#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqg n PRO 7 N 0.00 0.14 -5.21 1.64 -0.02 -1.26 -4.46 135.00 125.84 1hqg n PRO 7 Ca 0.00 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.30 1hqg n PRO 7 Cb 0.00 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 30.91 1hqg n PRO 7 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1hqg s ILE 8 N -2.15 1.96 -0.18 4.25 1.01 0.93 -0.35 121.20 126.67 1hqg s ILE 8 Ca 0.73 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1hqg s ILE 8 Cb -0.29 -1.65 0.04 0.00 0.01 0.00 0.00 42.46 40.57 1hqg s ILE 8 CO 0.52 0.55 -0.06 -0.70 0.00 0.00 0.00 174.94 175.24 1hqg s GLU 9 N -0.20 1.59 -0.08 2.79 2.12 -0.01 -0.23 118.70 124.69 1hqg s GLU 9 Ca -0.02 -0.64 -0.28 0.00 0.36 0.00 0.00 54.97 54.40 1hqg s GLU 9 Cb -0.13 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 1hqg s GLU 9 CO 0.03 -0.45 0.90 0.42 -0.54 0.00 0.00 175.26 175.62 1hqg s ILE 10 N 1.56 4.88 -0.20 -3.70 1.01 0.37 -1.42 121.20 123.70 1hqg s ILE 10 Ca -0.00 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.50 1hqg s ILE 10 Cb -0.16 -4.23 0.05 0.00 0.01 0.00 0.00 42.46 38.13 1hqg s ILE 10 CO -0.08 0.10 -0.09 -0.63 0.00 0.00 0.00 174.94 174.25 1hqg s ILE 11 N 1.51 1.57 0.10 2.92 1.01 0.38 -0.07 121.20 128.63 1hqg s ILE 11 Ca 0.45 -1.01 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 1hqg s ILE 11 Cb -0.19 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 1hqg s ILE 11 CO 0.20 0.12 0.87 -0.83 0.00 0.00 0.00 174.94 175.29 1hqg s GLY 12 N 1.42 2.93 -0.56 6.18 0.00 -0.24 -1.27 107.32 115.78 1hqg s GLY 12 Ca -0.02 0.45 0.06 0.00 0.00 0.00 0.00 44.72 45.22 1hqg s GLY 12 CO -0.08 1.24 0.62 0.00 0.00 0.00 0.00 173.10 174.89 1hqg n ALA 13 N 2.55 3.44 -2.20 3.20 0.00 0.39 -1.08 120.51 126.82 1hqg n ALA 13 Ca -0.01 -4.24 -0.32 0.00 0.00 0.00 0.00 53.44 48.88 1hqg n ALA 13 Cb 0.49 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1hqg n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hqg s PRO 14 N -1.81 2.88 -0.01 0.00 0.04 -1.26 -3.53 135.00 131.31 1hqg s PRO 14 Ca 0.36 -1.25 0.02 0.00 0.04 0.00 0.00 61.00 60.17 1hqg s PRO 14 Cb 0.12 -5.29 -0.00 0.00 0.04 0.00 0.00 34.50 29.37 1hqg s PRO 14 CO -0.07 -3.45 -0.07 0.12 0.04 0.00 0.00 177.00 173.56 1hqg s PHE 15 N 9.14 0.69 0.00 0.56 5.36 -1.26 -4.83 117.98 127.63 1hqg s PHE 15 Ca 0.64 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1hqg s PHE 15 Cb -0.00 -0.48 0.00 0.00 -0.34 0.00 0.00 43.02 42.20 1hqg s PHE 15 CO 0.09 -0.05 0.54 -1.13 -1.46 0.00 0.00 175.22 173.22 1hqg n SER 16 N 3.12 0.47 0.22 6.13 3.41 -1.26 -1.57 113.62 124.14 1hqg n SER 16 Ca -0.16 -1.21 0.15 0.00 -0.26 0.00 0.00 58.87 57.39 1hqg n SER 16 Cb 0.56 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.20 1hqg n SER 16 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1hqg h LYS 17 N 0.00 0.00 0.00 4.33 6.56 -1.96 -1.41 116.57 124.10 1hqg h LYS 17 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1hqg h LYS 17 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1hqg h LYS 17 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 1hqg n GLY 18 N -0.37 -1.10 3.55 3.86 0.00 -1.26 -4.73 105.19 105.15 1hqg n GLY 18 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1hqg n GLY 18 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqg s GLN 19 N -2.85 1.93 0.18 1.61 -0.21 -0.53 -2.18 119.66 117.60 1hqg s GLN 19 Ca 0.13 -1.69 0.01 0.00 0.02 0.00 0.00 55.36 53.83 1hqg s GLN 19 Cb 0.13 -1.90 0.05 0.00 1.00 0.00 0.00 33.01 32.29 1hqg s GLN 19 CO 0.34 0.28 1.41 -1.00 -2.12 0.00 0.00 175.29 174.21 1hqg h PRO 20 N 2.06 0.28 -6.20 2.91 0.13 -1.86 -3.46 132.00 125.86 1hqg h PRO 20 Ca -0.42 -0.26 -0.53 0.00 -0.87 0.00 0.00 66.00 63.92 1hqg h PRO 20 Cb 1.25 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1hqg h PRO 20 CO 0.62 0.94 -0.58 1.03 -0.23 0.00 0.00 178.00 179.78 1hqg s ARG 21 N -3.41 2.63 0.62 0.86 0.52 -1.26 -5.13 118.95 113.78 1hqg s ARG 21 Ca -0.04 -1.21 0.06 0.00 -0.52 0.00 0.00 55.73 54.02 1hqg s ARG 21 Cb 0.10 -2.38 0.10 0.00 0.52 0.00 0.00 34.95 33.29 1hqg s ARG 21 CO 0.83 0.39 0.86 0.20 0.02 0.00 0.00 175.30 177.59 1hqg s GLY 22 N -3.72 1.75 0.00 -3.53 0.00 -1.26 -4.78 107.32 95.78 1hqg s GLY 22 Ca 0.32 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1hqg s GLY 22 CO 0.22 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.44 1hqg n GLY 23 N -2.44 2.88 0.16 0.20 0.00 -1.26 -4.94 105.19 99.79 1hqg n GLY 23 Ca 0.15 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.31 1hqg n GLY 23 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hqg h VAL 24 N 0.00 0.00 0.00 1.61 3.04 -1.86 -1.64 116.25 117.40 1hqg h VAL 24 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1hqg h VAL 24 Cb 0.00 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1hqg h VAL 24 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.57 177.61 1hqg h GLU 25 N 0.00 0.00 -0.01 4.17 9.09 -1.88 -0.61 114.58 125.34 1hqg h GLU 25 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hqg h GLU 25 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1hqg h GLU 25 CO 0.00 0.00 -0.04 1.63 0.05 0.00 0.00 179.01 180.65 1hqg n LYS 26 N -2.34 1.21 0.03 1.06 5.02 -0.62 -4.26 118.16 118.26 1hqg n LYS 26 Ca 0.02 -0.48 -0.11 0.00 -2.02 0.00 0.00 58.31 55.72 1hqg n LYS 26 Cb 0.26 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1hqg n LYS 26 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1hqg h GLY 27 N 4.93 -0.03 0.56 0.72 0.00 -1.39 -2.07 103.07 105.79 1hqg h GLY 27 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1hqg h GLY 27 CO 0.00 -0.08 0.36 -2.55 0.00 0.00 0.00 176.54 174.27 1hqg h PRO 28 N -0.10 0.61 -0.22 4.80 0.11 -1.72 -0.85 132.00 134.62 1hqg h PRO 28 Ca 0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1hqg h PRO 28 Cb 0.16 