GLN 20 Ca 0.37 0.82 -0.01 0.00 -2.50 0.00 0.00 55.36 54.03 2hgi s GLN 20 Cb -0.17 0.07 -0.01 0.00 -1.64 0.00 0.00 33.01 31.26 2hgi s GLN 20 CO 0.17 -0.13 0.02 0.00 0.50 0.00 0.00 175.29 175.84 2hgi n ALA 21 N 3.92 -1.10 0.00 1.58 0.00 -1.26 -0.74 120.51 122.92 2hgi n ALA 21 Ca -0.20 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2hgi n ALA 21 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2hgi n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgi n GLY 22 N 0.07 1.52 0.00 0.00 0.00 -1.26 -4.87 105.19 100.65 2hgi n GLY 22 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2hgi n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgi n GLY 23 N 0.00 1.48 3.18 -0.02 0.00 0.08 -5.15 105.19 104.76 2hgi n GLY 23 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 2hgi n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgi s ARG 24 N -0.50 1.93 0.23 1.61 0.52 -1.26 -1.36 118.95 120.12 2hgi s ARG 24 Ca 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2hgi s ARG 24 Cb 0.00 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 2hgi s ARG 24 CO 0.00 0.32 0.16 -0.98 0.02 0.00 0.00 175.30 174.81 2hgi s ARG 25 N -0.12 1.33 0.00 3.54 3.03 -0.38 -4.98 118.95 121.36 2hgi s ARG 25 Ca -0.01 -1.72 0.00 0.00 2.03 0.00 0.00 55.73 56.03 2hgi s ARG 25 Cb -0.11 0.23 0.00 0.00 -1.03 0.00 0.00 34.95 34.04 2hgi s ARG 25 CO 0.02 -0.43 0.00 1.97 -1.13 0.00 0.00 175.30 175.73 2hgi n PHE 26 N -0.36 0.00 -3.08 5.89 1.16 -1.26 -0.85 117.46 118.97 2hgi n PHE 26 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 2hgi n PHE 26 Cb 0.65 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.52 2hgi n PHE 26 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2hgi n ARG 27 N 0.00 -0.52 -3.84 3.97 1.85 -0.42 -4.75 116.66 112.96 2hgi n ARG 27 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 2hgi n ARG 27 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hgi n ARG 27 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2hgi s PHE 28 N -3.00 -0.07 -0.03 2.89 -0.12 -0.21 -0.77 117.98 116.67 2hgi s PHE 28 Ca 0.00 -0.47 0.05 0.00 -0.05 0.00 0.00 56.93 56.46 2hgi s PHE 28 Cb 0.00 0.76 -0.01 0.00 -0.63 0.00 0.00 43.02 43.14 2hgi s PHE 28 CO 0.00 -1.35 -0.18 0.20 -0.05 0.00 0.00 175.22 173.85 2hgi s GLY 29 N -2.99 0.92 -0.09 1.99 0.00 -0.26 -1.25 107.32 105.65 2hgi s GLY 29 Ca 0.13 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.13 2hgi s GLY 29 CO 0.08 -0.47 -0.11 0.00 0.00 0.00 0.00 173.10 172.60 2hgi s ALA 30 N -0.14 2.75 -0.28 3.20 0.00 -0.13 -1.21 121.76 125.95 2hgi s ALA 30 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2hgi s ALA 30 Cb -0.10 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.89 2hgi s ALA 30 CO 0.01 0.43 -0.00 -1.17 0.00 0.00 0.00 175.76 175.02 2hgi s LEU 31 N -0.28 3.63 -0.02 0.00 0.20 -0.16 -0.69 118.68 121.37 2hgi s LEU 31 Ca 0.03 -0.99 0.03 0.00 0.69 0.00 0.00 54.13 53.88 2hgi s LEU 31 Cb -0.13 -1.74 -0.00 0.00 -0.43 0.00 0.00 46.19 43.89 2hgi s LEU 31 CO 0.03 -0.20 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.09 2hgi s VAL 32 N 1.34 0.86 0.06 1.68 1.01 -0.08 -1.34 120.40 123.93 2hgi s VAL 32 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2hgi s VAL 32 Cb -0.18 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2hgi s VAL 32 CO -0.01 0.25 0.11 -0.69 0.00 0.00 0.00 175.10 174.76 2hgi s VAL 33 N -0.06 4.80 -0.08 2.92 1.01 -0.11 -1.07 120.40 127.80 2hgi s VAL 33 Ca 0.01 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2hgi s VAL 33 Cb -0.06 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2hgi s VAL 33 CO 0.00 0.16 0.34 -0.69 0.00 0.00 0.00 175.10 174.91 2hgi s VAL 34 N -1.39 0.02 -0.02 2.92 1.01 -0.14 -0.79 120.40 122.02 2hgi s VAL 34 Ca 0.30 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2hgi s VAL 34 Cb -0.12 -0.55 0.11 0.00 0.00 0.00 0.00 36.38 35.82 2hgi s VAL 34 CO 0.22 -0.10 1.29 -0.83 0.00 0.00 0.00 175.10 175.68 2hgi s GLY 35 N -0.44 -0.28 -0.33 4.51 0.00 -0.50 -0.76 107.32 109.53 2hgi s GLY 35 Ca -0.06 0.39 0.10 0.00 0.00 0.00 0.00 44.72 45.15 2hgi s GLY 35 CO 0.02 2.65 1.75 2.09 0.00 0.00 0.00 173.10 179.61 2hgi n ASP 36 N -0.77 4.29 -1.61 1.64 5.68 -0.29 -0.31 116.55 125.18 2hgi n ASP 36 Ca -0.03 -3.34 -0.09 0.00 -0.50 0.00 0.00 54.79 50.83 2hgi n ASP 36 Cb 0.61 -0.73 -0.03 0.00 -1.14 0.00 0.00 41.12 39.83 2hgi n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2hgi n ARG 37 N -0.47 -1.55 -3.04 0.11 1.74 -1.06 -4.80 116.66 107.59 2hgi n ARG 37 Ca 0.41 0.52 -0.18 0.00 -0.77 0.00 0.00 57.85 57.83 2hgi n ARG 37 Cb 1.35 -4.81 -0.03 0.00 -1.02 0.00 0.00 32.46 27.95 2hgi n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2hgi n GLN 38 N -1.94 0.68 0.00 5.56 6.02 -1.17 -4.30 117.38 122.24 2hgi n GLN 38 Ca -0.10 -2.66 0.00 0.00 -0.01 0.00 0.00 57.00 54.23 2hgi n GLN 38 Cb 0.39 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.30 2hgi n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hgi n GLY 39 N 1.68 1.35 3.69 1.08 0.00 0.31 -4.98 105.19 108.33 2hgi n GLY 39 Ca 0.18 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2hgi n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hgi s ARG 40 N 0.00 4.22 0.15 1.61 3.52 -1.25 -0.53 118.95 126.67 2hgi s ARG 40 Ca 0.00 0.21 -0.24 0.00 -0.13 0.00 0.00 55.73 55.57 2hgi s ARG 40 Cb 0.00 -3.50 0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2hgi s ARG 40 CO 0.00 0.05 0.70 0.14 -0.81 0.00 0.00 175.30 175.38 2hgi s VAL 41 N 1.02 0.00 0.22 7.11 -7.23 -0.24 -1.14 120.40 120.14 2hgi s VAL 41 Ca 0.19 -0.23 -0.10 0.00 -1.81 0.00 0.00 61.98 60.03 2hgi s VAL 41 Cb -0.14 -1.26 0.04 0.00 0.56 0.00 0.00 36.38 35.58 2hgi s VAL 41 CO 0.07 0.00 0.50 0.61 -0.31 0.00 0.00 175.10 175.98 2hgi n GLY 42 N -0.38 1.30 3.52 2.32 0.00 0.06 -0.60 105.19 111.41 2hgi n GLY 42 Ca -0.12 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 2hgi n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hgi s LEU 43 N 0.00 -0.55 0.01 0.99 0.20 -1.14 -0.96 118.68 117.23 2hgi s LEU 43 Ca 0.10 0.49 -0.07 0.00 0.69 0.00 0.00 54.13 55.34 2hgi s LEU 43 Cb -0.03 2.32 -0.00 0.00 -0.43 0.00 0.00 46.19 48.05 2hgi s LEU 43 CO 0.07 -0.58 0.12 -0.83 -0.29 0.00 0.00 176.35 174.83 2hgi s GLY 44 N -1.47 0.07 -0.29 7.98 0.00 -0.24 -4.16 107.32 109.22 2hgi s GLY 44 Ca -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 2hgi s GLY 44 CO 0.03 -0.34 -0.03 -0.11 0.00 0.00 0.00 173.10 172.65 2hgi s PHE 45 N -1.50 3.23 0.00 1.90 -0.00 -1.24 -0.90 117.98 119.47 2hgi s PHE 45 Ca -0.14 -1.90 -0.11 0.00 -0.00 0.00 0.00 56.93 54.79 2hgi s PHE 45 Cb -0.07 -2.07 -0.05 0.00 -0.00 0.00 0.00 43.02 40.83 2hgi s PHE 45 CO 0.01 -0.81 0.34 0.20 -0.00 0.00 0.00 175.22 174.96 2hgi s GLY 46 N 1.24 2.35 -0.26 1.99 0.00 0.13 -4.78 107.32 107.99 2hgi s GLY 46 Ca -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 44.72 44.24 2hgi s GLY 46 CO -0.02 -0.13 -0.03 0.54 0.00 0.00 0.00 173.10 173.46 2hgi s LYS 47 N -1.43 2.86 0.08 2.90 3.01 -1.25 -0.95 119.74 124.95 2hgi s LYS 47 Ca 0.26 -0.97 -0.05 0.00 -1.01 0.00 0.00 55.97 54.19 2hgi s LYS 47 Cb -0.14 -3.07 -0.02 0.00 -1.01 0.00 0.00 37.83 33.58 2hgi s LYS 47 CO 0.14 -0.42 0.10 0.00 0.51 0.00 0.00 175.35 175.67 2hgi s ALA 48 N 1.35 0.15 -0.34 5.17 0.00 -0.38 -4.77 121.76 122.95 2hgi s ALA 48 Ca 0.00 -0.92 0.27 0.00 0.00 0.00 0.00 51.96 51.31 2hgi s ALA 48 Cb -0.17 0.44 0.92 0.00 0.00 0.00 0.00 23.12 24.31 2hgi s ALA 48 CO -0.03 -0.46 1.79 -1.00 0.00 0.00 0.00 175.76 176.06 2hgi h PRO 49 N 2.91 0.00 -5.09 0.00 0.13 -1.86 -0.54 132.00 127.55 2hgi h PRO 49 Ca -0.34 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.39 2hgi h PRO 49 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2hgi h PRO 49 CO 0.60 0.00 -0.63 -1.21 -0.23 0.00 0.00 178.00 176.53 2hgi s GLU 50 N -3.36 1.46 0.00 0.86 0.41 -1.26 -4.69 118.70 112.11 2hgi s GLU 50 Ca 0.05 -1.77 0.00 0.00 -0.41 0.00 0.00 54.97 52.84 2hgi s GLU 50 Cb 0.09 -0.62 0.00 0.00 -1.78 0.00 0.00 34.13 31.82 2hgi s GLU 50 CO 0.55 -0.17 0.70 0.28 -0.49 0.00 0.00 175.26 176.13 2hgi n VAL 51 N -0.52 0.00 -0.09 2.63 0.31 -1.26 -1.38 118.33 118.02 2hgi n VAL 51 Ca -0.03 1.20 -0.13 0.00 -0.01 0.00 0.00 64.34 65.37 2hgi n VAL 51 Cb 0.65 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.68 2hgi n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2hgi h PRO 52 N 0.00 -0.43 0.00 5.55 0.11 -1.98 -1.14 132.00 134.12 2hgi h PRO 52 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2hgi h PRO 52 Cb 0.00 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2hgi h PRO 52 CO 0.00 -0.28 0.00 1.28 -0.21 0.00 0.00 178.00 178.79 2hgi n LEU 53 N -5.41 0.00 -0.35 2.35 7.99 -1.12 0.32 117.00 120.78 2hgi n LEU 53 Ca -0.04 0.59 0.06 0.00 -0.01 0.00 0.00 56.01 56.61 2hgi n LEU 53 Cb 0.36 -0.26 0.24 0.00 -0.11 0.00 0.00 43.42 43.65 2hgi n LEU 53 CO 0.04 -0.26 1.24 0.00 -1.51 0.00 0.00 177.39 176.90 2hgi h ALA 54 N -0.77 1.53 -3.00 -1.18 0.00 -1.12 -1.51 119.26 113.21 2hgi h ALA 54 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2hgi h ALA 54 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2hgi h ALA 54 CO 0.00 0.25 0.00 0.28 0.00 0.00 0.00 179.25 179.78 2hgi n VAL 55 N -4.58 0.00 