#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq s LYS 2 N 0.00 0.66 -0.01 3.17 1.02 -1.26 -1.13 119.74 122.19 2hgq s LYS 2 Ca 0.00 0.79 0.05 0.00 0.02 0.00 0.00 55.97 56.83 2hgq s LYS 2 Cb 0.00 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.61 2hgq s LYS 2 CO 0.00 -0.08 -0.17 0.20 -0.92 0.00 0.00 175.35 174.38 2hgq s GLY 3 N 0.32 0.82 -0.19 -3.33 0.00 0.18 -4.98 107.32 100.14 2hgq s GLY 3 Ca -0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 44.72 43.92 2hgq s GLY 3 CO 0.00 -0.62 0.03 -0.26 0.00 0.00 0.00 173.10 172.25 2hgq s ILE 4 N -0.44 4.36 0.16 0.90 -5.25 -1.26 -0.92 121.20 118.74 2hgq s ILE 4 Ca 0.06 -0.18 -0.10 0.00 -0.99 0.00 0.00 60.65 59.44 2hgq s ILE 4 Cb -0.07 -2.96 -0.00 0.00 2.95 0.00 0.00 42.46 42.38 2hgq s ILE 4 CO -0.00 0.45 0.31 -1.48 -1.79 0.00 0.00 174.94 172.42 2hgq s LEU 5 N 0.64 0.88 -0.34 0.37 -0.00 -0.23 -4.59 118.68 115.40 2hgq s LEU 5 Ca 0.01 -0.79 -0.11 0.00 -0.00 0.00 0.00 54.13 53.24 2hgq s LEU 5 Cb -0.14 1.31 0.00 0.00 -0.00 0.00 0.00 46.19 47.37 2hgq s LEU 5 CO 0.02 -0.90 0.20 -0.83 -0.00 0.00 0.00 176.35 174.84 2hgq s GLY 6 N -2.94 1.92 -0.06 -3.48 0.00 -0.11 -1.06 107.32 101.58 2hgq s GLY 6 Ca 0.15 -1.51 -0.28 0.00 0.00 0.00 0.00 44.72 43.08 2hgq s GLY 6 CO -0.02 0.77 0.89 0.54 0.00 0.00 0.00 173.10 175.29 2hgq s VAL 7 N 1.63 4.90 0.00 1.40 0.11 -0.04 -0.92 120.40 127.47 2hgq s VAL 7 Ca 0.04 1.84 0.00 0.00 -2.93 0.00 0.00 61.98 60.94 2hgq s VAL 7 Cb -0.18 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.45 2hgq s VAL 7 CO 0.08 0.14 0.00 1.17 -3.33 0.00 0.00 175.10 173.15 2hgq n LYS 8 N 4.26 0.00 -4.38 1.54 0.00 0.30 0.21 118.16 120.10 2hgq n LYS 8 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.16 2hgq n LYS 8 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.43 2hgq n LYS 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2hgq s VAL 9 N 1.03 1.33 0.12 3.15 -7.23 -1.25 0.12 120.40 117.68 2hgq s VAL 9 Ca 0.00 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.00 2hgq s VAL 9 Cb 0.00 -2.38 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 2hgq s VAL 9 CO 0.00 -0.33 0.43 -0.83 -0.31 0.00 0.00 175.10 174.07 2hgq s GLY 10 N -3.37 2.33 0.27 2.32 0.00 -1.26 -0.77 107.32 106.84 2hgq s GLY 10 Ca 0.28 -0.37 -0.20 0.00 0.00 0.00 0.00 44.72 44.44 2hgq s GLY 10 CO 0.10 -0.18 0.67 -0.29 0.00 0.00 0.00 173.10 173.41 2hgq s MET 11 N -2.17 1.73 0.15 2.90 0.00 -0.01 -4.95 119.30 116.95 2hgq s MET 11 Ca 0.37 -1.02 0.02 0.00 0.00 0.00 0.00 55.69 55.06 2hgq s MET 11 Cb -0.13 0.58 -0.04 0.00 0.00 0.00 0.00 34.83 35.24 2hgq s MET 11 CO 0.20 -0.78 0.30 0.99 0.00 0.00 0.00 175.02 175.73 2hgq s THR 12 N -3.93 5.30 0.09 10.11 2.01 -1.26 -0.76 115.64 127.20 2hgq s THR 12 Ca 0.13 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 2hgq s THR 12 Cb -0.05 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.73 2hgq s THR 12 CO 0.07 -0.09 0.12 -2.11 -0.69 0.00 0.00 174.62 171.91 2hgq n ARG 13 N -0.51 0.17 -4.20 4.92 -4.01 0.01 -4.79 116.66 108.25 2hgq n ARG 13 Ca -0.06 -0.75 -0.16 0.00 -1.04 0.00 0.00 57.85 55.84 2hgq n ARG 13 Cb 0.54 0.70 -0.11 0.00 -3.04 0.00 0.00 32.46 30.55 2hgq n ARG 13 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 2hgq s ILE 14 N -2.50 1.09 0.34 8.89 -5.25 -1.26 -1.03 121.20 121.47 2hgq s ILE 14 Ca 0.08 -1.69 0.06 0.00 -0.99 0.00 0.00 60.65 58.11 2hgq s ILE 14 Cb -0.00 -1.45 -0.02 0.00 2.95 0.00 0.00 42.46 43.94 2hgq s ILE 14 CO 0.06 -0.52 0.22 0.33 -1.79 0.00 0.00 174.94 173.23 2hgq n PHE 15 N 0.50 -0.44 0.00 1.37 7.35 0.27 -4.90 117.46 121.60 2hgq n PHE 15 Ca -0.15 -2.59 0.00 0.00 -0.76 0.00 0.00 57.45 53.95 2hgq n PHE 15 Cb 0.58 0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.58 2hgq n PHE 15 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2hgq n ARG 16 N -0.69 0.00 -1.59 -4.13 1.74 -1.26 -1.11 116.66 109.61 2hgq n ARG 16 Ca 0.03 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 2hgq n ARG 16 Cb 0.57 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.07 2hgq n ARG 16 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2hgq n ASP 17 N 0.00 6.69 -3.58 0.55 3.85 -1.26 -4.93 116.55 117.87 2hgq n ASP 17 Ca 0.00 -3.78 -0.11 0.00 -0.71 0.00 0.00 54.79 50.19 2hgq n ASP 17 Cb 0.00 -0.75 -0.06 0.00 -1.35 0.00 0.00 41.12 38.97 2hgq n ASP 17 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 2hgq s ASP 18 N -2.48 -0.42 0.94 -1.12 3.84 -0.27 -5.16 116.67 112.01 2hgq s ASP 18 Ca 0.60 0.53 -0.15 0.00 -0.00 0.00 0.00 52.55 53.53 2hgq s ASP 18 Cb 0.47 0.45 0.17 0.00 -1.38 0.00 0.00 42.92 42.63 2hgq s ASP 18 CO 0.00 -0.34 1.25 -0.60 -0.00 0.00 0.00 175.17 175.49 2hgq s ARG 19 N -0.86 0.86 0.00 2.11 3.52 -1.26 -0.57 118.95 122.75 2hgq s ARG 19 Ca -0.02 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 2hgq s ARG 19 Cb -0.01 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 2hgq s ARG 19 CO 0.01 -2.30 0.00 0.00 -0.81 0.00 0.00 175.30 172.20 2hgq n ALA 20 N -3.74 0.00 -2.43 6.12 0.00 -0.20 -4.70 120.51 115.56 2hgq n ALA 20 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.29 2hgq n ALA 20 Cb 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 2hgq n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgq s VAL 21 N -2.00 1.97 0.05 0.00 0.11 -1.26 -0.81 120.40 118.45 2hgq s VAL 21 Ca 0.00 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 2hgq s VAL 21 Cb 0.00 -1.72 -0.00 0.00 -1.53 0.00 0.00 36.38 33.13 2hgq s VAL 21 CO 0.00 0.18 0.00 -0.81 -3.33 0.00 0.00 175.10 171.14 2hgq n PRO 22 N 1.45 1.68 -3.91 1.54 -0.04 0.06 -4.03 135.00 131.77 2hgq n PRO 22 Ca -0.18 -0.41 -0.10 0.00 -0.04 0.00 0.00 63.50 62.77 2hgq n PRO 22 Cb 0.53 0.13 -0.10 0.00 -0.04 0.00 0.00 33.50 34.02 2hgq n PRO 22 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hgq s VAL 23 N -1.30 0.11 -0.56 0.52 -7.23 -1.26 -0.83 120.40 109.85 2hgq s VAL 23 Ca 0.00 -0.88 -0.21 0.00 -1.81 0.00 0.00 61.98 59.08 2hgq s VAL 23 Cb 0.00 -0.60 0.06 0.00 0.56 0.00 0.00 36.38 36.40 2hgq s VAL 23 CO 0.00 -0.49 0.78 -0.89 -0.31 0.00 0.00 175.10 174.20 2hgq s THR 24 N -1.90 4.63 -0.18 5.32 2.01 0.05 -1.14 115.64 124.43 2hgq s THR 24 Ca -0.11 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 2hgq s THR 24 Cb -0.05 -4.46 -0.05 0.00 0.01 0.00 0.00 72.50 67.95 2hgq s THR 24 CO -0.01 -1.05 0.12 -0.69 -0.69 0.00 0.00 174.62 172.30 2hgq s VAL 25 N 3.26 5.35 -0.03 3.82 1.01 0.14 -0.54 120.40 133.40 2hgq s VAL 25 Ca 0.20 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2hgq s VAL 25 Cb -0.18 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2hgq s VAL 25 CO 0.13 0.48 -0.06 -0.51 0.00 0.00 0.00 175.10 175.14 2hgq s ILE 26 N 0.08 0.59 -0.26 2.22 2.07 -0.10 -0.81 121.20 124.99 2hgq s ILE 26 Ca 0.09 -0.22 -0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2hgq s ILE 26 Cb -0.11 -0.56 0.14 0.00 0.13 0.00 0.00 42.46 42.06 2hgq s ILE 26 CO -0.01 0.21 0.39 -0.22 -1.91 0.00 0.00 174.94 173.40 2hgq s LEU 27 N 0.47 -0.68 0.00 8.50 2.96 -0.28 -0.94 118.68 128.72 2hgq s LEU 27 Ca -0.06 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2hgq s LEU 27 Cb -0.10 1.13 0.00 0.00 0.50 0.00 0.00 46.19 47.72 2hgq s LEU 27 CO 0.00 -0.31 0.71 0.00 -1.32 0.00 0.00 176.35 175.43 2hgq n ALA 28 N 5.36 -0.05 0.00 5.97 0.00 -1.26 -4.71 120.51 125.82 2hgq n ALA 28 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2hgq n ALA 28 Cb 0.50 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.22 2hgq n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 29 N -0.93 0.55 3.50 0.00 0.00 -1.26 -4.61 105.19 102.45 2hgq n GLY 29 Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 2hgq n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgq s PRO 30 N 0.00 -1.21 0.15 1.61 0.04 -0.80 -4.61 135.00 130.18 2hgq s PRO 30 Ca 0.00 0.41 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 2hgq s PRO 30 Cb 0.00 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2hgq s PRO 30 CO 0.00 -3.81 0.30 0.00 0.04 0.00 0.00 177.00 173.53 2hgq n PRO 32 N -0.19 0.06 0.02 0.00 -0.04 -1.26 -3.96 135.00 129.63 2hgq n PRO 32 Ca -0.10 -1.25 -0.19 0.00 -0.04 0.00 0.00 63.50 61.91 2hgq n PRO 32 Cb 0.63 -3.14 -0.09 0.00 -0.04 0.00 0.00 33.50 30.85 2hgq n PRO 32 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2hgq h VAL 33 N 6.52 1.28 -2.73 0.52 -1.51 -1.70 -3.46 116.25 115.16 2hgq h VAL 33 Ca 0.03 -2.15 -0.12 0.00 -1.23 0.00 0.00 66.70 63.23 2hgq h VAL 33 Cb 0.95 2.24 -0.23 0.00 -2.13 0.00 0.00 31.29 32.12 2hgq h VAL 33 CO 1.10 0.67 -0.21 -0.69 -1.23 0.00 0.00 177.57 177.21 2hgq s VAL 34 N -3.47 0.01 -0.05 7.19 1.01 -0.39 -4.84 120.40 119.85 2hgq s VAL 34 Ca -0.10 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.87 2hgq s VAL 34 Cb 0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2hgq s VAL 34 CO 0.92 -0.04 -0.22 -1.10 0.00 0.00 0.00 175.10 174.65 2hgq s GLN 35 N -0.06 2.28 -0.52 2.72 1.11 -1.26 -1.03 119.66 122.90 2hgq s GLN 35 Ca -0.02 -0.80 -0.11 0.00 0.01 0.00 0.00 55.36 54.43 2hgq s GLN 35 Cb -0.03 -1.95 0.13 0.00 -1.01 0.00 0.00 33.01 30.15 2hgq s GLN 35 CO 0.02 0.34 0.42 1.03 0.01 0.00 0.00 175.29 177.10 2hgq s ARG 36 N -0.10 2.70 0.43 2.91 1.81 -0.34 -4.88 118.95 121.48 2hgq s ARG 36 Ca -0.03 -1.82 0.25 0.00 -1.72 0.00 0.00 55.73 52.41 2hgq s ARG 36 Cb -0.13 -4.07 1.37 0.00 -0.45 0.00 0.00 34.95 31.68 2hgq s ARG 36 CO 0.03 -1.24 1.75 0.00 -0.68 0.00 0.00 175.30 175.16 2hgq h ARG 37 N 8.50 0.00 0.00 3.54 3.08 -1.83 -0.73 114.38 126.93 2hgq h ARG 37 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2hgq h ARG 37 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2hgq h ARG 37 CO 0.91 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 182.22 2hgq n THR 38 N -2.45 0.00 0.25 2.04 -1.04 -1.08 -4.42 114.28 107.58 2hgq n THR 38 Ca -0.02 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.17 2hgq n THR 38 Cb 0.15 0.00 0.87 0.00 -1.82 0.00 0.00 70.33 69.53 2hgq n THR 38 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hgq h PRO 39 N 0.00 0.00 0.00 -2.82 0.11 -1.96 1.24 132.00 128.58 2hgq h PRO 39 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hgq h PRO 39 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2hgq h PRO 39 CO 0.00 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.18 2hgq n GLU 40 N -3.32 0.00 -3.81 1.05 -0.58 -1.26 -4.70 120.64 108.02 2hgq n GLU 40 Ca 0.01 0.41 -0.30 0.00 -0.42 0.00 0.00 57.16 56.86 2hgq n GLU 40 Cb 0.37 -0.96 -0.14 0.00 -0.57 0.00 0.00 31.44 30.13 2hgq n GLU 40 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2hgq s LYS 41 N -1.01 1.26 0.00 3.49 3.01 -0.54 -4.88 119.74 121.07 2hgq s LYS 41 Ca 0.00 -1.81 0.00 0.00 -1.01 0.00 0.00 55.97 53.15 2hgq s LYS 41 Cb 0.00 -2.54 0.00 0.00 -1.01 0.00 0.00 37.83 34.28 2hgq s LYS 41 CO 0.00 -1.06 0.00 -0.25 0.51 0.00 0.00 175.35 174.55 2hgq n ASP 42 N 3.98 0.00 -0.91 2.83 10.43 0.42 0.29 116.55 133.59 2hgq n ASP 42 Ca 0.04 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.40 2hgq n ASP 42 Cb 0.38 0.00 0.20 0.00 1.84 0.00 0.00 41.12 43.54 2hgq n ASP 42 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hgq n GLY 43 N 0.20 5.08 0.00 0.44 0.00 -1.26 -4.93 105.19 104.71 2hgq n GLY 43 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2hgq n GLY 43 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2hgq n TYR 44 N -1.11 0.00 -2.23 1.61 -0.00 0.85 -4.59 117.16 111.68 2hgq n TYR 44 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.17 2hgq n TYR 44 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.20 2hgq n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2hgq n THR 45 N 0.00 0.00 -4.91 2.97 5.66 -0.28 -1.23 114.28 116.49 2hgq n THR 45 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 2hgq n THR 45 Cb 0.00 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 2hgq n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hgq s ALA 46 N -1.30 1.69 -0.08 1.79 0.00 -0.64 -1.19 121.76 122.02 2hgq s ALA 46 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2hgq s ALA 46 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2hgq s ALA 46 CO 0.00 0.23 -0.22 0.08 0.00 0.00 0.00 175.76 175.85 2hgq s VAL 47 N 0.34 2.28 0.20 0.00 1.01 -0.20 -1.25 120.40 122.79 2hgq s VAL 47 Ca -0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2hgq s VAL 47 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2hgq s VAL 47 CO 0.05 0.56 0.24 0.00 0.00 0.00 0.00 175.10 175.95 2hgq s GLN 48 N 0.07 1.26 0.18 2.72 0.00 0.00 -1.27 119.66 122.63 2hgq s GLN 48 Ca -0.10 -1.44 0.08 0.00 -0.00 0.00 0.00 55.36 53.90 2hgq s GLN 48 Cb -0.15 0.34 -0.04 0.00 0.00 0.00 0.00 33.01 33.15 2hgq s GLN 48 CO 0.06 -0.45 -0.15 -1.17 0.00 0.00 0.00 175.29 173.58 2hgq s LEU 49 N -3.08 2.51 -0.03 2.60 1.98 -1.22 -1.03 118.68 120.41 2hgq s LEU 49 Ca 0.30 -0.96 0.24 0.00 -2.89 0.00 0.00 54.13 50.82 2hgq s LEU 49 Cb 0.04 -0.69 0.42 0.00 0.66 0.00 0.00 46.19 46.63 2hgq s LEU 49 CO 0.08 -0.14 1.17 0.61 -1.89 0.00 0.00 176.35 176.19 2hgq n GLY 50 N -0.11 1.50 0.00 7.98 0.00 -0.34 -2.42 105.19 111.79 2hgq n GLY 50 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2hgq n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2hgq n PHE 51 N 0.30 0.00 0.00 1.61 -1.74 -1.26 -4.02 117.46 112.35 2hgq n PHE 51 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.97 2hgq n PHE 51 Cb 1.09 0.00 0.00 0.00 1.52 0.00 0.00 39.48 42.09 2hgq n PHE 51 CO 0.00 0.00 0.00 1.47 -0.56 0.00 0.00 176.76 177.67 2hgq n LEU 52 N 0.00 0.00 -4.31 5.98 -0.00 -1.26 -3.90 117.00 113.51 2hgq n LEU 52 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2hgq n LEU 52 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2hgq n LEU 52 CO 0.00 0.00 -0.04 -2.16 -0.00 0.00 0.00 177.39 175.19 2hgq s PRO 53 N 0.00 2.74 0.08 1.47 0.04 -1.26 -4.85 135.00 133.23 2hgq s PRO 53 Ca 0.00 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.59 2hgq s PRO 53 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2hgq