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1hqg h PRO 28 CO -0.10 0.40 0.14 0.00 -0.21 0.00 0.00 178.00 178.23 1hqg h ALA 29 N 1.39 0.28 -0.80 -0.75 0.00 -1.80 -1.00 119.26 116.58 1hqg h ALA 29 Ca 0.32 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.24 1hqg h ALA 29 Cb 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1hqg h ALA 29 CO -0.23 -0.22 0.51 0.00 0.00 0.00 0.00 179.25 179.30 1hqg h ALA 30 N 1.06 1.05 -0.54 0.00 0.00 -0.78 0.60 119.26 120.65 1hqg h ALA 30 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1hqg h ALA 30 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1hqg h ALA 30 CO -0.02 0.33 0.13 -0.07 0.00 0.00 0.00 179.25 179.62 1hqg h LEU 31 N 0.99 0.83 -0.57 0.00 3.38 -0.85 -2.49 115.31 116.61 1hqg h LEU 31 Ca 0.32 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1hqg h LEU 31 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1hqg h LEU 31 CO -0.11 0.85 -0.30 0.03 0.09 0.00 0.00 178.44 179.00 1hqg h ARG 32 N 0.77 0.82 -0.69 1.13 3.08 -0.77 -2.75 114.38 115.97 1hqg h ARG 32 Ca 0.17 -0.38 0.11 0.00 0.07 0.00 0.00 59.98 59.95 1hqg h ARG 32 Cb 0.35 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1hqg h ARG 32 CO 0.00 1.01 0.46 1.57 -1.07 0.00 0.00 179.97 181.95 1hqg h LYS 33 N 0.70 0.50 0.00 0.04 2.10 -0.68 0.21 116.57 119.43 1hqg h LYS 33 Ca 0.08 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1hqg h LYS 33 Cb 0.85 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1hqg h LYS 33 CO 0.07 0.33 0.00 0.00 -2.00 0.00 0.00 179.45 177.85 1hqg n ALA 34 N -2.50 2.61 -1.76 0.07 0.00 -0.96 -4.89 120.51 113.09 1hqg n ALA 34 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1hqg n ALA 34 Cb 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1hqg n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqg n GLY 35 N 0.84 0.41 0.22 0.00 0.00 0.72 -4.98 105.19 102.40 1hqg n GLY 35 Ca 0.19 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1hqg n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hqg h LEU 36 N 0.00 -0.54 -0.11 0.99 5.85 -1.64 -0.32 115.31 119.54 1hqg h LEU 36 Ca 0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1hqg h LEU 36 Cb 0.79 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1hqg h LEU 36 CO 0.00 -0.23 -0.11 0.58 -0.34 0.00 0.00 178.44 178.34 1hqg h VAL 37 N -0.24 0.69 -0.70 1.05 2.07 -1.85 0.15 116.25 117.43 1hqg h VAL 37 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1hqg h VAL 37 Cb 0.36 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1hqg h VAL 37 CO -0.24 0.00 0.46 -0.33 0.02 0.00 0.00 177.57 177.48 1hqg h GLU 38 N -0.13 0.91 -0.50 1.57 3.07 -1.89 -2.16 114.58 115.45 1hqg h GLU 38 Ca 0.08 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 1hqg h GLU 38 Cb 0.25 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1hqg h GLU 38 CO -0.19 0.60 -0.03 0.87 -1.40 0.00 0.00 179.01 178.86 1hqg h LYS 39 N 0.93 0.86 -0.15 2.33 1.57 -0.68 -2.50 116.57 118.92 1hqg h LYS 39 Ca 0.26 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1hqg h LYS 39 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1hqg h LYS 39 CO -0.07 0.88 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.47 1hqg h LEU 40 N 0.79 0.22 -0.47 2.94 3.38 -0.52 -1.81 115.31 119.85 1hqg h LEU 40 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1hqg h LEU 40 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1hqg h LEU 40 CO 0.03 0.40 0.00 0.29 0.09 0.00 0.00 178.44 179.24 1hqg n LYS 41 N -4.26 0.11 0.00 1.13 5.02 -0.85 -1.48 118.16 117.82 1hqg n LYS 41 Ca -0.01 0.39 0.13 0.00 -2.02 0.00 0.00 58.31 56.80 1hqg n LYS 41 Cb 0.28 -1.72 0.41 0.00 -0.02 0.00 0.00 35.03 33.98 1hqg n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1hqg n GLU 42 N -1.93 0.15 -0.87 1.97 1.02 -0.68 -4.86 120.64 115.45 1hqg n GLU 42 Ca 0.02 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 1hqg n GLU 42 Cb 0.18 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.18 1hqg n GLU 42 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1hqg n THR 43 N -1.37 0.00 1.59 2.62 -2.24 -0.55 -4.95 114.28 109.38 1hqg n THR 43 Ca 0.08 -0.44 0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1hqg n THR 43 Cb 0.33 -1.75 0.81 0.00 -2.10 0.00 0.00 70.33 67.63 1hqg n THR 43 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1hqg n GLU 44 N -2.20 0.59 -3.65 -0.78 0.28 -1.26 -4.87 120.64 108.76 1hqg n GLU 44 Ca 0.07 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.78 1hqg n GLU 44 Cb 0.25 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.58 1hqg n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1hqg s TYR 45 N -2.41 3.48 -0.14 -1.84 1.51 -1.26 -4.94 117.35 111.75 1hqg s TYR 45 Ca 0.34 0.48 -0.22 0.00 -1.01 0.00 0.00 57.07 56.66 1hqg s TYR 45 Cb 0.21 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 1hqg s TYR 45 CO 0.43 0.39 0.67 1.21 -1.11 0.00 0.00 175.55 177.14 1hqg s ASN 46 N -2.78 6.84 -0.09 2.29 3.84 -1.26 -4.77 114.94 119.00 1hqg s ASN 46 Ca 0.40 1.01 0.01 0.00 0.21 0.00 0.00 52.86 54.49 1hqg s ASN 46 Cb -0.12 -2.38 -0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1hqg s ASN 46 CO 0.27 -0.21 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.58 1hqg s VAL 47 N 1.42 3.35 -0.03 -5.21 1.01 -1.26 -0.05 120.40 119.63 1hqg s VAL 47 Ca 0.33 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1hqg s VAL 47 Cb -0.17 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 1hqg s VAL 47 CO 0.13 0.56 -0.15 -0.60 0.00 0.00 0.00 175.10 175.05 1hqg s ARG 48 N -0.31 1.44 -0.31 2.72 3.52 0.69 -4.96 118.95 121.74 1hqg s ARG 48 Ca 0.03 -0.51 -0.09 0.00 -0.13 0.00 0.00 55.73 55.03 1hqg s ARG 48 Cb -0.13 -1.