0.31 0.00 0.31 0.96 -0.96 118.33 114.37 2hgi n VAL 55 Ca 0.18 0.47 0.21 0.00 -0.01 0.00 0.00 64.34 65.18 2hgi n VAL 55 Cb 0.32 -1.09 1.11 0.00 -0.91 0.00 0.00 33.84 33.27 2hgi n VAL 55 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2hgi h GLN 56 N 0.00 0.00 0.06 5.55 7.50 -1.27 -0.53 115.11 126.42 2hgi h GLN 56 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2hgi h GLN 56 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2hgi h GLN 56 CO 0.00 0.00 -0.13 -0.22 -1.50 0.00 0.00 178.83 176.98 2hgi h LYS 57 N 0.00 -0.20 -1.04 1.46 3.64 -0.92 0.19 116.57 119.70 2hgi h LYS 57 Ca 0.00 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.66 2hgi h LYS 57 Cb 0.01 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.77 2hgi h LYS 57 CO 0.00 -0.13 0.66 0.00 -2.27 0.00 0.00 179.45 177.71 2hgi h ALA 58 N -1.38 2.16 0.00 5.00 0.00 0.41 0.17 119.26 125.62 2hgi h ALA 58 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2hgi h ALA 58 Cb 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2hgi h ALA 58 CO -0.05 -0.58 -0.21 0.78 0.00 0.00 0.00 179.25 179.19 2hgi h GLY 59 N 0.42 -1.29 -0.89 0.00 0.00 0.56 0.19 103.07 102.07 2hgi h GLY 59 Ca 0.61 0.62 0.15 0.00 0.00 0.00 0.00 47.33 48.71 2hgi h GLY 59 CO -0.33 -0.42 -0.30 2.98 0.00 0.00 0.00 176.54 178.47 2hgi n TYR 60 N -3.64 0.13 0.05 5.60 4.19 0.51 0.21 117.16 124.22 2hgi n TYR 60 Ca -0.03 1.09 -0.11 0.00 3.31 0.00 0.00 57.90 62.17 2hgi n TYR 60 Cb 0.15 -0.90 -0.04 0.00 0.49 0.00 0.00 39.34 39.04 2hgi n TYR 60 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2hgi h TYR 61 N 0.00 -0.52 -0.97 2.98 0.05 -0.62 0.86 116.97 118.75 2hgi h TYR 61 Ca 0.35 0.02 0.31 0.00 0.05 0.00 0.00 58.73 59.46 2hgi h TYR 61 Cb 0.58 0.23 -0.18 0.00 1.01 0.00 0.00 36.73 38.37 2hgi h TYR 61 CO -0.75 -0.28 0.18 0.00 -1.05 0.00 0.00 178.16 176.27 2hgi n ALA 62 N -2.57 0.66 0.06 3.88 0.00 0.57 0.33 120.51 123.44 2hgi n ALA 62 Ca -0.05 1.02 -0.13 0.00 0.00 0.00 0.00 53.44 54.29 2hgi n ALA 62 Cb 0.24 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.78 2hgi n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi h ARG 63 N 0.00 -0.10 0.00 0.00 -0.00 0.56 -3.31 114.38 111.52 2hgi h ARG 63 Ca 0.67 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 60.15 2hgi h ARG 63 Cb 1.53 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.52 2hgi h ARG 63 CO -0.86 0.08 0.00 0.54 0.00 0.00 0.00 179.97 179.73 2hgi n ARG 64 N -5.06 0.00 -1.71 0.04 5.12 0.98 -3.27 116.66 112.75 2hgi n ARG 64 Ca -0.08 0.41 -0.37 0.00 -1.93 0.00 0.00 57.85 55.88 2hgi n ARG 64 Cb 0.13 -1.02 -0.05 0.00 -1.16 0.00 0.00 32.46 30.36 2hgi n ARG 64 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2hgi n ASN 65 N -0.98 3.12 -4.84 0.55 5.15 -0.17 -4.93 115.26 113.15 2hgi n ASN 65 Ca 0.00 -2.73 -0.34 0.00 -0.60 0.00 0.00 54.58 50.91 2hgi n ASN 65 Cb 0.00 -1.47 -0.06 0.00 -0.53 0.00 0.00 39.78 37.72 2hgi n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2hgi s MET 66 N 5.34 3.28 -0.07 1.20 -1.94 -1.20 -2.89 119.30 123.01 2hgi s MET 66 Ca 0.60 -0.35 -0.06 0.00 -1.71 0.00 0.00 55.69 54.18 2hgi s MET 66 Cb 0.07 -3.01 0.02 0.00 2.01 0.00 0.00 34.83 33.93 2hgi s MET 66 CO 0.10 0.69 0.19 0.14 -0.01 0.00 0.00 175.02 176.13 2hgi s VAL 67 N -1.20 -0.01 -0.36 -6.03 -7.23 0.23 -4.95 120.40 100.85 2hgi s VAL 67 Ca 0.22 0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.32 2hgi s VAL 67 Cb -0.12 -0.27 0.02 0.00 0.56 0.00 0.00 36.38 36.56 2hgi s VAL 67 CO 0.13 0.01 0.19 -0.70 -0.31 0.00 0.00 175.10 174.42 2hgi s GLU 68 N 0.30 2.95 -0.54 4.82 2.56 -1.26 -1.08 118.70 126.45 2hgi s GLU 68 Ca -0.02 -0.99 -0.26 0.00 0.00 0.00 0.00 54.97 53.70 2hgi s GLU 68 Cb -0.03 -3.68 -0.08 0.00 2.00 0.00 0.00 34.13 32.34 2hgi s GLU 68 CO -0.01 -0.63 2.43 0.28 -0.56 0.00 0.00 175.26 176.77 2hgi n VAL 69 N 4.99 -0.08 -1.59 3.70 0.31 0.31 -4.90 118.33 121.07 2hgi n VAL 69 Ca -0.12 -0.75 -0.14 0.00 -0.01 0.00 0.00 64.34 63.31 2hgi n VAL 69 Cb 0.47 -2.65 -0.10 0.00 -0.91 0.00 0.00 33.84 30.64 2hgi n VAL 69 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2hgi s PRO 70 N 8.38 1.25 0.39 5.55 0.02 -1.26 -4.83 135.00 144.50 2hgi s PRO 70 Ca 0.99 -0.17 -0.04 0.00 0.02 0.00 0.00 61.00 61.80 2hgi s PRO 70 Cb -0.21 -4.92 -0.04 0.00 0.02 0.00 0.00 34.50 29.35 2hgi s PRO 70 CO 0.25 -5.28 0.67 -1.17 -0.33 0.00 0.00 177.00 171.13 2hgi s LEU 71 N 16.64 3.86 -0.41 -5.54 0.20 -1.26 -4.44 118.68 127.72 2hgi s LEU 71 Ca 0.85 0.77 0.02 0.00 0.69 0.00 0.00 54.13 56.45 2hgi s LEU 71 Cb -0.07 -3.66 0.14 0.00 -0.43 0.00 0.00 46.19 42.17 2hgi s LEU 71 CO 0.16 -0.39 