s PRO 53 CO 0.00 -1.01 0.00 0.94 0.04 0.00 0.00 177.00 176.97 2hgq n GLN 54 N 5.03 -0.74 -0.10 4.56 -0.06 -1.26 -4.85 117.38 119.95 2hgq n GLN 54 Ca -0.11 0.55 -0.24 0.00 -2.00 0.00 0.00 57.00 55.20 2hgq n GLN 54 Cb 0.43 -1.04 -0.12 0.00 -4.06 0.00 0.00 30.24 25.45 2hgq n GLN 54 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2hgq n ASN 55 N -0.51 1.97 0.11 1.69 2.85 -1.26 -4.06 115.26 116.05 2hgq n ASN 55 Ca 0.00 0.20 0.14 0.00 -0.11 0.00 0.00 54.58 54.82 2hgq n ASN 55 Cb 0.00 -0.75 0.35 0.00 1.24 0.00 0.00 39.78 40.63 2hgq n ASN 55 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2hgq h PRO 56 N -0.55 0.00 -4.36 1.20 0.11 -2.00 -3.16 132.00 123.24 2hgq h PRO 56 Ca -0.55 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.83 2hgq h PRO 56 Cb 1.70 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.57 2hgq h PRO 56 CO -0.20 0.00 -0.38 0.15 -0.21 0.00 0.00 178.00 177.36 2hgq s LYS 57 N -4.24 2.86 0.00 1.05 1.02 -1.26 -5.02 119.74 114.16 2hgq s LYS 57 Ca -0.02 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.60 2hgq s LYS 57 Cb 0.08 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 2hgq s LYS 57 CO 0.27 -0.99 0.00 -2.13 -0.92 0.00 0.00 175.35 171.58 2hgq n ARG 58 N 5.11 0.00 -1.66 1.68 0.63 -1.20 -4.86 116.66 116.36 2hgq n ARG 58 Ca -0.12 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.40 2hgq n ARG 58 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 2hgq n ARG 58 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2hgq n VAL 59 N 0.00 2.33 -0.04 5.15 0.31 -1.26 -4.75 118.33 120.08 2hgq n VAL 59 Ca 0.00 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 2hgq n VAL 59 Cb 0.00 -1.39 -0.08 0.00 -0.91 0.00 0.00 33.84 31.46 2hgq n VAL 59 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2hgq h ASN 60 N 2.03 -1.40 -0.01 4.52 7.08 -2.01 -0.63 115.58 125.17 2hgq h ASN 60 Ca -0.46 0.17 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 2hgq h ASN 60 Cb 1.31 0.55 -0.00 0.00 -2.08 0.00 0.00 38.32 38.10 2hgq h ASN 60 CO 0.60 -0.36 -0.01 0.54 -2.08 0.00 0.00 177.43 176.11 2hgq n ARG 61 N -4.82 -0.01 -0.36 4.14 3.00 -1.26 0.22 116.66 117.58 2hgq n ARG 61 Ca -0.04 0.78 -0.03 0.00 -0.01 0.00 0.00 57.85 58.54 2hgq n ARG 61 Cb 0.29 -1.16 0.01 0.00 0.00 0.00 0.00 32.46 31.59 2hgq n ARG 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2hgq n PRO 62 N -2.81 -0.26 -0.31 5.56 -0.02 -0.71 0.05 135.00 136.50 2hgq n PRO 62 Ca 0.00 1.41 -0.03 0.00 -2.02 0.00 0.00 63.50 62.86 2hgq n PRO 62 Cb 0.00 -2.08 0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2hgq n PRO 62 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2hgq h LEU 63 N 0.00 -1.32 0.00 2.45 3.38 0.42 -0.55 115.31 119.68 2hgq h LEU 63 Ca 0.28 0.28 -0.21 0.00 0.09 0.00 0.00 57.88 58.32 2hgq h LEU 63 Cb 0.51 0.68 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2hgq h LEU 63 CO -0.90 -0.30 -1.14 0.11 0.09 0.00 0.00 178.44 176.31 2hgq h LYS 64 N -0.07 0.00 -0.87 1.13 1.57 0.13 -0.54 116.57 117.92 2hgq h LYS 64 Ca 0.30 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.26 2hgq h LYS 64 Cb 0.58 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.78 2hgq h LYS 64 CO -0.86 0.70 0.42 0.78 -0.57 0.00 0.00 179.45 179.92 2hgq h GLY 65 N 3.30 1.46 0.89 3.86 0.00 -0.07 0.60 103.07 113.11 2hgq h GLY 65 Ca -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 2hgq h GLY 65 CO 0.10 -0.15 -0.43 0.84 0.00 0.00 0.00 176.54 176.90 2hgq h HIS 66 N 0.52 -1.11 0.00 5.60 -0.00 -1.00 -2.92 115.15 116.24 2hgq h HIS 66 Ca 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.85 2hgq h HIS 66 Cb 0.85 0.37 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 2hgq h HIS 66 CO -0.11 -0.69 0.00 0.34 -0.00 0.00 0.00 177.93 177.47 2hgq n PHE 67 N -5.49 0.00 0.00 5.26 7.35 0.19 -0.47 117.46 124.30 2hgq n PHE 67 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2hgq n PHE 67 Cb 0.47 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 39.91 2hgq n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hgq n ALA 68 N -3.39 0.00 0.46 3.13 0.00 -0.15 0.26 120.51 120.81 2hgq n ALA 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2hgq n ALA 68 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 2hgq n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2hgq n LYS 69 N 0.00 2.41 -1.62 0.00 4.81 -1.12 -5.05 118.16 117.59 2hgq n LYS 69 Ca 0.00 -2.13 0.00 0.00 -0.87 0.00 0.00 58.31 55.31 2hgq n LYS 69 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2hgq n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgq n ALA 70 N 1.35 -1.26 -0.31 3.14 0.00 0.71 -5.07 120.51 119.07 2hgq n ALA 70 Ca 0.19 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2hgq n ALA 70 Cb 0.57 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2hgq n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 71 N 0.65 -0.11 0.00 0.00 0.00 -1.26 -4.99 105.19 99.47 2hgq n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgq n GLY 71 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgq n VAL 72 N -2.04 0.00 -3.22 1.61 0.24 -1.26 -5.12 118.33 108.53 2hgq n VAL 72 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 2hgq n VAL 72 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 2hgq n VAL 72 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2hgq n GLU 73 N 0.00 1.88 0.00 7.34 0.00 -1.26 -5.03 120.64 123.57 2hgq n GLU 73 Ca 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 57.16 53.08 2hgq n GLU 73 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 29.58 2hgq n GLU 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2hgq n PRO 74 N 0.72 3.84 0.00 5.31 -0.04 -1.25 -4.09 135.00 139.48 2hgq n PRO 74 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2hgq n PRO 74 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2hgq n PRO 74 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2hgq n VAL 75 N 0.00 0.00 -2.72 0.52 0.24 -1.26 -4.51 118.33 110.59 2hgq n VAL 75 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 2hgq n VAL 75 Cb 0.00 0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 2hgq n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgq s ARG 76 N 0.00 3.36 -0.01 7.34 1.70 -1.26 -4.98 118.95 125.10 2hgq s ARG 76 Ca 0.00 -0.14 -0.12 0.00 -0.47 0.00 0.00 55.73 55.00 2hgq s ARG 76 Cb 0.00 -4.07 0.02 0.00 -0.57 0.00 0.00 34.95 30.33 2hgq s ARG 76 CO 0.00 -1.65 0.26 -1.50 -1.08 0.00 0.00 175.30 171.33 2hgq s ILE 77 N 4.48 0.06 0.19 4.99 2.07 -1.26 -1.20 121.20 130.53 2hgq s ILE 77 Ca 0.34 -0.53 -0.22 0.00 -1.41 0.00 0.00 60.65 58.83 2hgq s ILE 77 Cb -0.11 -0.55 0.07 0.00 0.13 0.00 0.00 42.46 42.00 2hgq s ILE 77 CO 0.20 -0.29 0.99 -0.76 -1.91 0.00 0.00 174.94 173.17 2hgq s LEU 78 N -1.30 -0.05 0.16 8.50 1.02 -0.20 -4.97 118.68 121.84 2hgq s LEU 78 Ca -0.14 -0.63 0.06 0.00 0.02 0.00 0.00 54.13 53.44 2hgq s LEU 78 Cb -0.06 2.18 -0.04 0.00 0.02 0.00 0.00 46.19 48.29 2hgq s LEU 78 CO 0.03 -1.03 -0.13 -0.60 0.02 0.00 0.00 176.35 174.64 2hgq s ARG 79 N -2.54 1.15 -0.19 1.70 3.52 -1.26 -0.82 118.95 120.51 2hgq s ARG 79 Ca 0.18 -1.