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.97 1hqg s ARG 48 CO 0.03 0.23 0.14 0.34 -0.81 0.00 0.00 175.30 175.22 1hqg s ASP 49 N -0.01 5.45 0.36 -2.12 -1.08 -1.26 -0.48 116.67 117.53 1hqg s ASP 49 Ca -0.01 -0.62 0.26 0.00 -0.52 0.00 0.00 52.55 51.66 1hqg s ASP 49 Cb -0.09 -1.97 0.83 0.00 -1.46 0.00 0.00 42.92 40.22 1hqg s ASP 49 CO 0.01 -0.21 1.76 -0.74 0.52 0.00 0.00 175.17 176.51 1hqg h HIS 50 N 8.32 0.00 0.00 -5.34 -0.00 -0.83 -3.47 115.15 113.83 1hqg h HIS 50 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 1hqg h HIS 50 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1hqg h HIS 50 CO 0.63 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.97 1hqg n GLY 51 N 0.72 -1.84 3.74 5.26 0.00 -1.25 -4.91 105.19 106.91 1hqg n GLY 51 Ca 0.03 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1hqg n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hqg s ASP 52 N -3.99 6.06 0.48 1.61 1.01 -1.26 -1.08 116.67 119.50 1hqg s ASP 52 Ca 0.00 0.24 -0.23 0.00 0.71 0.00 0.00 52.55 53.28 1hqg s ASP 52 Cb 0.00 -2.02 -0.07 0.00 1.01 0.00 0.00 42.92 41.84 1hqg s ASP 52 CO 0.00 0.24 1.21 -0.76 0.21 0.00 0.00 175.17 176.07 1hqg s LEU 53 N -0.01 3.98 -0.28 1.23 1.43 -0.24 -4.92 118.68 119.87 1hqg s LEU 53 Ca 0.09 2.42 -0.10 0.00 -1.03 0.00 0.00 54.13 55.50 1hqg s LEU 53 Cb -0.12 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 1hqg s LEU 53 CO 0.00 -1.07 0.17 0.00 0.23 0.00 0.00 176.35 175.68 1hqg s ALA 54 N -1.48 3.43 -0.16 4.21 0.00 -1.26 -4.59 121.76 121.91 1hqg s ALA 54 Ca 0.65 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1hqg s ALA 54 Cb -0.32 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1hqg s ALA 54 CO 0.38 -0.60 0.11 -0.06 0.00 0.00 0.00 175.76 175.59 1hqg s PHE 55 N 1.72 3.41 -0.36 0.00 0.08 -1.26 -5.07 117.98 116.50 1hqg s PHE 55 Ca 0.07 0.32 -0.20 0.00 0.12 0.00 0.00 56.93 57.24 1hqg s PHE 55 Cb -0.16 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 1hqg s PHE 55 CO 0.09 0.41 0.63 0.14 -0.10 0.00 0.00 175.22 176.39 1hqg s VAL 56 N -0.14 4.88 -0.03 -0.44 -7.23 -1.26 -5.02 120.40 111.16 1hqg s VAL 56 Ca 0.09 0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 60.50 1hqg s VAL 56 Cb -0.12 -4.09 -0.06 0.00 0.56 0.00 0.00 36.38 32.68 1hqg s VAL 56 CO 0.01 -0.34 1.57 -1.81 -0.31 0.00 0.00 175.10 174.21 1hqg s ASP 57 N 1.81 6.72 -0.20 4.85 1.11 -1.26 -4.89 116.67 124.82 1hqg s ASP 57 Ca 0.24 2.21 -0.29 0.00 0.18 0.00 0.00 52.55 54.89 1hqg s ASP 57 Cb -0.14 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.28 1hqg s ASP 57 CO 0.15 -0.86 1.39 -0.69 1.18 0.00 0.00 175.17 176.34 1hqg s VAL 58 N 3.41 4.04 0.50 -1.27 1.01 -1.26 -4.98 120.40 121.84 1hqg s VAL 58 Ca 0.70 1.22 -0.23 0.00 0.00 0.00 0.00 61.98 63.67 1hqg s VAL 58 Cb -0.33 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1hqg s VAL 58 CO 0.28 -0.24 1.39 -2.16 0.00 0.00 0.00 175.10 174.37 1hqg s PRO 59 N 3.97 3.39 -1.40 2.72 0.04 -1.26 -3.17 135.00 139.30 1hqg s PRO 59 Ca 0.61 2.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.94 1hqg s PRO 59 Cb -0.23 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1hqg s PRO 59 CO 0.22 -1.02 0.42 -1.71 0.04 0.00 0.00 177.00 174.94 1hqg n ASN 60 N -0.66 -0.54 -3.86 6.66 5.15 -1.26 -4.82 115.26 115.93 1hqg n ASN 60 Ca 0.08 -1.03 -0.42 0.00 -0.60 0.00 0.00 54.58 52.61 1hqg n ASN 60 Cb 0.44 -2.97 0.00 0.00 -0.53 0.00 0.00 39.78 36.72 1hqg n ASN 60 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1hqg n ASP 61 N -2.95 4.29 -4.75 1.20 2.03 -1.19 -4.97 116.55 110.20 1hqg n ASP 61 Ca -0.30 -2.91 -0.35 0.00 0.52 0.00 0.00 54.79 51.75 1hqg n ASP 61 Cb 0.68 -1.62 0.04 0.00 -0.72 0.00 0.00 41.12 39.50 1hqg n ASP 61 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1hqg s SER 62 N 2.75 5.07 0.26 1.67 1.04 -1.26 -4.31 113.70 118.92 1hqg s SER 62 Ca 0.46 2.28 -0.31 0.00 0.48 0.00 0.00 55.95 58.86 1hqg s SER 62 Cb 0.12 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.53 1hqg s SER 62 CO -0.05 -1.67 1.65 -2.84 0.98 0.00 0.00 173.24 171.31 1hqg s PRO 63 N -3.56 4.12 -0.63 4.02 0.02 -1.26 -4.67 135.00 133.03 1hqg s PRO 63 Ca 0.74 2.60 -0.20 0.00 0.02 0.00 0.00 61.00 64.16 1hqg s PRO 63 Cb -0.27 -3.04 0.09 0.00 0.02 0.00 0.00 34.50 31.30 1hqg s PRO 63 CO 0.36 -0.68 0.82 0.12 -0.33 0.00 0.00 177.00 177.28 1hqg s PHE 64 N 0.43 2.87 0.00 6.54 5.36 -0.32 -4.84 117.98 128.02 1hqg s PHE 64 Ca 0.68 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1hqg s PHE 64 Cb -0.49 -4.13 0.00 0.00 -0.34 0.00 0.00 43.02 38.06 1hqg s PHE 64 CO 0.42 -1.44 0.00 1.04 -1.46 0.00 0.00 175.22 173.78 1hqg n GLN 65 N 6.87 0.00 0.08 10.12 6.02 -1.26 -1.31 117.38 137.91 1hqg n GLN 65 Ca -0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.99 1hqg n GLN 65 Cb 0.44 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.67 1hqg n GLN 65 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1hqg h ILE 66 N 0.00 0.21 -2.86 5.09 2.10 -1.88 -3.47 117.51 116.70 1hqg h ILE 66 Ca 0.00 -1.41 -0.52 0.00 1.08 0.00 0.00 64.86 64.01 1hqg h ILE 66 Cb 0.00 1.74 0.05 0.00 -1.09 0.00 0.00 36.82 37.53 1hqg h ILE 66 CO 0.00 0.12 0.92 -0.69 -1.08 0.00 0.00 178.15 177.42 1hqg s VAL 67 N -3.18 2.33 0.01 2.19 1.01 -0.43 -4.32 120.40 118.01 1hqg s VAL 67 Ca -0.01 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1hqg s VAL 67 Cb 0.09 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1hqg s VAL 67 CO 0.79 0.02 0.18 -0.54 0.00 0.00 0.00 175.10 175.56 1hqg s LYS 68 N 0.86 3.41 -1.73 2.72 1.02 -0.50 -1.17 119.74 124.35 1hqg s LYS 68 Ca 0.70 -0.37 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 1hqg s LYS 68 Cb -0.46 -3.06 0.15 0.00 -0.52 0.00 0.00 37.83 33.93 1hqg s LYS 68 CO 0.34 0.66 0.54 0.09 -0.92 0.00 0.00 175.35 176.06 1hqg n ASN 69 N 0.79 -1.70 -0.15 2.83 3.02 -1.26 -4.64 115.26 114.15 1hqg n ASN 69 Ca -0.09 -1.15 -0.04 0.00 -0.03 0.00 0.00 54.58 53.26 1hqg n ASN 69 Cb 0.52 -2.11 0.05 0.00 -0.61 0.00 0.00 39.78 