0.23 -1.10 -0.29 0.00 0.00 176.35 174.96 2hgi s GLN 72 N -4.25 1.08 0.00 1.98 -0.21 -1.26 -4.89 119.66 112.11 2hgi s GLN 72 Ca 0.45 -1.82 0.00 0.00 0.02 0.00 0.00 55.36 54.01 2hgi s GLN 72 Cb -0.10 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2hgi s GLN 72 CO 0.37 -1.18 0.00 -1.71 -2.12 0.00 0.00 175.29 170.66 2hgi n ASN 73 N 3.67 0.00 0.00 5.90 4.05 -1.26 -3.51 115.26 124.11 2hgi n ASN 73 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 2hgi n ASN 73 Cb 0.35 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.36 2hgi n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2hgi n GLY 74 N 0.00 0.00 0.00 8.20 0.00 -1.26 -5.01 105.19 107.12 2hgi n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgi n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2hgi n THR 75 N 0.00 0.00 -1.47 2.61 5.66 -1.23 -4.04 114.28 115.81 2hgi n THR 75 Ca 0.00 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.50 2hgi n THR 75 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 2hgi n THR 75 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2hgi n ILE 76 N 0.00 1.48 0.00 1.09 5.41 -1.26 -3.99 119.36 122.09 2hgi n ILE 76 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2hgi n ILE 76 Cb 0.00 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 2hgi n ILE 76 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2hgi n PRO 77 N 1.16 0.00 -0.83 0.38 -0.04 -1.26 -4.49 135.00 129.92 2hgi n PRO 77 Ca 0.17 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.36 2hgi n PRO 77 Cb 0.23 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.70 2hgi n PRO 77 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2hgi n HIS 78 N 0.00 -2.33 -1.19 0.54 1.44 -1.26 -4.34 115.22 108.08 2hgi n HIS 78 Ca 0.00 0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.96 2hgi n HIS 78 Cb 0.00 -1.13 0.00 0.00 0.12 0.00 0.00 29.99 28.98 2hgi n HIS 78 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2hgi n GLU 79 N 1.18 2.56 -3.61 -1.40 4.71 -1.26 -4.76 120.64 118.06 2hgi n GLU 79 Ca 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.18 2hgi n GLU 79 Cb 0.34 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.75 2hgi n GLU 79 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2hgi s ILE 80 N 1.44 0.00 -0.45 -3.67 -5.25 0.11 -4.96 121.20 108.42 2hgi s ILE 80 Ca 0.00 -0.07 0.05 0.00 -0.99 0.00 0.00 60.65 59.64 2hgi s ILE 80 Cb 0.00 -1.44 0.18 0.00 2.95 0.00 0.00 42.46 44.15 2hgi s ILE 80 CO 0.00 0.00 0.51 -1.61 -1.79 0.00 0.00 174.94 172.05 2hgi s GLU 81 N -2.28 0.95 0.22 0.37 8.01 -1.20 -0.32 118.70 124.45 2hgi s GLU 81 Ca 0.12 -1.56 -0.31 0.00 0.01 0.00 0.00 54.97 53.23 2hgi s GLU 81 Cb 0.02 -0.78 -0.11 0.00 -4.31 0.00 0.00 34.13 28.95 2hgi s GLU 81 CO -0.04 -1.35 1.59 0.54 0.01 0.00 0.00 175.26 176.01 2hgi s VAL 82 N 0.53 2.33 -0.66 2.63 0.11 -0.10 -4.58 120.40 120.67 2hgi s VAL 82 Ca 0.30 0.26 -0.21 0.00 -2.93 0.00 0.00 61.98 59.40 2hgi s VAL 82 Cb 0.01 -3.16 0.09 0.00 -1.53 0.00 0.00 36.38 31.78 2hgi s VAL 82 CO -0.12 0.03 0.89 -0.70 -3.33 0.00 0.00 175.10 171.86 2hgi s GLU 83 N 0.45 3.12 -0.86 1.54 -6.30 -1.26 -1.25 118.70 114.13 2hgi s GLU 83 Ca 0.68 -1.08 0.01 0.00 -2.50 0.00 0.00 54.97 52.08 2hgi s GLU 83 Cb -0.46 -4.29 0.33 0.00 0.00 0.00 0.00 34.13 29.71 2hgi s GLU 83 CO 0.38 -1.72 1.50 0.34 0.02 0.00 0.00 175.26 175.78 2hgi n PHE 84 N 7.14 3.25 0.00 5.30 7.35 -0.24 -5.01 117.46 135.24 2hgi n PHE 84 Ca -0.04 -3.09 0.00 0.00 -0.76 0.00 0.00 57.45 53.56 2hgi n PHE 84 Cb 0.45 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.34 2hgi n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hgi n GLY 85 N -0.12 0.49 0.26 7.13 0.00 -1.26 -0.69 105.19 111.00 2hgi n GLY 85 Ca 0.41 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.84 2hgi n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgi h ALA 86 N -0.14 1.26 -3.48 4.61 0.00 -1.96 -3.43 119.26 116.11 2hgi h ALA 86 Ca 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 54.91 54.41 2hgi h ALA 86 Cb 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.43 2hgi h ALA 86 CO 0.00 0.17 -0.76 -1.12 0.00 0.00 0.00 179.25 177.54 2hgi s SER 87 N -6.18 0.68 -0.23 0.00 0.01 0.13 -0.66 113.70 107.45 2hgi s SER 87 Ca -0.02 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.08 2hgi s SER 87 Cb 0.13 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 2hgi s SER 87 CO 0.59 -0.07 0.08 -0.75 0.41 0.00 0.00 173.24 173.50 2hgi s LYS 88 N 0.95 3.77 -0.11 12.44 2.20 -0.29 -1.08 119.74 137.61 2hgi s LYS 88 Ca -0.11 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 2hgi