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.23 2hgq s ARG 79 Cb -0.02 -0.92 0.06 0.00 -1.56 0.00 0.00 34.95 32.50 2hgq s ARG 79 CO 0.05 0.16 0.47 -1.83 -0.81 0.00 0.00 175.30 173.33 2hgq s GLU 80 N -3.30 0.48 0.81 5.12 1.03 -0.38 -4.98 118.70 117.48 2hgq s GLU 80 Ca 0.16 0.81 -0.12 0.00 0.03 0.00 0.00 54.97 55.86 2hgq s GLU 80 Cb -0.01 0.08 0.08 0.00 -0.80 0.00 0.00 34.13 33.47 2hgq s GLU 80 CO 0.04 -0.13 1.12 0.42 -1.33 0.00 0.00 175.26 175.38 2hgq s ILE 81 N 1.11 2.73 -1.42 1.83 1.01 -1.26 -1.61 121.20 123.58 2hgq s ILE 81 Ca -0.07 0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.72 2hgq s ILE 81 Cb -0.06 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.39 2hgq s ILE 81 CO -0.10 -0.31 0.64 0.54 0.00 0.00 0.00 174.94 175.72 2hgq n ARG 82 N -3.41 -4.30 -3.56 2.79 5.12 -0.36 -4.88 116.66 108.04 2hgq n ARG 82 Ca 0.07 0.61 -0.29 0.00 -1.93 0.00 0.00 57.85 56.31 2hgq n ARG 82 Cb 0.58 -5.41 -0.15 0.00 -1.16 0.00 0.00 32.46 26.32 2hgq n ARG 82 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2hgq s ASP 83 N -2.86 3.59 0.91 0.55 1.47 -1.26 -4.88 116.67 114.18 2hgq s ASP 83 Ca 0.45 -1.38 -0.10 0.00 1.18 0.00 0.00 52.55 52.69 2hgq s ASP 83 Cb -0.22 -0.43 0.14 0.00 -0.34 0.00 0.00 42.92 42.07 2hgq s ASP 83 CO 0.55 -0.43 1.15 0.12 0.68 0.00 0.00 175.17 177.24 2hgq s PHE 84 N 1.98 1.63 -0.69 2.11 5.36 -1.26 -4.10 117.98 123.01 2hgq s PHE 84 Ca 0.10 1.79 0.05 0.00 -0.96 0.00 0.00 56.93 57.91 2hgq s PHE 84 Cb -0.17 -3.35 0.26 0.00 -0.34 0.00 0.00 43.02 39.43 2hgq s PHE 84 CO -0.34 -2.80 0.84 0.09 -1.46 0.00 0.00 175.22 171.56 2hgq n ASN 85 N -4.20 4.12 -2.00 6.13 5.03 -1.26 -4.90 115.26 118.17 2hgq n ASN 85 Ca 0.12 -3.46 -0.02 0.00 0.87 0.00 0.00 54.58 52.09 2hgq n ASN 85 Cb 0.52 -0.73 -0.02 0.00 -1.02 0.00 0.00 39.78 38.52 2hgq n ASN 85 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2hgq n PRO 86 N 0.83 0.52 -2.11 3.52 -0.04 -1.26 -4.46 135.00 132.00 2hgq n PRO 86 Ca 0.30 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2hgq n PRO 86 Cb 0.40 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2hgq n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgq n GLU 87 N 2.20 0.03 -1.53 0.54 -0.58 -1.26 -5.03 120.64 115.01 2hgq n GLU 87 Ca 0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 56.69 2hgq n GLU 87 Cb 0.25 0.17 -0.00 0.00 -0.57 0.00 0.00 31.44 31.29 2hgq n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgq n GLY 88 N -0.12 0.97 0.00 0.62 0.00 -1.26 -4.95 105.19 100.45 2hgq n GLY 88 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2hgq n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hgq n ASP 89 N 0.04 0.00 -3.92 1.61 4.64 -1.26 -4.19 116.55 113.47 2hgq n ASP 89 Ca -0.09 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.20 2hgq n ASP 89 Cb 0.92 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.87 2hgq n ASP 89 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 2hgq s THR 90 N -0.16 0.13 0.02 5.18 -1.32 -0.24 -4.98 115.64 114.26 2hgq s THR 90 Ca 0.00 -0.26 -0.05 0.00 -1.21 0.00 0.00 61.69 60.17 2hgq s THR 90 Cb 0.00 -0.15 -0.02 0.00 -1.51 0.00 0.00 72.50 70.82 2hgq s THR 90 CO 0.00 -0.08 -0.09 0.55 -2.21 0.00 0.00 174.62 172.78 2hgq n VAL 91 N 2.71 1.24 0.00 5.08 3.14 -1.26 -1.90 118.33 127.34 2hgq n VAL 91 Ca -0.15 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 2hgq n VAL 91 Cb 0.58 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 2hgq n VAL 91 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2hgq n THR 92 N -3.70 0.00 0.00 1.55 -1.04 -1.26 -4.53 114.28 105.30 2hgq n THR 92 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2hgq n THR 92 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2hgq n THR 92 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2hgq n VAL 93 N -0.55 0.00 0.00 12.58 0.24 -1.26 -2.25 118.33 127.08 2hgq n VAL 93 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hgq n VAL 93 Cb 0.00 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 2hgq n VAL 93 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hgq n GLU 94 N -0.80 0.00 -0.01 7.34 -0.58 -1.26 -4.72 120.64 120.61 2hgq n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2hgq n GLU 94 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2hgq n GLU 94 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2hgq n ILE 95 N -1.54 -0.02 -3.95 -3.67 -0.00 -0.96 -2.08 119.36 107.15 2hgq n ILE 95 Ca 0.00 0.08 -0.33 0.00 -0.00 0.00 0.00 62.75 62.50 2hgq n ILE 95 Cb 0.00 -0.11 -0.14 0.00 -0.00 0.00 0.00 39.64 39.39 2hgq n ILE 95 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 2hgq s PHE 96 N -5.04 3.66 0.29 1.39 2.99 -1.14 -4.95 117.98 115.17 2hgq s PHE 96 Ca -0.00 -2.73 -0.29 0.00 0.00 0.00 0.00 56.93 53.90 2hgq s PHE 96 Cb 0.01 -2.90 -0.10 0.00 0.00 0.00 0.00 43.02 40.03 2hgq s PHE 96 CO 0.03 -0.94 1.21 0.21 -0.00 0.00 0.00 175.22 175.72 2hgq s LYS 97 N 1.00 4.50 0.73 0.44 2.47 -0.88 -4.82 119.74 123.17 2hgq s LYS 97 Ca 0.08 2.00 -0.06 0.00 -1.56 0.00 0.00 55.97 56.42 2hgq s LYS 97 Cb -0.20 -3.15 0.09 0.00 -1.46 0.00 0.00 37.83 33.11 2hgq s LYS 97 CO -0.06 -0.01 1.03 -1.25 0.16 0.00 0.00 175.35 175.22 2hgq s PRO 98 N -1.39 1.93 -0.51 4.03 0.04 -1.26 -4.15 135.00 133.69 2hgq s PRO 98 Ca 0.48 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.04 2hgq s PRO 98 Cb -0.35 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2hgq s PRO 98 CO 0.45 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2hgq n GLY 99 N -2.97 0.75 3.53 0.56 0.00 -1.25 -4.97 105.19 100.85 2hgq n GLY 99 Ca 0.10 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 2hgq n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hgq s GLU 100 N -2.20 1.80 0.02 1.61 2.02 -1.26 -5.02 118.70 115.66 2hgq s GLU 100 Ca 0.00 -1.86 0.01 0.00 0.02 0.00 0.00 54.97 53.14 2hgq s GLU 100 Cb 0.00 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 2hgq s GLU 100 CO 0.00 0.21 0.06 1.03 0.02 0.00 0.00 175.26 176.58 2hgq s ARG 101 N -3.58 2.96 0.25 1.61 1.81 -1.26 -1.19 118.95 119.55 2hgq s ARG 101 Ca 0.32 -0.57 0.01 0.00 -1.72 0.00 0.00 55.73 53.77 2hgq s ARG 101 Cb -0.00 -2.78 -0.05 0.00 -0.45 0.00 0.00 34.95 31.67 2hgq s ARG 101 CO 0.16 0.62 0.12 0.54 -0.68 0.00 0.00 175.30 176.06 2hgq s VAL 102 N -1.22 0.38 0.05 3.52 0.11 -0.08 -4.89 120.40 118.27 2hgq s VAL 102 Ca 0.24 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.33 2hgq s VAL 102 Cb -0.12 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 2hgq s VAL 102 CO 0.15 0.00 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.99 2hgq s ASP 103 N -3.29 1.44 0.11 3.54 1.01 -0.26 -0.54 116.67 118.68 2hgq s ASP 103 Ca 0.38 -0.53 -0.26 0.00 0.71 0.00 0.00 52.55 52.85 2hgq s ASP 103 Cb 0.07 -0.05 0.07 0.00 1.01 0.00 0.00 42.92 44.03 2hgq s ASP 103 CO 