37.63 1hqg n ASN 69 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1hqg h PRO 70 N -1.32 0.34 -0.41 3.52 0.13 -1.83 -1.17 132.00 131.26 1hqg h PRO 70 Ca -0.61 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.37 1hqg h PRO 70 Cb 1.39 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1hqg h PRO 70 CO 0.80 0.23 -0.25 0.00 -0.23 0.00 0.00 178.00 178.55 1hqg h ARG 71 N 0.36 0.85 -0.29 0.86 3.08 -1.88 0.29 114.38 117.64 1hqg h ARG 71 Ca 0.22 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1hqg h ARG 71 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1hqg h ARG 71 CO -0.22 1.01 -0.04 0.77 -1.07 0.00 0.00 179.97 180.42 1hqg h SER 72 N 0.73 0.53 -0.33 7.04 0.02 -1.83 -0.63 113.55 119.08 1hqg h SER 72 Ca 0.09 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 1hqg h SER 72 Cb 0.80 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1hqg h SER 72 CO 0.07 0.75 -0.01 0.58 -1.14 0.00 0.00 176.83 177.08 1hqg h VAL 73 N 0.31 1.26 -0.75 2.27 2.07 -1.16 -1.67 116.25 118.58 1hqg h VAL 73 Ca 0.08 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1hqg h VAL 73 Cb 0.50 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1hqg h VAL 73 CO 0.02 0.32 0.36 1.23 0.02 0.00 0.00 177.57 179.52 1hqg h GLY 74 N 0.38 1.15 0.91 2.17 0.00 -0.89 -2.05 103.07 104.75 1hqg h GLY 74 Ca 0.09 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1hqg h GLY 74 CO 0.02 0.54 -0.24 1.70 0.00 0.00 0.00 176.54 178.55 1hqg h LYS 75 N 1.07 0.61 -0.77 4.80 1.63 -1.01 -1.89 116.57 121.00 1hqg h LYS 75 Ca 0.26 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1hqg h LYS 75 Cb 0.12 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1hqg h LYS 75 CO -0.03 0.92 0.49 0.00 -3.45 0.00 0.00 179.45 177.38 1hqg h ALA 76 N 0.68 0.98 -0.01 5.00 0.00 -1.16 -2.06 119.26 122.69 1hqg h ALA 76 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1hqg h ALA 76 Cb 0.80 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1hqg h ALA 76 CO 0.06 0.41 -0.56 -0.91 0.00 0.00 0.00 179.25 178.26 1hqg h ASN 77 N 1.05 0.02 -0.44 0.00 2.35 -1.34 -1.33 115.58 115.89 1hqg h ASN 77 Ca 0.28 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1hqg h ASN 77 Cb -0.09 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1hqg h ASN 77 CO -0.06 0.58 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.10 1hqg h GLU 78 N 0.01 0.85 -0.39 0.81 4.81 -0.93 -0.29 114.58 119.47 1hqg h GLU 78 Ca -0.01 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1hqg h GLU 78 Cb 0.99 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1hqg h GLU 78 CO 0.07 0.97 0.05 0.37 -0.73 0.00 0.00 179.01 179.74 1hqg h GLN 79 N 0.68 0.65 -0.49 1.92 4.15 -1.19 -2.30 115.11 118.53 1hqg h GLN 79 Ca 0.11 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1hqg h GLN 79 Cb 0.66 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1hqg h GLN 79 CO 0.05 0.71 0.22 1.25 -1.93 0.00 0.00 178.83 179.13 1hqg h LEU 80 N 0.49 0.65 -0.91 -2.39 5.85 -1.14 -2.08 115.31 115.78 1hqg h LEU 80 Ca 0.12 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1hqg h LEU 80 Cb 0.39 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1hqg h LEU 80 CO 0.01 0.62 0.57 0.00 -0.34 0.00 0.00 178.44 179.30 1hqg h ALA 81 N 1.06 1.28 -0.23 1.25 0.00 -0.93 0.12 119.26 121.81 1hqg h ALA 81 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1hqg h ALA 81 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hqg h ALA 81 CO -0.02 0.30 0.09 0.00 0.00 0.00 0.00 179.25 179.62 1hqg h ALA 82 N 1.44 0.30 -0.38 0.00 0.00 -1.08 0.75 119.26 120.29 1hqg h ALA 82 Ca 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1hqg h ALA 82 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hqg h ALA 82 CO -0.19 -0.10 0.21 0.28 0.00 0.00 0.00 179.25 179.45 1hqg h VAL 83 N 0.23 1.15 -0.34 0.00 2.07 -0.68 -2.24 116.25 116.43 1hqg h VAL 83 Ca 0.08 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1hqg h VAL 83 Cb 0.18 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1hqg h VAL 83 CO -0.01 0.15 0.08 0.58 0.02 0.00 0.00 177.57 178.40 1hqg h VAL 84 N 0.49 1.22 -0.76 2.57 2.07 -0.66 -2.23 116.25 118.95 1hqg h VAL 84 Ca 0.13 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 67.01 1hqg h VAL 84 Cb 0.06 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1hqg h VAL 84 CO -0.02 0.25 0.39 0.00 0.02 0.00 0.00 177.57 178.22 1hqg h ALA 85 N 0.92 1.08 -0.10 1.67 0.00 -0.71 0.11 119.26 122.23 1hqg h ALA 85 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1hqg h ALA 85 Cb 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hqg h ALA 85 CO 0.00 -0.03 0.04 1.49 0.00 0.00 0.00 179.25 180.75 1hqg h GLU 86 N 0.64 0.16 -0.79 0.00 4.57 -1.18 0.11 114.58 118.08 1hqg h GLU 86 Ca 0.38 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.49 1hqg h GLU 86 Cb 0.43 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 1hqg h GLU 86 CO -0.29 0.29 0.32 1.79 -1.18 0.00 0.00 179.01 179.95 1hqg h THR 87 N -0.00 1.26 -0.76 0.32 1.35 -0.96 -2.04 112.91 112.08 1hqg h THR 87 Ca 0.03 -0.81 -0.04 0.00 -0.55 0.00 0.00 66.41 65.05 1hqg h THR 87 Cb 0.19 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 1hqg h THR 87 CO -0.00 0.33 0.33 1.56 -0.25 0.00 0.00 175.52 177.49 1hqg h GLN 88 N 1.15 1.12 -0.96 4.72 1.08 -0.80 -2.48 115.11 118.94 1hqg h GLN 88 Ca 0.27 -0.19 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 1hqg h GLN 88 Cb 0.20 -0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1hqg h GLN 88 CO -0.02 0.90 0.62 -0.22 -0.95 0.00 0.00 178.83 179.16 1hqg h LYS 89 N 1.09 1.08 0.00 1.46 3.64 -0.10 -0.03 116.57 123.72 1hqg h LYS 89 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1hqg h LYS 89 Cb 0.18 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1hqg h LYS 89 CO -0.03 0.72 0.00 0.09 -2.27 0.00 0.00 179.45 177.96 