s LYS 88 Cb -0.14 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2hgi s LYS 88 CO -0.01 -0.06 -0.22 -1.50 -0.36 0.00 0.00 175.35 173.21 2hgi s ILE 89 N 1.29 2.23 -0.11 5.43 -1.16 -0.38 -1.07 121.20 127.42 2hgi s ILE 89 Ca 0.05 -0.95 0.02 0.00 -0.51 0.00 0.00 60.65 59.26 2hgi s ILE 89 Cb -0.15 -1.87 -0.01 0.00 0.61 0.00 0.00 42.46 41.04 2hgi s ILE 89 CO 0.04 0.55 -0.17 0.54 -2.81 0.00 0.00 174.94 173.09 2hgi s VAL 90 N 0.45 2.67 -0.01 4.00 0.11 -0.25 -0.92 120.40 126.45 2hgi s VAL 90 Ca -0.15 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.11 2hgi s VAL 90 Cb -0.17 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 2hgi s VAL 90 CO 0.06 0.54 -0.05 -0.22 -3.33 0.00 0.00 175.10 172.10 2hgi s LEU 91 N 0.27 1.89 0.08 2.54 0.20 0.56 -0.96 118.68 123.25 2hgi s LEU 91 Ca -0.12 -0.10 0.07 0.00 0.69 0.00 0.00 54.13 54.66 2hgi s LEU 91 Cb -0.16 -0.31 -0.03 0.00 -0.43 0.00 0.00 46.19 45.25 2hgi s LEU 91 CO 0.06 0.05 -0.19 -0.75 -0.29 0.00 0.00 176.35 175.24 2hgi s LYS 92 N 0.04 1.08 -0.33 1.98 2.20 0.07 0.09 119.74 124.86 2hgi s LYS 92 Ca -0.00 -1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 54.29 2hgi s LYS 92 Cb -0.04 -1.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.05 2hgi s LYS 92 CO -0.00 0.29 1.40 -1.25 -0.36 0.00 0.00 175.35 175.43 2hgi s PRO 93 N -1.66 3.76 0.40 4.03 0.04 -1.26 -1.41 135.00 138.89 2hgi s PRO 93 Ca 0.04 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.35 2hgi s PRO 93 Cb -0.10 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 2hgi s PRO 93 CO 0.03 -1.33 0.32 0.00 0.04 0.00 0.00 177.00 176.06 2hgi s ALA 94 N 4.94 3.93 0.08 8.56 0.00 -0.79 -4.95 121.76 133.53 2hgi s ALA 94 Ca 0.61 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2hgi s ALA 94 Cb -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.04 2hgi s ALA 94 CO 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 175.76 175.86 2hgi n ALA 95 N -1.45 3.00 -0.69 0.00 0.00 -1.24 -4.65 120.51 115.48 2hgi n ALA 95 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 2hgi n ALA 95 Cb 0.62 0.09 0.10 0.00 0.00 0.00 0.00 19.45 20.26 2hgi n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2hgi n PRO 96 N -2.98 -1.79 -1.72 0.00 -0.02 -1.26 -4.38 135.00 122.84 2hgi n PRO 96 Ca 0.00 -0.51 -0.18 0.00 -2.02 0.00 0.00 63.50 60.79 2hgi n PRO 96 Cb 0.00 -0.82 -0.07 0.00 -0.02 0.00 0.00 33.50 32.59 2hgi n PRO 96 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2hgi s GLY 97 N -1.92 -0.58 -0.16 -1.23 0.00 -1.26 -4.39 107.32 97.78 2hgi s GLY 97 Ca 0.23 -1.18 0.16 0.00 0.00 0.00 0.00 44.72 43.94 2hgi s GLY 97 CO 0.20 4.02 1.56 2.41 0.00 0.00 0.00 173.10 181.28 2hgi n THR 98 N 8.56 2.19 -0.31 0.90 -1.04 -1.23 -4.99 114.28 118.35 2hgi n THR 98 Ca 0.44 -1.48 0.03 0.00 -2.04 0.00 0.00 64.05 61.00 2hgi n THR 98 Cb 0.45 -0.09 -0.01 0.00 -1.82 0.00 0.00 70.33 68.86 2hgi n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hgi n GLY 99 N 0.34 -0.35 3.52 3.41 0.00 -0.14 -3.86 105.19 108.10 2hgi n GLY 99 Ca 0.23 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2hgi n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgi s VAL 100 N -1.43 4.16 -0.47 1.61 1.01 -1.26 -0.88 120.40 123.14 2hgi s VAL 100 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2hgi s VAL 100 Cb 0.00 -4.93 0.12 0.00 0.00 0.00 0.00 36.38 31.58 2hgi s VAL 100 CO 0.00 -1.76 0.29 -0.63 0.00 0.00 0.00 175.10 173.00 2hgi s ILE 101 N 4.34 3.61 0.00 2.22 -1.09 -0.40 -4.95 121.20 124.93 2hgi s ILE 101 Ca 0.39 -2.19 0.00 0.00 -2.23 0.00 0.00 60.65 56.62 2hgi s ILE 101 Cb -0.04 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 2hgi s ILE 101 CO -0.05 -0.75 0.00 0.00 -1.23 0.00 0.00 174.94 172.91 2hgi n ALA 102 N 4.43 0.00 -2.44 9.38 0.00 -1.26 -0.84 120.51 129.77 2hgi n ALA 102 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 2hgi n ALA 102 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 2hgi n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2hgi s GLY 103 N 0.00 1.58 0.20 0.00 0.00 -1.26 -4.94 107.32 102.89 2hgi s GLY 103 Ca 0.00 -1.59 0.12 0.00 0.00 0.00 0.00 44.72 43.25 2hgi s GLY 103 CO 0.00 -1.64 0.83 0.00 0.00 0.00 0.00 173.10 172.30 2hgi n ALA 104 N 0.19 0.58 -0.03 3.20 0.00 -1.26 0.97 120.51 124.15 2hgi n ALA 104 Ca -0.12 0.53 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 2hgi n ALA 104 Cb 0.57 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 2hgi n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgi h VAL 105 N 0.00 1.34 -1.08 0.00 2.07 -1.96 -0.12 116.25 116.51 2hgi h VAL 105 Ca 0.45 -1.76 0.29 0.00 0.82 