0.14 -0.06 0.89 -0.69 0.21 0.00 0.00 175.17 175.66 2hgq s VAL 104 N -1.10 0.00 0.35 -1.27 1.01 -0.49 -0.75 120.40 118.15 2hgq s VAL 104 Ca -0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2hgq s VAL 104 Cb -0.09 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.77 2hgq s VAL 104 CO 0.01 0.00 0.63 1.07 0.00 0.00 0.00 175.10 176.82 2hgq n THR 105 N -0.38 0.00 -3.98 3.92 5.66 -0.02 -0.56 114.28 118.92 2hgq n THR 105 Ca -0.08 -1.16 0.02 0.00 -3.05 0.00 0.00 64.05 59.78 2hgq n THR 105 Cb 0.61 0.95 0.01 0.00 -1.55 0.00 0.00 70.33 70.35 2hgq n THR 105 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hgq n GLY 106 N -0.51 0.30 3.68 1.09 0.00 -0.09 -0.88 105.19 108.78 2hgq n GLY 106 Ca -0.05 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 2hgq n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hgq n THR 107 N -0.69 3.65 -3.76 2.61 -1.04 -0.74 -1.38 114.28 112.93 2hgq n THR 107 Ca 0.04 -0.40 -0.37 0.00 -2.04 0.00 0.00 64.05 61.27 2hgq n THR 107 Cb 0.43 -1.30 -0.13 0.00 -1.82 0.00 0.00 70.33 67.51 2hgq n THR 107 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2hgq s SER 108 N -1.60 5.13 0.16 8.00 0.01 0.33 -2.94 113.70 122.79 2hgq s SER 108 Ca 0.78 -0.76 -0.21 0.00 1.31 0.00 0.00 55.95 57.07 2hgq s SER 108 Cb -0.35 -1.88 -0.13 0.00 0.21 0.00 0.00 66.02 63.87 2hgq s SER 108 CO 0.46 -0.21 0.37 0.29 0.41 0.00 0.00 173.24 174.56 2hgq n LYS 109 N 4.86 0.00 -2.90 12.44 5.02 -1.26 -3.84 118.16 132.48 2hgq n LYS 109 Ca -0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.71 2hgq n LYS 109 Cb 0.48 -0.76 -0.03 0.00 -0.02 0.00 0.00 35.03 34.69 2hgq n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2hgq s GLY 110 N -0.76 1.61 0.00 0.72 0.00 -0.97 -4.60 107.32 103.33 2hgq s GLY 110 Ca 0.48 -2.23 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2hgq s GLY 110 CO 0.43 2.01 0.00 0.54 0.00 0.00 0.00 173.10 176.08 2hgq n ARG 111 N 7.17 0.00 0.00 2.90 3.00 -1.20 -4.64 116.66 123.89 2hgq n ARG 111 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 2hgq n ARG 111 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 2hgq n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgq n GLY 112 N 0.00 3.91 1.01 -0.13 0.00 -1.26 -4.76 105.19 103.96 2hgq n GLY 112 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.76 2hgq n GLY 112 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hgq n PHE 113 N 0.00 0.00 -2.60 1.61 3.01 -1.26 -1.74 117.46 116.48 2hgq n PHE 113 Ca 0.00 -0.51 -0.43 0.00 1.01 0.00 0.00 57.45 57.53 2hgq n PHE 113 Cb 0.00 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 2hgq n PHE 113 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgq s ALA 114 N -0.57 3.62 0.66 4.37 0.00 -1.25 0.29 121.76 128.87 2hgq s ALA 114 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2hgq s ALA 114 Cb 0.27 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2hgq s ALA 114 CO -0.10 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2hgq n GLY 115 N 3.56 -2.05 0.64 0.00 0.00 -1.26 -1.84 105.19 104.25 2hgq n GLY 115 Ca 0.12 -0.67 0.47 0.00 0.00 0.00 0.00 46.02 45.95 2hgq n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgq n VAL 116 N -0.07 0.00 0.00 1.61 0.31 -1.26 0.18 118.33 119.10 2hgq n VAL 116 Ca 0.00 1.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.69 2hgq n VAL 116 Cb 0.00 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 30.66 2hgq n VAL 116 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2hgq n MET 117 N -3.70 0.00 0.00 5.55 2.00 -1.26 -4.03 117.12 115.68 2hgq n MET 117 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.09 2hgq n MET 117 Cb 1.83 -0.26 0.00 0.00 0.00 0.00 0.00 33.22 34.79 2hgq n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2hgq n LYS 118 N 0.00 2.36 0.00 0.03 0.00 0.48 -4.09 118.16 116.95 2hgq n LYS 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2hgq n LYS 118 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgq n LYS 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2hgq n ARG 119 N 0.00 0.00 -3.30 1.64 0.00 -0.76 -4.56 116.66 109.68 2hgq n ARG 119 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 2hgq n ARG 119 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 2hgq n ARG 119 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2hgq n TRP 120 N 0.00 -1.47 0.00 -0.14 4.27 -1.26 -5.04 117.44 113.80 2hgq n TRP 120 Ca 0.00 -2.11 0.00 0.00 -3.89 0.00 0.00 57.50 51.50 2hgq n TRP 120 Cb 0.00 -0.47 0.00 0.00 -1.36 0.00 0.00 31.31 29.48 2hgq n TRP 120 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2hgq n ASN 121 N -2.10 0.00 0.00 -0.67 4.05 -1.26 -4.74 115.26 110.54 2hgq n ASN 121 Ca 0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.10 2hgq n ASN 121 Cb 0.58 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.59 2hgq n ASN 121 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2hgq n PHE 122 N 0.00 0.00 -2.04 1.20 3.01 -1.26 -4.61 117.46 113.76 2hgq n PHE 122 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 2hgq n PHE 122 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 2hgq n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgq s ALA 123 N 0.00 2.95 0.00 4.37 0.00 -1.26 -4.62 121.76 123.20 2hgq s ALA 123 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2hgq s ALA 123 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2hgq s ALA 123 CO 0.00 -2.50 0.00 0.41 0.00 0.00 0.00 175.76 173.67 2hgq n GLY 124 N 5.29 0.32 0.00 0.00 0.00 -1.26 -4.86 105.19 104.68 2hgq n GLY 124 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2hgq n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 125 N 0.00 1.62 3.73 -0.02 0.00 -1.13 -4.72 105.19 104.67 2hgq n GLY 125 Ca 0.00 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 2hgq n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgq s PRO 126 N 3.51 2.15 -0.15 1.61 0.04 0.35 -4.46 135.00 138.06 2hgq s PRO 126 Ca 0.00 -2.35 -0.06 0.00 0.04 0.00 0.00 61.00 58.62 2hgq s PRO 126 Cb 0.00 -1.49 0.06 0.00 0.04 0.00 0.00 34.50 33.12 2hgq s PRO 126 CO 0.00 -0.33 0.32 0.34 0.04 0.00 0.00 177.00 177.37 2hgq s ASP 127 N -3.84 -0.07 0.00 6.66 3.68 -1.25 -2.08 116.67 119.76 2hgq s ASP 127 Ca 0.10 0.72 0.00 0.00 2.13 0.00 0.00 52.55 55.50 2hgq s ASP 127 Cb 0.03 0.78 0.00 0.00 -1.45 0.00 0.00 42.92 42.28 2hgq s ASP 127 CO 0.05 -0.21 0.00 -1.54 0.13 0.00 0.00 175.17 173.60 2hgq n SER 128 N 4.91 0.00 0.00 -0.34 3.41 -1.26 -4.85 113.62 115.50 2hgq n SER 128 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2hgq n SER 128 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2hgq n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2hgq n HIS 129 N 0.00 0.01 -3.77 7.33 8.25 -1.26 -3.84 115.22 121.93 2hgq n HIS 129 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2hgq n HIS 129 Cb 0.00 -0.25 -0.13 0.00 1.12 0.00 0.00 29.99 30.74 2hgq n HIS 129 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2hgq s GLY 130 N -2.49 -0.14 