1hqg n ASN 90 N -4.50 0.00 -0.95 4.20 5.03 -0.91 -4.87 115.26 113.27 1hqg n ASN 90 Ca 0.15 -1.82 -0.08 0.00 0.87 0.00 0.00 54.58 53.70 1hqg n ASN 90 Cb 0.19 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1hqg n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hqg n GLY 91 N 0.46 0.06 3.57 7.41 0.00 -0.02 -5.04 105.19 111.63 1hqg n GLY 91 Ca 0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 1hqg n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hqg s THR 92 N -2.44 3.18 -0.19 2.61 -4.23 -0.97 -4.42 115.64 109.19 1hqg s THR 92 Ca 0.01 -1.61 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 1hqg s THR 92 Cb -0.01 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1hqg s THR 92 CO 0.01 -0.08 0.88 -0.63 -0.54 0.00 0.00 174.62 174.27 1hqg s ILE 93 N -1.63 4.83 0.07 2.99 1.01 0.52 -4.16 121.20 124.85 1hqg s ILE 93 Ca 0.24 1.72 -0.23 0.00 0.00 0.00 0.00 60.65 62.38 1hqg s ILE 93 Cb -0.09 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1hqg s ILE 93 CO 0.15 -0.03 0.69 -0.94 0.00 0.00 0.00 174.94 174.81 1hqg s SER 94 N 1.20 7.18 -0.29 3.58 1.04 -1.18 -0.83 113.70 124.41 1hqg s SER 94 Ca 0.39 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1hqg s SER 94 Cb -0.16 -2.43 0.09 0.00 0.10 0.00 0.00 66.02 63.61 1hqg s SER 94 CO 0.11 0.14 0.04 -0.69 0.98 0.00 0.00 173.24 173.82 1hqg s VAL 95 N -0.58 1.33 -0.19 5.02 1.01 -0.51 -0.80 120.40 125.68 1hqg s VAL 95 Ca 0.34 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 1hqg s VAL 95 Cb -0.21 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1hqg s VAL 95 CO 0.22 -0.46 0.49 -0.69 0.00 0.00 0.00 175.10 174.66 1hqg s VAL 96 N 1.42 5.13 -0.32 2.92 1.01 0.13 -0.47 120.40 130.23 1hqg s VAL 96 Ca 0.05 0.91 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 1hqg s VAL 96 Cb -0.18 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1hqg s VAL 96 CO -0.15 0.21 0.21 -0.76 0.00 0.00 0.00 175.10 174.61 1hqg s LEU 97 N 1.44 4.32 0.73 3.92 1.43 -0.39 -1.03 118.68 129.09 1hqg s LEU 97 Ca 0.23 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1hqg s LEU 97 Cb -0.15 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.06 1hqg s LEU 97 CO 0.09 -0.19 1.03 -0.83 0.23 0.00 0.00 176.35 176.68 1hqg s GLY 98 N 1.70 1.73 0.00 -3.19 0.00 -0.01 -0.46 107.32 107.08 1hqg s GLY 98 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1hqg s GLY 98 CO 0.09 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.14 1hqg n GLY 99 N -2.96 -1.15 3.87 0.20 0.00 -0.34 -3.19 105.19 101.62 1hqg n GLY 99 Ca 0.10 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 1hqg n GLY 99 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hqg s ASP 100 N -1.92 6.16 0.00 1.61 1.47 -0.61 -1.99 116.67 121.40 1hqg s ASP 100 Ca 0.00 1.35 0.04 0.00 1.18 0.00 0.00 52.55 55.12 1hqg s ASP 100 Cb 0.00 -2.40 0.19 0.00 -0.34 0.00 0.00 42.92 40.37 1hqg s ASP 100 CO 0.00 -0.89 1.00 1.57 0.68 0.00 0.00 175.17 177.54 1hqg n HIS 101 N -2.73 0.00 0.29 2.11 -0.00 -1.26 -2.14 115.22 111.49 1hqg n HIS 101 Ca 0.06 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.94 1hqg n HIS 101 Cb 0.54 -0.35 0.84 0.00 -0.00 0.00 0.00 29.99 31.02 1hqg n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1hqg h SER 102 N 0.00 0.00 0.31 0.26 4.64 -1.92 -1.73 113.55 115.11 1hqg h SER 102 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hqg h SER 102 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1hqg h SER 102 CO 0.00 0.05 0.00 0.23 -0.87 0.00 0.00 176.83 176.24 1hqg n MET 103 N -3.31 0.14 0.24 4.77 2.81 -0.91 -1.92 117.12 118.94 1hqg n MET 103 Ca -0.01 0.19 0.11 0.00 -1.81 0.00 0.00 57.70 56.18 1hqg n MET 103 Cb 0.22 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.79 1hqg n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hqg h ALA 104 N 2.59 1.10 0.17 3.04 0.00 -1.56 -1.64 119.26 122.95 1hqg h ALA 104 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1hqg h ALA 104 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1hqg h ALA 104 CO 0.00 0.23 -0.08 0.82 0.00 0.00 0.00 179.25 180.22 1hqg h ILE 105 N 0.00 0.83 -0.28 0.00 2.04 -1.60 0.38 117.51 118.88 1hqg h ILE 105 Ca -0.00 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 1hqg h ILE 105 Cb 0.60 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1hqg h ILE 105 CO 0.02 0.00 -0.34 1.23 0.00 0.00 0.00 178.15 179.07 1hqg h GLY 106 N -0.23 0.79 0.88 5.37 0.00 -1.67 -1.35 103.07 106.86 1hqg h GLY 106 Ca -0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 1hqg h GLY 106 CO 0.03 0.76 -0.29 0.23 0.00 0.00 0.00 176.54 177.27 1hqg h SER 107 N 0.46 -0.72 -0.51 0.19 0.87 -1.20 -0.34 113.55 112.30 1hqg h SER 107 Ca 0.04 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 1hqg h SER 107 Cb 0.92 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1hqg h SER 107 CO 0.08 -0.46 -0.10 0.40 -0.53 0.00 0.00 176.83 176.22 1hqg h ILE 108 N -0.73 1.27 -0.21 2.23 2.04 -1.00 -1.95 117.51 119.15 1hqg h ILE 108 Ca -0.06 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.57 1hqg h ILE 108 Cb 0.59 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1hqg h ILE 108 CO 0.06 0.44 0.10 0.28 0.00 0.00 0.00 178.15 179.03 1hqg h SER 109 N 0.88 0.15 -0.26 1.72 0.02 -1.13 0.69 113.55 115.62 1hqg h SER 109 Ca 0.14 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1hqg h SER 109 Cb 0.66 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1hqg h SER 109 CO 0.05 0.12 -0.08 1.23 -1.14 0.00 0.00 176.83 177.01 1hqg h GLY 110 N 0.22 0.69 0.95 -3.77 0.00 -1.00 -2.77 103.07 97.40 1hqg h GLY 110 Ca 0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1hqg h GLY 110 CO -0.06 0.44 0.05 0.84 0.00 0.00 0.00 176.54 177.81 1hqg h HIS 111 N 0.60 0.77 0.00 5.60 6.17 -0.86 -2.85 115.15 124.58 1hqg h HIS 111 Ca 0.11 -0.12 