0.00 0.00 66.70 66.50 2hgi h VAL 105 Cb 1.24 2.43 -0.10 0.00 -1.52 0.00 0.00 31.29 33.35 2hgi h VAL 105 CO -0.38 0.41 0.69 -0.65 0.02 0.00 0.00 177.57 177.67 2hgi h PRO 106 N -0.89 0.33 0.30 1.57 0.11 0.22 -1.37 132.00 132.27 2hgi h PRO 106 Ca -0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 2hgi h PRO 106 Cb 0.71 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2hgi h PRO 106 CO 0.01 0.22 -0.14 -0.09 -0.21 0.00 0.00 178.00 177.78 2hgi h ARG 107 N 0.34 -0.38 -0.55 1.05 2.43 -0.63 -0.21 114.38 116.42 2hgi h ARG 107 Ca 0.62 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.93 2hgi h ARG 107 Cb 1.66 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 31.19 2hgi h ARG 107 CO -0.30 -0.05 -0.21 0.00 -1.51 0.00 0.00 179.97 177.91 2hgi h ALA 108 N -0.47 0.23 -0.88 2.80 0.00 -0.71 0.78 119.26 121.01 2hgi h ALA 108 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2hgi h ALA 108 Cb 0.52 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2hgi h ALA 108 CO 0.07 -0.52 0.00 -0.89 0.00 0.00 0.00 179.25 177.91 2hgi n ILE 109 N -5.42 0.00 -0.02 0.00 2.08 -0.54 -1.29 119.36 114.17 2hgi n ILE 109 Ca 0.05 1.35 -0.17 0.00 0.56 0.00 0.00 62.75 64.55 2hgi n ILE 109 Cb 0.32 -1.96 -0.09 0.00 -0.75 0.00 0.00 39.64 37.16 2hgi n ILE 109 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2hgi h LEU 110 N 0.00 0.72 -0.17 1.39 3.38 -0.61 0.82 115.31 120.84 2hgi h LEU 110 Ca 0.00 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 2hgi h LEU 110 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2hgi h LEU 110 CO 0.00 1.27 0.09 1.05 0.09 0.00 0.00 178.44 180.94 2hgi h GLU 111 N 0.22 0.24 0.00 1.13 4.11 -0.93 0.18 114.58 119.53 2hgi h GLU 111 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2hgi h GLU 111 Cb 1.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2hgi h GLU 111 CO 0.13 0.25 0.00 -0.11 0.07 0.00 0.00 179.01 179.34 2hgi n LEU 112 N -4.91 0.00 -0.18 3.06 -0.00 -0.41 -2.27 117.00 112.29 2hgi n LEU 112 Ca -0.04 0.96 0.09 0.00 -0.00 0.00 0.00 56.01 57.02 2hgi n LEU 112 Cb 0.08 -0.46 0.17 0.00 -0.00 0.00 0.00 43.42 43.21 2hgi n LEU 112 CO 0.34 -0.46 0.43 0.00 -0.00 0.00 0.00 177.39 177.71 2hgi n ALA 113 N -1.88 0.30 0.00 1.96 0.00 0.28 -2.56 120.51 118.61 2hgi n ALA 113 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2hgi n ALA 113 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2hgi n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgi n GLY 114 N -1.24 2.12 0.00 0.00 0.00 0.60 0.12 105.19 106.79 2hgi n GLY 114 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2hgi n GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgi n VAL 115 N 0.00 0.00 0.00 1.61 0.24 -1.13 -4.57 118.33 114.47 2hgi n VAL 115 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hgi n VAL 115 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2hgi n VAL 115 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2hgi n THR 116 N 0.43 0.00 -2.65 3.34 5.66 -1.26 -4.50 114.28 115.30 2hgi n THR 116 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2hgi n THR 116 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2hgi n THR 116 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2hgi n ASP 117 N 0.00 -1.27 -4.06 1.09 5.75 -0.63 -0.97 116.55 116.46 2hgi n ASP 117 Ca 0.00 -1.87 -0.09 0.00 -0.01 0.00 0.00 54.79 52.82 2hgi n ASP 117 Cb 0.00 0.86 -0.09 0.00 -1.03 0.00 0.00 41.12 40.86 2hgi n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2hgi s ILE 118 N 0.09 0.13 -0.04 2.12 1.01 -0.06 -1.88 121.20 122.57 2hgi s ILE 118 Ca 0.09 -1.68 0.03 0.00 0.00 0.00 0.00 60.65 59.09 2hgi s ILE 118 Cb 0.19 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.90 2hgi s ILE 118 CO -0.05 -0.60 -0.12 -1.48 0.00 0.00 0.00 174.94 172.69 2hgi s LEU 119 N -2.97 1.81 0.02 2.97 2.34 -0.50 -1.27 118.68 121.08 2hgi s LEU 119 Ca 0.16 -0.26 -0.00 0.00 0.06 0.00 0.00 54.13 54.08 2hgi s LEU 119 Cb 0.06 -0.74 -0.02 0.00 -0.56 0.00 0.00 46.19 44.94 2hgi s LEU 119 CO -0.03 0.09 -0.02 0.28 -1.06 0.00 0.00 176.35 175.61 2hgi s THR 120 N 0.19 0.10 -0.03 5.48 -1.32 -0.02 -0.75 115.64 119.29 2hgi s THR 120 Ca -0.05 -0.82 -0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2hgi s THR 120 Cb -0.10 -0.24 0.03 0.00 -1.51 0.00 0.00 72.50 70.67 2hgi s THR 120 CO 0.01 -0.45 0.04 -0.54 -2.21 0.00 0.00 174.62 171.48 2hgi s LYS 121 N -1.32 -0.02 -0.22 7.08 -0.14 -0.13 -4.32 119.74 120.67 2hgi s LYS 121 Ca -0.14 0.20 -0.12 0.00 -1.36 0.00 0.00 55.97 54.55 2hgi s LYS 121 Cb -0.09 -0.23 -0.05 0.00 -1.68 0.00 0.00 37.83 35.79 2hgi s LYS 121 CO -0.01 -0.16 