0.00 -1.41 0.00 -1.26 -5.02 107.32 96.99 2hgq s GLY 130 Ca -0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2hgq s GLY 130 CO 0.00 0.77 0.03 0.00 0.00 0.00 0.00 173.10 173.90 2hgq n ALA 131 N 3.45 0.06 -1.54 3.20 0.00 -1.25 -4.51 120.51 119.91 2hgq n ALA 131 Ca -0.18 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 2hgq n ALA 131 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2hgq n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hgq n HIS 132 N 0.00 2.22 0.00 0.00 -0.00 -1.26 -1.00 115.22 115.18 2hgq n HIS 132 Ca 0.00 -2.79 0.00 0.00 -0.00 0.00 0.00 57.72 54.93 2hgq n HIS 132 Cb 0.27 -2.11 0.00 0.00 -0.00 0.00 0.00 29.99 28.15 2hgq n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hgq n LYS 133 N 2.64 0.00 0.00 1.57 4.76 -1.26 -5.12 118.16 120.75 2hgq n LYS 133 Ca 0.68 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2hgq n LYS 133 Cb 0.32 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 2hgq n LYS 133 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2hgq n ILE 134 N 0.00 0.00 0.00 -0.18 5.41 -0.17 -3.78 119.36 120.64 2hgq n ILE 134 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2hgq n ILE 134 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2hgq n ILE 134 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2hgq n HIS 135 N 0.36 0.00 -4.40 1.39 -0.00 -0.88 -4.90 115.22 106.77 2hgq n HIS 135 Ca 0.00 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.95 2hgq n HIS 135 Cb 0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 29.76 2hgq n HIS 135 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2hgq s ARG 136 N 0.00 1.49 -0.02 1.57 1.04 -1.25 0.13 118.95 121.90 2hgq s ARG 136 Ca 0.00 -1.60 -0.30 0.00 -1.04 0.00 0.00 55.73 52.80 2hgq s ARG 136 Cb 0.00 -1.57 0.11 0.00 -2.04 0.00 0.00 34.95 31.45 2hgq s ARG 136 CO 0.00 0.31 1.30 -3.38 -0.04 0.00 0.00 175.30 173.49 2hgq s HIS 137 N -2.29 0.00 0.09 5.89 -3.43 -1.26 -4.63 115.29 109.67 2hgq s HIS 137 Ca 0.23 -0.10 -0.34 0.00 -0.80 0.00 0.00 55.06 54.05 2hgq s HIS 137 Cb -0.05 0.55 -0.13 0.00 -1.43 0.00 0.00 32.58 31.52 2hgq s HIS 137 CO 0.10 -0.24 1.67 -0.35 -2.00 0.00 0.00 174.74 173.92 2hgq n PRO 138 N -0.73 2.17 0.00 -0.38 -0.04 -1.26 -4.13 135.00 130.64 2hgq n PRO 138 Ca -0.02 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2hgq n PRO 138 Cb 0.61 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2hgq n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgq n GLY 139 N 3.70 -2.63 3.64 0.55 0.00 -1.26 -5.02 105.19 104.18 2hgq n GLY 139 Ca 0.19 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 2hgq n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hgq s SER 140 N -2.24 4.55 -0.11 1.61 0.15 -1.26 -5.10 113.70 111.30 2hgq s SER 140 Ca 0.00 -0.59 0.14 0.00 0.70 0.00 0.00 55.95 56.20 2hgq s SER 140 Cb 0.00 -0.86 0.27 0.00 -1.71 0.00 0.00 66.02 63.72 2hgq s SER 140 CO 0.00 0.03 1.14 2.30 1.20 0.00 0.00 173.24 177.90 2hgq n ILE 141 N -0.67 1.38 0.00 6.45 -5.35 -1.26 -5.08 119.36 114.83 2hgq n ILE 141 Ca -0.07 -1.89 0.00 0.00 -0.27 0.00 0.00 62.75 60.51 2hgq n ILE 141 Cb 0.58 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 2hgq n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hgq n GLY 142 N -0.87 0.53 0.00 3.28 0.00 -1.26 -1.76 105.19 105.12 2hgq n GLY 142 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2hgq n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hgq n ASN 143 N 0.00 0.00 -4.71 1.61 0.23 -0.49 -5.03 115.26 106.86 2hgq n ASN 143 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 2hgq n ASN 143 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 2hgq n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hgq s ARG 144 N -2.00 4.17 0.00 -3.83 1.70 -1.26 -1.04 118.95 116.69 2hgq s ARG 144 Ca 0.00 2.47 0.00 0.00 -0.47 0.00 0.00 55.73 57.73 2hgq s ARG 144 Cb 0.00 -3.24 0.00 0.00 -0.57 0.00 0.00 34.95 31.14 2hgq s ARG 144 CO 0.00 -0.70 0.00 1.63 -1.08 0.00 0.00 175.30 175.15 2hgq n LYS 145 N 4.40 -1.10 0.00 3.89 4.76 -1.26 -4.57 118.16 124.28 2hgq n LYS 145 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2hgq n LYS 145 Cb 0.38 -2.94 0.00 0.00 -1.84 0.00 0.00 35.03 30.62 2hgq n LYS 145 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2hgq n THR 146 N -0.57 0.00 0.93 -0.18 -1.04 -1.24 -4.17 114.28 108.00 2hgq n THR 146 Ca 0.00 0.40 0.10 0.00 -2.04 0.00 0.00 64.05 62.51 2hgq n THR 146 Cb 0.00 -1.17 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 2hgq n THR 146 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2hgq n PRO 147 N -1.65 0.05 -2.28 -2.82 -0.04 -1.26 -4.96 135.00 122.05 2hgq n PRO 147 Ca 0.00 -0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 2hgq n PRO 147 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 2hgq n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgq n GLY 148 N 1.48 -0.30 0.00 0.55 0.00 -1.22 -4.97 105.19 100.74 2hgq n GLY 148 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2hgq n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgq n ARG 149 N -1.96 0.00 -3.66 1.61 -4.01 -0.21 -4.74 116.66 103.69 2hgq n ARG 149 Ca -0.02 0.00 -0.36 0.00 -1.04 0.00 0.00 57.85 56.43 2hgq n ARG 149 Cb 0.54 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.88 2hgq n ARG 149 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2hgq s VAL 150 N -3.52 5.37 0.00 8.89 1.01 -1.26 -1.40 120.40 129.49 2hgq s VAL 150 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2hgq s VAL 150 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2hgq s VAL 150 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.52 2hgq n TYR 151 N 3.57 -0.93 -0.76 5.22 -0.00 -0.72 -5.03 117.16 118.51 2hgq n TYR 151 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.76 2hgq n TYR 151 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 2hgq n TYR 151 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2hgq n LYS 152 N -0.31 0.00 -0.86 2.98 -0.00 -1.26 -5.02 118.16 113.69 2hgq n LYS 152 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 2hgq n LYS 152 Cb 0.00 -0.38 -0.05 0.00 -0.00 0.00 0.00 35.03 34.60 2hgq n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgq n GLY 153 N 0.00 0.37 3.89 2.58 0.00 -1.26 -5.13 105.19 105.64 2hgq n GLY 153 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2hgq n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hgq s LYS 154 N 0.00 3.71 0.99 1.61 0.00 -1.26 -5.03 119.74 119.76 2hgq s LYS 154 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 55.97 56.10 2hgq s LYS 154 Cb 0.00 -2.45 -0.16 0.00 0.00 0.00 0.00 37.83 35.22 2hgq s LYS 154 CO 0.00 0.01 -0.94 1.63 0.00 0.00 0.00 175.35 176.05 2hgq n LYS 155 N -1.33 0.00 -3.58 1.78 4.76 -1.26 -5.00 118.16 113.53 2hgq n LYS 155 Ca 0.01 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.29 2hgq n LYS 155 Cb 0.54 -0.99 -0.07 0.00 -1.84 0.00 0.00 35.03 32.68 2hgq n LYS 155 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2hgq