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 1hqg h HIS 111 Cb 0.49 -0.21 -0.00 0.00 2.52 0.00 0.00 27.41 30.21 1hqg h HIS 111 CO 0.02 0.75 -0.02 0.00 0.71 0.00 0.00 177.93 179.39 1hqg h ALA 112 N 0.92 1.02 0.00 5.26 0.00 -0.69 -0.89 119.26 124.88 1hqg h ALA 112 Ca 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1hqg h ALA 112 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1hqg h ALA 112 CO 0.01 0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.07 1hqg h ARG 113 N 0.00 0.00 0.00 0.00 3.08 -1.24 -2.39 114.38 113.83 1hqg h ARG 113 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1hqg h ARG 113 Cb 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1hqg h ARG 113 CO 0.00 0.22 -2.16 0.28 -1.07 0.00 0.00 179.97 177.24 1hqg n VAL 114 N -3.67 1.16 -3.58 2.04 0.31 -0.91 -4.74 118.33 108.93 1hqg n VAL 114 Ca -0.01 -0.59 -0.27 0.00 -0.01 0.00 0.00 64.34 63.45 1hqg n VAL 114 Cb 0.34 -0.86 -0.10 0.00 -0.91 0.00 0.00 33.84 32.31 1hqg n VAL 114 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1hqg n HIS 115 N -2.83 2.13 0.26 3.52 8.25 -0.39 -4.94 115.22 121.22 1hqg n HIS 115 Ca -0.31 -3.99 0.17 0.00 -0.26 0.00 0.00 57.72 53.33 1hqg n HIS 115 Cb 0.97 -0.41 0.91 0.00 1.12 0.00 0.00 29.99 32.59 1hqg n HIS 115 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1hqg h PRO 116 N 4.91 0.00 -0.61 -0.41 0.13 -1.68 -1.95 132.00 132.39 1hqg h PRO 116 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1hqg h PRO 116 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1hqg h PRO 116 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1hqg n ASP 117 N -2.69 3.63 -4.74 1.44 5.75 -1.26 -4.96 116.55 113.71 1hqg n ASP 117 Ca -0.02 -2.26 -0.32 0.00 -0.01 0.00 0.00 54.79 52.18 1hqg n ASP 117 Cb 0.07 -0.48 0.10 0.00 -1.03 0.00 0.00 41.12 39.78 1hqg n ASP 117 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1hqg s LEU 118 N -1.40 3.16 0.29 -2.12 0.05 -0.73 -4.53 118.68 113.40 1hqg s LEU 118 Ca 0.40 2.09 0.11 0.00 0.05 0.00 0.00 54.13 56.77 1hqg s LEU 118 Cb 0.24 -4.56 -0.05 0.00 -2.05 0.00 0.00 46.19 39.77 1hqg s LEU 118 CO 0.21 -2.21 -0.15 0.00 -0.55 0.00 0.00 176.35 173.65 1hqg s VAL 120 N -2.50 1.65 -0.26 0.00 1.01 0.48 -0.62 120.40 120.16 1hqg s VAL 120 Ca 0.31 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1hqg s VAL 120 Cb -0.04 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1hqg s VAL 120 CO 0.16 0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 175.06 1hqg s ILE 121 N 0.35 3.03 -0.39 2.22 1.01 -0.46 -0.80 121.20 126.16 1hqg s ILE 121 Ca -0.14 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.43 1hqg s ILE 121 Cb -0.16 -2.56 0.07 0.00 0.01 0.00 0.00 42.46 39.82 1hqg s ILE 121 CO 0.06 0.16 0.19 0.86 0.00 0.00 0.00 174.94 176.21 1hqg s TRP 122 N 1.34 3.34 -0.33 3.97 -0.11 -0.16 -1.35 118.94 125.64 1hqg s TRP 122 Ca 0.00 -1.61 -0.16 0.00 1.22 0.00 0.00 56.10 55.55 1hqg s TRP 122 Cb -0.17 -2.74 -0.01 0.00 -1.50 0.00 0.00 33.47 29.05 1hqg s TRP 122 CO -0.03 -0.82 0.43 0.08 -4.62 0.00 0.00 176.95 171.99 1hqg s VAL 123 N 1.38 5.10 -0.10 5.86 1.01 -0.82 -1.41 120.40 131.42 1hqg s VAL 123 Ca 0.02 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1hqg s VAL 123 Cb -0.22 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.42 1hqg s VAL 123 CO 0.02 -0.09 0.99 -0.62 0.00 0.00 0.00 175.10 175.39 1hqg s ASP 124 N 1.72 -0.33 0.12 3.32 -1.08 -0.71 -0.99 116.67 118.72 1hqg s ASP 124 Ca 0.16 0.17 0.26 0.00 -0.52 0.00 0.00 52.55 52.62 1hqg s ASP 124 Cb -0.16 0.31 0.81 0.00 -1.46 0.00 0.00 42.92 42.42 1hqg s ASP 124 CO 0.12 -0.44 1.71 0.00 0.52 0.00 0.00 175.17 177.08 1hqg n ALA 125 N 0.19 2.51 -2.44 3.66 0.00 -1.26 -2.26 120.51 120.91 1hqg n ALA 125 Ca -0.08 -0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 1hqg n ALA 125 Cb 0.60 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 1hqg n ALA 125 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1hqg s HIS 126 N -3.08 2.14 -0.27 0.00 3.76 -1.26 -1.19 115.29 115.39 1hqg s HIS 126 Ca 0.11 -0.39 0.20 0.00 -0.15 0.00 0.00 55.06 54.82 1hqg s HIS 126 Cb 0.15 -1.02 0.10 0.00 1.11 0.00 0.00 32.58 32.92 1hqg s HIS 126 CO 0.61 0.50 1.28 1.79 -0.85 0.00 0.00 174.74 178.07 1hqg h THR 127 N 2.95 0.27 -6.70 1.30 1.35 -1.89 -3.47 112.91 106.73 1hqg h THR 127 Ca -0.43 -1.44 -0.54 0.00 -0.55 0.00 0.00 66.41 63.45 1hqg h THR 127 Cb 1.22 1.96 -0.19 0.00 -1.73 0.00 0.00 68.15 69.41 1hqg h THR 127 CO 0.52 0.16 -0.83 0.47 -0.25 0.00 0.00 175.52 175.59 1hqg n ASP 128 N -2.97 -3.40 -0.44 5.36 8.00 -1.26 -4.73 116.55 117.12 1hqg n ASP 128 Ca 0.00 -0.99 0.09 0.00 0.71 0.00 0.00 54.79 54.60 1hqg n ASP 128 Cb 0.63 -2.88 0.18 0.00 -0.02 0.00 0.00 41.12 39.03 1hqg n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqg n ILE 129 N -4.42 1.96 -2.20 0.53 3.06 -1.21 -1.93 119.36 115.15 1hqg n ILE 129 Ca 0.06 -1.97 -0.37 0.00 -2.50 0.00 0.00 62.75 57.97 1hqg n ILE 129 Cb 0.50 -0.17 -0.01 0.00 0.54 0.00 0.00 39.64 40.51 1hqg n ILE 129 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 1hqg s ASN 130 N -2.29 6.14 0.42 9.51 0.01 -0.86 -4.48 114.94 123.39 1hqg s ASN 130 Ca 0.34 2.38 0.08 0.00 -0.71 0.00 0.00 52.86 54.95 1hqg s ASN 130 Cb 0.28 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1hqg s ASN 130 CO 0.06 -0.94 0.51 0.42 -1.51 0.00 0.00 177.10 175.63 1hqg s THR 131 N -1.48 2.89 0.65 1.60 -4.23 -1.26 -4.24 115.64 109.56 1hqg s THR 131 Ca 0.63 -1.11 0.37 0.00 -1.18 0.00 0.00 61.69 60.40 1hqg s THR 131 Cb -0.31 -3.00 0.39 0.00 1.34 0.00 0.00 72.50 70.93 1hqg s THR 131 CO 0.37 0.00 2.21 -0.65 -0.54 0.00 0.00 174.62 176.02 1hqg h PRO 132 N 0.76 0.00 0.00 3.99 0.11 -1.95 -0.87 132.00 134.04 1hqg h PRO 132 Ca -0.40 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.42 1hqg h PRO 132 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1hqg