0.21 -1.21 -0.76 0.00 0.00 175.35 173.43 2hgi s GLU 122 N 1.03 4.13 -0.19 1.68 8.01 -1.26 -1.09 118.70 131.01 2hgi s GLU 122 Ca -0.08 -0.14 0.01 0.00 0.01 0.00 0.00 54.97 54.77 2hgi s GLU 122 Cb -0.12 -3.51 0.02 0.00 -4.31 0.00 0.00 34.13 26.21 2hgi s GLU 122 CO -0.03 0.09 -0.18 -0.51 0.01 0.00 0.00 175.26 174.64 2hgi s LEU 123 N 0.95 2.22 0.00 1.80 2.01 -0.23 -4.88 118.68 120.55 2hgi s LEU 123 Ca 0.11 -0.71 0.00 0.00 0.01 0.00 0.00 54.13 53.53 2hgi s LEU 123 Cb -0.13 -1.45 0.00 0.00 0.01 0.00 0.00 46.19 44.62 2hgi s LEU 123 CO 0.04 -0.03 0.00 0.61 1.01 0.00 0.00 176.35 177.98 2hgi n GLY 124 N 4.62 0.04 3.38 -3.19 0.00 -1.26 -1.14 105.19 107.63 2hgi n GLY 124 Ca -0.20 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.52 2hgi n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hgi n SER 125 N 0.00 -0.04 -3.00 1.61 2.88 0.17 -4.64 113.62 110.59 2hgi n SER 125 Ca 0.00 -1.71 -0.21 0.00 -1.33 0.00 0.00 58.87 55.62 2hgi n SER 125 Cb 0.00 -1.20 -0.03 0.00 -0.75 0.00 0.00 64.21 62.23 2hgi n SER 125 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2hgi n ARG 126 N 6.73 2.08 -3.52 -1.46 0.63 -1.26 -4.42 116.66 115.44 2hgi n ARG 126 Ca 0.33 -1.37 -0.42 0.00 -0.92 0.00 0.00 57.85 55.47 2hgi n ARG 126 Cb 0.43 -2.36 -0.10 0.00 0.45 0.00 0.00 32.46 30.87 2hgi n ARG 126 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2hgi s ASN 127 N 3.09 5.96 0.00 6.15 3.84 -1.26 -5.03 114.94 127.70 2hgi s ASN 127 Ca 0.43 -0.88 0.00 0.00 0.21 0.00 0.00 52.86 52.61 2hgi s ASN 127 Cb 0.13 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.72 2hgi s ASN 127 CO -0.03 -0.40 0.00 -2.65 -2.79 0.00 0.00 177.10 171.23 2hgi n PRO 128 N 5.10 0.00 0.00 0.43 -0.02 -1.26 -1.06 135.00 138.18 2hgi n PRO 128 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2hgi n PRO 128 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 2hgi n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2hgi n ILE 129 N -0.33 0.00 -0.23 4.25 5.41 -1.26 -1.02 119.36 126.17 2hgi n ILE 129 Ca 0.00 0.84 0.11 0.00 1.00 0.00 0.00 62.75 64.70 2hgi n ILE 129 Cb 0.00 -1.73 0.21 0.00 -0.71 0.00 0.00 39.64 37.41 2hgi n ILE 129 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2hgi n ASN 130 N -0.42 -0.06 -0.15 4.38 2.85 -1.14 0.21 115.26 120.93 2hgi n ASN 130 Ca 0.00 1.15 -0.11 0.00 -0.11 0.00 0.00 54.58 55.50 2hgi n ASN 130 Cb 0.00 -0.43 -0.01 0.00 1.24 0.00 0.00 39.78 40.59 2hgi n ASN 130 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2hgi h ILE 131 N 0.00 1.27 -0.80 -1.44 -0.00 -1.11 -0.69 117.51 114.74 2hgi h ILE 131 Ca 0.42 -1.28 0.17 0.00 -0.00 0.00 0.00 64.86 64.17 2hgi h ILE 131 Cb 0.89 1.16 -0.11 0.00 -0.00 0.00 0.00 36.82 38.75 2hgi h ILE 131 CO -0.63 0.44 0.28 0.00 -0.00 0.00 0.00 178.15 178.24 2hgi h ALA 132 N 0.86 1.14 -0.47 0.18 0.00 0.42 -0.01 119.26 121.39 2hgi h ALA 132 Ca 0.11 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2hgi h ALA 132 Cb 0.70 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2hgi h ALA 132 CO 0.05 -0.30 -0.22 1.88 0.00 0.00 0.00 179.25 180.67 2hgi h TYR 133 N 0.37 1.12 -0.56 0.00 0.99 -0.19 -0.64 116.97 118.05 2hgi h TYR 133 Ca 0.46 -0.27 0.11 0.00 2.00 0.00 0.00 58.73 61.03 2hgi h TYR 133 Cb 0.80 -0.26 -0.11 0.00 1.00 0.00 0.00 36.73 38.15 2hgi h TYR 133 CO -0.20 1.09 -0.29 0.00 -0.00 0.00 0.00 178.16 178.77 2hgi h ALA 134 N 0.90 0.05 -1.16 3.88 0.00 0.09 -0.14 119.26 122.87 2hgi h ALA 134 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2hgi h ALA 134 Cb 0.79 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2hgi h ALA 134 CO 0.07 -0.62 0.00 2.41 0.00 0.00 0.00 179.25 181.11 2hgi n THR 135 N -5.43 0.00 -0.20 0.00 -1.04 -0.14 -1.11 114.28 106.37 2hgi n THR 135 Ca 0.04 1.31 -0.04 0.00 -2.04 0.00 0.00 64.05 63.32 2hgi n THR 135 Cb 0.35 -1.94 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 2hgi n THR 135 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2hgi n MET 136 N -2.01 -0.19 0.14 -2.82 2.00 -0.31 -0.59 117.12 113.33 2hgi n MET 136 Ca 0.00 0.72 -0.14 0.00 0.00 0.00 0.00 57.70 58.28 2hgi n MET 136 Cb 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 33.22 32.09 2hgi n MET 136 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2hgi h GLU 137 N 0.00 -0.60 -0.72 0.03 4.57 0.39 -0.74 114.58 117.51 2hgi h GLU 137 Ca 0.10 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.45 2hgi h GLU 137 Cb 0.21 0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 28.85 2hgi h GLU 137 CO -0.45 -0.40 0.25 0.00 -1.18 0.00 0.00 179.01 177.22 2hgi h ALA 138 N -0.07 0.97 -0.06 2.92 0.00 0.76 0.25 119.26 