s MET 156 N -1.97 0.95 0.87 1.97 1.75 -1.26 -5.05 119.30 116.55 2hgq s MET 156 Ca 0.39 0.40 -0.19 0.00 -1.25 0.00 0.00 55.69 55.03 2hgq s MET 156 Cb -0.13 0.45 -0.12 0.00 2.84 0.00 0.00 34.83 37.87 2hgq s MET 156 CO 0.79 -0.25 -1.00 0.00 -0.65 0.00 0.00 175.02 173.91 2hgq n ALA 157 N 1.44 -2.56 -0.16 4.11 0.00 -1.26 -4.89 120.51 117.20 2hgq n ALA 157 Ca -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2hgq n ALA 157 Cb 0.56 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2hgq n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 158 N 3.26 -1.62 1.57 0.00 0.00 0.15 -4.83 105.19 103.71 2hgq n GLY 158 Ca -0.01 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 2hgq n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hgq n HIS 159 N -0.19 0.61 -2.72 1.61 -0.00 -0.78 -3.96 115.22 109.78 2hgq n HIS 159 Ca 0.00 0.40 -0.08 0.00 -0.00 0.00 0.00 57.72 58.04 2hgq n HIS 159 Cb 0.00 -1.06 0.10 0.00 -0.00 0.00 0.00 29.99 29.03 2hgq n HIS 159 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2hgq n TYR 160 N 3.09 -2.49 0.00 1.57 4.02 -0.71 -4.94 117.16 117.69 2hgq n TYR 160 Ca 0.23 -2.07 0.00 0.00 -0.01 0.00 0.00 57.90 56.05 2hgq n TYR 160 Cb -0.02 1.53 0.00 0.00 -0.02 0.00 0.00 39.34 40.83 2hgq n TYR 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hgq n GLY 161 N -0.17 0.02 2.91 2.72 0.00 -1.26 -4.11 105.19 105.30 2hgq n GLY 161 Ca 0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2hgq n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq n ALA 162 N -0.68 5.16 -3.02 4.61 0.00 -1.26 -2.29 120.51 123.02 2hgq n ALA 162 Ca 0.00 -3.99 -0.00 0.00 0.00 0.00 0.00 53.44 49.44 2hgq n ALA 162 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 19.45 16.05 2hgq n ALA 162 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2hgq n GLU 163 N 5.87 0.02 -4.07 0.00 0.00 -1.25 -5.06 120.64 116.15 2hgq n GLU 163 Ca 0.48 -0.07 -0.11 0.00 0.00 0.00 0.00 57.16 57.47 2hgq n GLU 163 Cb 0.39 0.06 -0.11 0.00 0.00 0.00 0.00 31.44 31.79 2hgq n GLU 163 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2hgq s ARG 164 N -2.02 0.54 0.09 3.44 3.00 -1.26 -0.52 118.95 122.23 2hgq s ARG 164 Ca 0.01 -0.90 -0.21 0.00 -1.00 0.00 0.00 55.73 53.63 2hgq s ARG 164 Cb -0.00 -0.10 0.07 0.00 0.00 0.00 0.00 34.95 34.92 2hgq s ARG 164 CO 0.01 -0.01 0.97 0.28 0.00 0.00 0.00 175.30 176.55 2hgq n VAL 165 N 1.01 0.00 -4.28 7.11 0.31 -0.48 -4.81 118.33 117.19 2hgq n VAL 165 Ca -0.20 -0.36 -0.15 0.00 -0.01 0.00 0.00 64.34 63.62 2hgq n VAL 165 Cb 0.57 0.61 -0.10 0.00 -0.91 0.00 0.00 33.84 34.00 2hgq n VAL 165 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2hgq s THR 166 N -2.09 0.38 -0.02 2.52 -1.32 -1.26 -0.92 115.64 112.93 2hgq s THR 166 Ca 0.22 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.77 2hgq s THR 166 Cb -0.02 -2.59 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 2hgq s THR 166 CO 0.03 0.00 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.52 2hgq s VAL 167 N -3.86 1.81 0.00 5.08 1.01 0.27 -4.97 120.40 119.74 2hgq s VAL 167 Ca 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2hgq s VAL 167 Cb 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2hgq s VAL 167 CO 0.13 0.51 0.00 0.23 0.00 0.00 0.00 175.10 175.98 2hgq n MET 168 N 2.54 2.74 -1.48 2.72 2.81 -1.26 -1.39 117.12 123.79 2hgq n MET 168 Ca -0.16 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.37 2hgq n MET 168 Cb 0.52 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.11 2hgq n MET 168 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2hgq n ASN 169 N 0.00 0.88 -3.87 7.83 4.05 -1.26 -3.77 115.26 119.12 2hgq n ASN 169 Ca 0.00 0.73 -0.07 0.00 0.45 0.00 0.00 54.58 55.68 2hgq n ASN 169 Cb 0.00 -1.44 -0.02 0.00 1.23 0.00 0.00 39.78 39.55 2hgq n ASN 169 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 2hgq s LEU 170 N -3.23 -0.17 -0.13 1.20 2.34 0.30 -4.93 118.68 114.06 2hgq s LEU 170 Ca 0.76 -0.66 -0.06 0.00 0.06 0.00 0.00 54.13 54.22 2hgq s LEU 170 Cb -0.37 2.58 -0.04 0.00 -0.56 0.00 0.00 46.19 47.81 2hgq s LEU 170 CO 0.47 -1.32 0.11 -0.70 -1.06 0.00 0.00 176.35 173.85 2hgq s GLU 171 N -3.92 3.48 0.03 1.48 -6.30 -1.24 -0.90 118.70 111.34 2hgq s GLU 171 Ca 0.13 -0.21 0.20 0.00 -2.50 0.00 0.00 54.97 52.59 2hgq s GLU 171 Cb -0.05 -3.15 0.83 0.00 0.00 0.00 0.00 34.13 31.77 2hgq s GLU 171 CO 0.07 0.67 1.63 1.33 0.02 0.00 0.00 175.26 178.99 2hgq n VAL 172 N 2.30 0.69 0.00 3.70 0.24 -0.33 -4.32 118.33 120.61 2hgq n VAL 172 Ca -0.19 0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2hgq n VAL 172 Cb 0.54 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 2hgq n VAL 172 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2hgq n VAL 173 N -1.61 0.00 -3.88 3.34 3.14 -1.24 -4.55 118.33 113.54 2hgq n VAL 173 Ca 0.04 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.31 2hgq n VAL 173 Cb 0.23 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.91 2hgq n VAL 173 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2hgq s ASP 174 N -1.66 0.03 -0.22 6.55 2.15 -0.26 -3.78 116.67 119.48 2hgq s ASP 174 Ca 0.00 -0.18 -0.04 0.00 0.43 0.00 0.00 52.55 52.77 2hgq s ASP 174 Cb 0.00 0.20 -0.01 0.00 -0.30 0.00 0.00 42.92 42.82 2hgq s ASP 174 CO 0.00 -0.32 -0.05 0.68 -0.17 0.00 0.00 175.17 175.31 2hgq s VAL 175 N -1.21 3.33 -0.58 1.11 -7.23 -1.26 -0.96 120.40 113.60 2hgq s VAL 175 Ca -0.13 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 2hgq s VAL 175 Cb -0.07 -2.51 0.15 0.00 0.56 0.00 0.00 36.38 34.51 2hgq s VAL 175 CO 0.01 0.43 0.39 -0.51 -0.31 0.00 0.00 175.10 175.12 2hgq s ILE 176 N 1.43 3.70 0.55 -0.62 -1.16 -0.09 -4.95 121.20 120.06 2hgq s ILE 176 Ca 0.05 -2.70 0.24 0.00 -0.51 0.00 0.00 60.65 57.73 2hgq s ILE 176 Cb -0.14 -3.43 0.34 0.00 0.61 0.00 0.00 42.46 39.84 2hgq s ILE 176 CO -0.03 -0.84 2.10 1.55 -2.81 0.00 0.00 174.94 174.91 2hgq h PRO 177 N 7.33 0.00 0.00 3.50 0.13 -1.84 -1.32 132.00 139.80 2hgq h PRO 177 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2hgq h PRO 177 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2hgq h PRO 177 CO 0.72 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 2hgq n GLU 178 N -4.21 0.00 -1.53 0.86 4.71 -1.26 -4.27 120.64 114.94 2hgq n GLU 178 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.78 2hgq n GLU 178 Cb 0.32 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.68 2hgq n GLU 178 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2hgq n GLU 179 N 0.00 0.77 -1.28 3.49 -0.58 -1.26 -4.58 120.64 117.20 2hgq n GLU 179 Ca 0.00 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.69 2hgq n GLU 179 Cb 0.00 -2.80 -0.08 0.00 -0.57 0.00 0.00 31.44 27.99 2hgq n GLU 179 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2hgq n ASN 180 N 13.77 -0.70 -4.11 1.62 5.03 -1.25 -4.72 115.26 124.90 2hgq n ASN 180 Ca 0.46 -1.56 -0.11 0.00 0.87 0.00 0.00 54.58 54.23 2hgq n ASN 180 Cb 0.37 -0.98 -0.11 0.00 -1.02 0.00 0.00 39.78 38.04 