h PRO 132 CO 0.49 0.00 -1.72 1.28 -0.21 0.00 0.00 178.00 177.84 1hqg n LEU 133 N -3.21 0.83 0.05 2.35 4.77 -1.26 -4.36 117.00 116.16 1hqg n LEU 133 Ca -0.02 0.39 0.04 0.00 -0.03 0.00 0.00 56.01 56.39 1hqg n LEU 133 Cb 0.19 0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1hqg n LEU 133 CO 0.20 0.37 -0.27 0.35 -1.33 0.00 0.00 177.39 176.72 1hqg n THR 134 N -3.01 0.93 -1.74 -5.08 -2.24 -0.76 -4.95 114.28 97.42 1hqg n THR 134 Ca -0.17 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 1hqg n THR 134 Cb 1.04 -0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1hqg n THR 134 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1hqg n THR 135 N -2.77 2.06 -0.00 4.28 5.66 -0.41 -4.87 114.28 118.23 1hqg n THR 135 Ca -0.07 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.50 1hqg n THR 135 Cb 0.74 -1.78 -0.14 0.00 -1.55 0.00 0.00 70.33 67.61 1hqg n THR 135 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1hqg n SER 136 N 0.55 0.18 -0.09 1.09 7.64 -1.26 -4.52 113.62 117.21 1hqg n SER 136 Ca 0.03 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.88 1hqg n SER 136 Cb 0.38 1.50 -0.13 0.00 -1.01 0.00 0.00 64.21 64.94 1hqg n SER 136 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1hqg n SER 137 N -2.44 0.95 0.00 6.43 3.41 -1.26 -5.00 113.62 115.72 1hqg n SER 137 Ca -0.08 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1hqg n SER 137 Cb 0.67 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1hqg n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hqg n GLY 138 N 2.01 0.88 3.71 5.00 0.00 -1.26 -4.83 105.19 110.70 1hqg n GLY 138 Ca -0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1hqg n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hqg s ASN 139 N -2.90 7.19 -0.98 1.61 0.01 -1.26 -1.41 114.94 117.21 1hqg s ASN 139 Ca 0.00 1.87 -0.07 0.00 -0.71 0.00 0.00 52.86 53.95 1hqg s ASN 139 Cb 0.00 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.03 1hqg s ASN 139 CO 0.00 -0.40 2.18 0.18 -1.51 0.00 0.00 177.10 177.55 1hqg n LEU 140 N 3.99 5.27 0.00 0.60 4.77 -0.93 -4.13 117.00 126.57 1hqg n LEU 140 Ca 0.08 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.02 1hqg n LEU 140 Cb 0.48 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1hqg n LEU 140 CO 0.54 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 1hqg n GLY 142 N 3.78 0.00 0.00 -0.72 0.00 -1.26 -3.40 105.19 103.59 1hqg n GLY 142 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1hqg n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hqg n GLN 143 N 0.00 0.12 -0.28 1.61 6.02 -1.24 -2.02 117.38 121.59 1hqg n GLN 143 Ca 0.00 -0.46 -0.10 0.00 -0.01 0.00 0.00 57.00 56.43 1hqg n GLN 143 Cb 0.00 -0.73 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 1hqg n GLN 143 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1hqg h PRO 144 N 0.00 -0.16 -0.34 -1.09 0.11 -1.53 -1.65 132.00 127.33 1hqg h PRO 144 Ca 0.00 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.19 1hqg h PRO 144 Cb 0.42 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1hqg h PRO 144 CO 0.00 -0.11 0.24 0.28 -0.21 0.00 0.00 178.00 178.20 1hqg h VAL 145 N -0.17 0.91 -0.21 3.15 2.07 -1.67 -1.71 116.25 118.62 1hqg h VAL 145 Ca 0.17 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 1hqg h VAL 145 Cb 0.53 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1hqg h VAL 145 CO -0.79 0.03 -0.11 0.00 0.02 0.00 0.00 177.57 176.72 1hqg h ALA 146 N 1.82 1.43 0.00 1.67 0.00 -1.45 -1.50 119.26 121.23 1hqg h ALA 146 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hqg h ALA 146 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hqg h ALA 146 CO -0.02 0.40 -0.02 0.74 0.00 0.00 0.00 179.25 180.34 1hqg h PHE 147 N 0.32 0.00 0.00 0.00 -1.00 -1.28 -3.34 116.94 111.64 1hqg h PHE 147 Ca 0.06 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.57 1hqg h PHE 147 Cb 0.40 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 1hqg h PHE 147 CO 0.01 0.00 -1.92 1.28 -1.61 0.00 0.00 178.31 176.07 1hqg n LEU 148 N -2.81 0.49 -4.72 1.54 4.77 -0.88 -4.35 117.00 111.04 1hqg n LEU 148 Ca 0.04 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1hqg n LEU 148 Cb 0.50 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1hqg n LEU 148 CO 0.33 0.35 0.85 -0.76 -1.33 0.00 0.00 177.39 176.83 1hqg s LEU 149 N -5.70 4.39 0.20 2.23 1.43 -0.62 -2.05 118.68 118.56 1hqg s LEU 149 Ca -0.06 1.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.93 1hqg s LEU 149 Cb 0.08 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.85 1hqg s LEU 149 CO 0.83 -0.41 1.76 0.11 0.23 0.00 0.00 176.35 178.87 1hqg h LYS 150 N 6.52 1.10 0.00 1.70 1.57 -1.49 -2.73 116.57 123.25 1hqg h LYS 150 Ca -0.42 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1hqg h LYS 150 Cb 1.21 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1hqg h LYS 150 CO 0.79 0.91 0.00 0.93 -0.57 0.00 0.00 179.45 181.50 1hqg h GLU 151 N 1.05 0.00 -0.01 3.15 3.07 -1.93 -1.96 114.58 117.95 1hqg h GLU 151 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1hqg h GLU 151 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1hqg h GLU 151 CO -0.02 0.00 -0.36 1.28 -1.40 0.00 0.00 179.01 178.51 1hqg n LEU 152 N -2.42 1.79 -4.70 1.33 4.32 -1.03 -4.90 117.00 111.39 1hqg n LEU 152 Ca 0.00 -0.62 -0.44 0.00 -0.02 0.00 0.00 56.01 54.94 1hqg n LEU 152 Cb 0.16 -0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 41.89 1hqg n LEU 152 CO 0.17 0.33 1.33 1.17 -1.22 0.00 0.00 177.39 179.17 1hqg n LYS 153 N -0.10 2.55 -0.99 3.23 4.81 -0.74 -1.33 118.16 125.58 1hqg n LYS 153 Ca 0.11 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1hqg n LYS 153 Cb 0.44 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1hqg n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hqg n GLY 154 N 3.82 0.49 0.37 3.14 