124.03 2hgi h ALA 138 Ca 0.02 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hgi h ALA 138 Cb 0.63 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2hgi h ALA 138 CO -0.18 -0.25 -0.11 -0.07 0.00 0.00 0.00 179.25 178.64 2hgi h LEU 139 N 0.38 -0.35 -0.83 0.00 3.38 -0.42 -2.15 115.31 115.32 2hgi h LEU 139 Ca 0.39 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.53 2hgi h LEU 139 Cb 0.61 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 2hgi h LEU 139 CO -0.42 -0.08 -0.33 -1.14 0.09 0.00 0.00 178.44 176.56 2hgi n ARG 140 N -3.18 -0.20 -0.31 1.13 0.63 0.76 -4.41 116.66 111.07 2hgi n ARG 140 Ca -0.01 1.28 -0.26 0.00 -0.92 0.00 0.00 57.85 57.94 2hgi n ARG 140 Cb 0.07 -1.89 0.25 0.00 0.45 0.00 0.00 32.46 31.33 2hgi n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2hgi n GLN 141 N -5.21 -4.10 -0.50 -0.14 3.00 -0.51 -4.79 117.38 105.12 2hgi n GLN 141 Ca 0.08 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 2hgi n GLN 141 Cb 0.33 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.79 2hgi n GLN 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2hgi n LEU 142 N -4.37 -3.02 -3.66 1.08 4.77 -1.26 -4.79 117.00 105.74 2hgi n LEU 142 Ca 0.11 0.76 -0.07 0.00 -0.03 0.00 0.00 56.01 56.78 2hgi n LEU 142 Cb 0.51 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2hgi n LEU 142 CO 0.33 -0.19 0.18 0.00 -1.33 0.00 0.00 177.39 176.39 2hgi s ARG 143 N -3.40 0.51 0.00 3.23 3.03 -1.26 -4.35 118.95 116.72 2hgi s ARG 143 Ca 0.00 1.09 0.00 0.00 2.03 0.00 0.00 55.73 58.85 2hgi s ARG 143 Cb 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 34.95 34.16 2hgi s ARG 143 CO 0.00 -0.18 0.00 2.41 -1.13 0.00 0.00 175.30 176.40 2hgi n THR 144 N 4.69 0.00 -0.41 4.99 -1.04 -1.26 -4.11 114.28 117.13 2hgi n THR 144 Ca -0.18 0.00 0.37 0.00 -2.04 0.00 0.00 64.05 62.21 2hgi n THR 144 Cb 0.54 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.77 2hgi n THR 144 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2hgi h LYS 145 N 0.00 0.06 0.00 -2.82 3.64 -1.99 1.66 116.57 117.13 2hgi h LYS 145 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hgi h LYS 145 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2hgi h LYS 145 CO 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 2hgi n ALA 146 N -2.73 -0.19 -0.27 5.00 0.00 -1.26 -1.06 120.51 120.00 2hgi n ALA 146 Ca 0.31 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.96 2hgi n ALA 146 Cb 1.37 0.29 0.53 0.00 0.00 0.00 0.00 19.45 21.65 2hgi n ALA 146 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2hgi h ASP 147 N 0.00 0.38 -0.21 0.00 3.32 0.22 0.20 116.42 120.33 2hgi h ASP 147 Ca 0.00 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2hgi h ASP 147 Cb 0.00 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 2hgi h ASP 147 CO 0.00 0.12 -0.34 0.58 -1.72 0.00 0.00 179.24 177.89 2hgi h VAL 148 N 0.36 0.00 -0.36 -1.35 2.07 0.30 0.63 116.25 117.91 2hgi h VAL 148 Ca 0.51 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.10 2hgi h VAL 148 Cb 1.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 2hgi h VAL 148 CO -0.19 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.67 2hgi h GLU 149 N -0.27 -0.32 0.00 1.57 4.39 0.62 -0.77 114.58 119.80 2hgi h GLU 149 Ca 0.04 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2hgi h GLU 149 Cb 0.37 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2hgi h GLU 149 CO -0.34 -0.21 0.00 0.54 -1.16 0.00 0.00 179.01 177.84 2hgi n ARG 150 N -5.42 0.00 0.08 2.33 5.12 0.21 0.17 116.66 119.15 2hgi n ARG 150 Ca -0.01 0.06 -0.08 0.00 -1.93 0.00 0.00 57.85 55.89 2hgi n ARG 150 Cb 0.35 -0.09 0.02 0.00 -1.16 0.00 0.00 32.46 31.57 2hgi n ARG 150 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2hgi h LEU 151 N 0.00 0.26 -0.35 0.55 -0.00 -0.88 -3.30 115.31 111.60 2hgi h LEU 151 Ca 0.00 -0.20 0.06 0.00 -0.00 0.00 0.00 57.88 57.74 2hgi h LEU 151 Cb 0.00 -0.08 -0.08 0.00 -0.00 0.00 0.00 40.66 40.50 2hgi h LEU 151 CO 0.00 0.97 -0.44 0.03 -0.00 0.00 0.00 178.44 179.00 2hgi h ARG 152 N 0.12 -0.36 0.00 1.13 2.47 0.32 -3.39 114.38 114.68 2hgi h ARG 152 Ca -0.04 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2hgi h ARG 152 Cb 1.43 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2hgi h ARG 152 CO 0.13 -0.24 0.00 1.17 0.56 0.00 0.00 179.97 181.59 2hgi n LYS 153 N -5.42 0.00 0.00 0.04 4.81 0.28 -5.07 118.16 112.80 2hgi n LYS 153 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2hgi n LYS 153 Cb 0.35 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.18 2hgi n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98