2hgq n ASN 180 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2hgq s LEU 181 N 5.97 2.40 -0.08 3.41 1.43 -0.50 -1.12 118.68 130.19 2hgq s LEU 181 Ca 0.51 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2hgq s LEU 181 Cb -0.16 -0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.01 2hgq s LEU 181 CO 0.15 -0.37 0.20 -0.22 0.23 0.00 0.00 176.35 176.35 2hgq s LEU 182 N -2.39 1.05 -0.20 1.79 0.20 0.01 -0.91 118.68 118.23 2hgq s LEU 182 Ca 0.02 0.42 -0.11 0.00 0.69 0.00 0.00 54.13 55.14 2hgq s LEU 182 Cb -0.01 0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 46.37 2hgq s LEU 182 CO -0.03 -0.09 0.18 -0.76 -0.29 0.00 0.00 176.35 175.36 2hgq s LEU 183 N 0.40 4.19 0.00 -0.68 2.01 -0.14 -0.68 118.68 123.78 2hgq s LEU 183 Ca -0.02 0.27 0.00 0.00 0.01 0.00 0.00 54.13 54.39 2hgq s LEU 183 Cb -0.04 -2.17 0.00 0.00 0.01 0.00 0.00 46.19 43.99 2hgq s LEU 183 CO -0.02 0.12 0.18 1.33 1.01 0.00 0.00 176.35 178.97 2hgq n VAL 184 N 3.75 0.00 -2.94 -1.59 0.24 -0.29 -1.11 118.33 116.39 2hgq n VAL 184 Ca -0.15 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 2hgq n VAL 184 Cb 0.52 1.65 0.01 0.00 -1.47 0.00 0.00 33.84 34.55 2hgq n VAL 184 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2hgq n LYS 185 N -0.00 -2.46 -4.09 7.34 0.00 -1.26 -3.61 118.16 114.08 2hgq n LYS 185 Ca 0.00 2.11 -0.10 0.00 0.00 0.00 0.00 58.31 60.32 2hgq n LYS 185 Cb 0.16 -4.78 -0.10 0.00 0.00 0.00 0.00 35.03 30.30 2hgq n LYS 185 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2hgq s GLY 186 N -2.10 0.53 0.00 3.14 0.00 -1.26 -4.25 107.32 103.37 2hgq s GLY 186 Ca 0.19 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2hgq s GLY 186 CO 0.74 -1.16 0.10 0.00 0.00 0.00 0.00 173.10 172.79 2hgq n ALA 187 N 0.57 1.39 -3.03 3.20 0.00 -1.26 -4.70 120.51 116.67 2hgq n ALA 187 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2hgq n ALA 187 Cb 0.59 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 2hgq n ALA 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgq n VAL 188 N 0.63 -0.27 -1.34 0.00 0.31 -1.26 -4.45 118.33 111.93 2hgq n VAL 188 Ca 0.00 -0.14 -0.61 0.00 -0.01 0.00 0.00 64.34 63.59 2hgq n VAL 188 Cb 0.05 -0.32 -0.11 0.00 -0.91 0.00 0.00 33.84 32.55 2hgq n VAL 188 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2hgq n PRO 189 N -2.20 0.08 -0.48 5.55 -0.04 -1.26 -4.40 135.00 132.24 2hgq n PRO 189 Ca -0.08 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2hgq n PRO 189 Cb 0.24 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 2hgq n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgq n GLY 190 N 6.88 -2.18 0.00 0.55 0.00 -1.15 -4.36 105.19 104.92 2hgq n GLY 190 Ca 0.50 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2hgq n GLY 190 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgq n PRO 191 N -3.11 2.26 -3.50 1.61 -0.02 -1.25 -4.74 135.00 126.24 2hgq n PRO 191 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 2hgq n PRO 191 Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.69 2hgq n PRO 191 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hgq s ASN 192 N -1.70 -0.38 -1.16 2.55 4.22 -1.26 -4.91 114.94 112.30 2hgq s ASN 192 Ca 0.00 -0.01 -0.04 0.00 -2.14 0.00 0.00 52.86 50.67 2hgq s ASN 192 Cb 0.00 0.41 -0.03 0.00 1.28 0.00 0.00 41.25 42.91 2hgq s ASN 192 CO 0.00 -0.66 0.90 0.61 -2.04 0.00 0.00 177.10 175.91 2hgq n GLY 193 N -0.26 -0.70 0.00 0.45 0.00 0.58 -4.92 105.19 100.34 2hgq n GLY 193 Ca -0.09 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2hgq n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 194 N -1.29 1.51 3.47 -0.02 0.00 -0.30 -4.97 105.19 103.59 2hgq n GLY 194 Ca -0.19 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2hgq n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hgq s LEU 195 N 0.00 2.99 0.23 0.99 1.98 -1.26 -0.86 118.68 122.75 2hgq s LEU 195 Ca 0.00 -0.18 -0.09 0.00 -2.89 0.00 0.00 54.13 50.97 2hgq s LEU 195 Cb 0.00 -1.68 -0.02 0.00 0.66 0.00 0.00 46.19 45.16 2hgq s LEU 195 CO 0.00 0.23 0.36 -0.69 -1.89 0.00 0.00 176.35 174.36 2hgq s VAL 196 N -0.01 0.00 0.07 1.68 1.01 -0.23 -1.80 120.40 121.12 2hgq s VAL 196 Ca -0.01 -1.61 -0.14 0.00 0.00 0.00 0.00 61.98 60.22 2hgq s VAL 196 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2hgq s VAL 196 CO 0.03 0.00 0.33 0.27 0.00 0.00 0.00 175.10 175.73 2hgq s ILE 197 N -4.06 0.09 0.06 2.22 -5.25 -0.06 -1.07 121.20 113.12 2hgq s ILE 197 Ca 0.28 -0.71 0.06 0.00 -0.99 0.00 0.00 60.65 59.29 2hgq s ILE 197 Cb 0.02 -1.08 -0.03 0.00 2.95 0.00 0.00 42.46 44.33 2hgq s ILE 197 CO 0.10 -0.39 -0.16 -0.69 -1.79 0.00 0.00 174.94 172.01 2hgq s VAL 198 N -3.12 1.30 0.05 8.37 1.01 -0.10 -0.84 120.40 127.07 2hgq s VAL 198 Ca -0.01 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 2hgq s VAL 198 Cb 0.01 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2hgq s VAL 198 CO -0.07 -0.01 0.24 -0.13 0.00 0.00 0.00 175.10 175.13 2hgq s ARG 199 N -1.38 0.78 -0.26 2.72 3.00 0.07 -0.65 118.95 123.23 2hgq s ARG 199 Ca 0.03 -0.64 0.01 0.00 0.00 0.00 0.00 55.73 55.13 2hgq s ARG 199 Cb -0.09 0.33 0.07 0.00 0.00 0.00 0.00 34.95 35.26 2hgq s ARG 199 CO 0.02 -0.24 -0.03 -1.21 0.00 0.00 0.00 175.30 173.84 2hgq s GLU 200 N -2.82 1.57 -0.02 3.54 0.41 -0.28 -1.10 118.70 120.00 2hgq s GLU 200 Ca -0.03 -1.15 0.01 0.00 -0.41 0.00 0.00 54.97 53.39 2hgq s GLU 200 Cb 0.00 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.72 2hgq s GLU 200 CO -0.05 -0.68 -0.04 0.99 -0.49 0.00 0.00 175.26 174.99 2hgq s THR 201 N 1.32 0.44 0.00 3.63 2.01 -1.26 -4.88 115.64 116.89 2hgq s THR 201 Ca -0.02 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2hgq s THR 201 Cb -0.19 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2hgq s THR 201 CO -0.08 0.17 0.00 2.29 -0.69 0.00 0.00 174.62 176.31 2hgq n LYS 202 N 3.56 0.00 0.00 4.92 0.00 -1.26 -4.84 118.16 120.54 2hgq n LYS 202 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 2hgq n LYS 202 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 2hgq n LYS 202 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2hgq n LYS 203 N 0.00 0.63 -1.58 -1.58 0.00 -1.26 -4.83 118.16 109.54 2hgq n LYS 203 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 58.31 57.85 2hgq n LYS 203 Cb 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 35.03 33.75 2hgq n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hgq n ALA 204 N 0.48 1.37 -1.47 3.14 0.00 -1.26 -4.89 120.51 117.88 2hgq n ALA 204 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 2hgq n ALA 204 Cb 0.25 -2.70 -0.06 0.00 0.00 0.00 0.00 19.45 16.94 2hgq n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgq n ALA 205 N 9.72 6.92 -0.26 0.00 0.00 -1.26 -5.30 120.51 130.33 2hgq n ALA 205 Ca 0.31 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.50 2hgq n ALA 205 Cb 0.35 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.02 2hgq n ALA 205 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67