0.00 -1.26 -4.87 105.19 106.88 1hqg n GLY 154 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1hqg n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hqg n LYS 155 N -2.36 1.11 -3.77 1.61 4.76 -0.45 -4.91 118.16 114.16 1hqg n LYS 155 Ca 0.00 -0.74 -0.12 0.00 -2.87 0.00 0.00 58.31 54.59 1hqg n LYS 155 Cb 0.06 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 31.69 1hqg n LYS 155 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1hqg s PHE 156 N -2.40 -0.08 0.58 2.13 -0.71 -1.26 -4.94 117.98 111.29 1hqg s PHE 156 Ca 0.25 -0.04 -0.20 0.00 -1.04 0.00 0.00 56.93 55.90 1hqg s PHE 156 Cb 0.19 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1hqg s PHE 156 CO 0.50 -0.48 1.33 -1.25 -1.34 0.00 0.00 175.22 173.98 1hqg s PRO 157 N -2.40 2.93 0.06 1.99 0.04 -1.26 -4.90 135.00 131.46 1hqg s PRO 157 Ca -0.06 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1hqg s PRO 157 Cb -0.01 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1hqg s PRO 157 CO -0.02 -1.33 1.75 -0.51 0.04 0.00 0.00 177.00 176.93 1hqg s ASP 158 N -1.12 6.54 -0.04 6.66 1.01 -1.26 -4.97 116.67 123.50 1hqg s ASP 158 Ca 0.76 2.55 -0.20 0.00 0.71 0.00 0.00 52.55 56.37 1hqg s ASP 158 Cb -0.39 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 40.93 1hqg s ASP 158 CO 0.45 -0.95 0.56 -0.69 0.21 0.00 0.00 175.17 174.74 1hqg s VAL 159 N 3.19 5.00 0.14 -1.27 1.01 -1.26 -5.02 120.40 122.19 1hqg s VAL 159 Ca 0.78 1.16 -0.34 0.00 0.00 0.00 0.00 61.98 63.58 1hqg s VAL 159 Cb -0.41 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 31.94 1hqg s VAL 159 CO 0.35 0.39 1.59 -2.65 0.00 0.00 0.00 175.10 174.78 1hqg n PRO 160 N 3.00 2.11 -0.03 2.72 -0.02 -1.26 -2.01 135.00 139.50 1hqg n PRO 160 Ca -0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1hqg n PRO 160 Cb 0.51 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1hqg n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqg n GLY 161 N 3.46 0.40 0.21 -1.23 0.00 -1.26 -3.27 105.19 103.49 1hqg n GLY 161 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1hqg n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hqg n PHE 162 N -2.00 0.17 0.31 1.61 3.01 -0.85 -4.04 117.46 115.66 1hqg n PHE 162 Ca 0.00 -0.73 0.20 0.00 1.01 0.00 0.00 57.45 57.93 1hqg n PHE 162 Cb 0.00 -0.11 0.96 0.00 -0.01 0.00 0.00 39.48 40.32 1hqg n PHE 162 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hqg h SER 163 N 0.46 0.00 1.34 4.37 4.64 -1.92 -1.29 113.55 121.15 1hqg h SER 163 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hqg h SER 163 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1hqg h SER 163 CO 0.03 0.00 0.00 4.11 -0.87 0.00 0.00 176.83 180.10 1hqg h TRP 164 N 0.00 0.00 -3.49 4.77 5.08 -1.96 -3.45 115.95 116.90 1hqg h TRP 164 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1hqg h TRP 164 Cb 0.22 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1hqg h TRP 164 CO 0.00 0.00 0.46 0.08 -1.28 0.00 0.00 178.44 177.70 1hqg s VAL 165 N -3.29 4.09 -0.19 0.12 1.01 -0.49 -5.04 120.40 116.62 1hqg s VAL 165 Ca 0.06 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1hqg s VAL 165 Cb 0.09 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1hqg s VAL 165 CO 0.56 0.25 -0.08 -0.89 0.00 0.00 0.00 175.10 174.93 1hqg s THR 166 N 0.13 1.45 -0.39 3.92 2.01 -1.26 -5.08 115.64 116.42 1hqg s THR 166 Ca 0.51 -0.89 -0.43 0.00 0.31 0.00 0.00 61.69 61.19 1hqg s THR 166 Cb -0.28 -1.57 -0.17 0.00 0.01 0.00 0.00 72.50 70.49 1hqg s THR 166 CO 0.32 0.14 1.77 -2.65 -0.69 0.00 0.00 174.62 173.51 1hqg n PRO 167 N 4.75 0.62 -0.03 4.92 -0.02 -1.26 -4.85 135.00 139.13 1hqg n PRO 167 Ca -0.14 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.59 1hqg n PRO 167 Cb 0.47 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1hqg n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hqg s ILE 169 N -2.78 2.22 0.31 0.00 -0.00 -1.13 -4.97 121.20 114.86 1hqg s ILE 169 Ca -0.06 -1.75 -0.03 0.00 -0.00 0.00 0.00 60.65 58.80 1hqg s ILE 169 Cb 0.08 -1.97 -0.05 0.00 -0.00 0.00 0.00 42.46 40.52 1hqg s ILE 169 CO 0.60 0.07 0.55 -0.55 -0.00 0.00 0.00 174.94 175.62 1hqg s SER 170 N -2.07 6.39 0.65 4.36 0.15 -1.26 -1.33 113.70 120.60 1hqg s SER 170 Ca 0.14 0.64 0.33 0.00 0.70 0.00 0.00 55.95 57.76 1hqg s SER 170 Cb -0.10 -2.11 1.80 0.00 -1.71 0.00 0.00 66.02 63.90 1hqg s SER 170 CO 0.06 -0.23 2.05 0.00 1.20 0.00 0.00 173.24 176.32 1hqg h ALA 171 N 1.41 1.43 -0.00 5.45 0.00 -1.96 0.10 119.26 125.68 1hqg h ALA 171 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1hqg h ALA 171 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hqg h ALA 171 CO 0.65 -0.29 -0.13 1.17 0.00 0.00 0.00 179.25 180.65 1hqg n LYS 172 N -3.18 0.63 -0.35 0.00 4.81 -1.26 -3.76 118.16 115.06 1hqg n LYS 172 Ca -0.01 -0.23 0.09 0.00 -0.87 0.00 0.00 58.31 57.30 1hqg n LYS 172 Cb 0.33 -1.50 0.27 0.00 0.02 0.00 0.00 35.03 34.15 1hqg n LYS 172 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1hqg n ASP 173 N -0.99 3.74 -4.18 3.14 8.00 0.35 -4.93 116.55 121.68 1hqg n ASP 173 Ca 0.14 -2.11 -0.23 0.00 0.71 0.00 0.00 54.79 53.29 1hqg n ASP 173 Cb 0.29 -0.42 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 1hqg n ASP 173 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1hqg s ILE 174 N -1.21 1.38 -0.08 0.53 2.07 -1.25 -0.39 121.20 122.26 1hqg s ILE 174 Ca 0.41 -0.96 0.01 0.00 -1.41 0.00 0.00 60.65 58.69 1hqg s ILE 174 Cb 0.23 -1.19 0.02 0.00 0.13 0.00 0.00 42.46 41.64 1hqg s ILE 174 CO 0.25 0.21 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.73 1hqg s VAL 175 N -0.66 0.85 0.03 4.00 1.01 0.02 -4.07 120.40 121.58 1hqg s VAL 175 Ca 0.05 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1hqg s VAL 175 Cb -0.08 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1hqg s VAL 175 CO 0.01 0.31 0.43 -0.31 0.00 0.00 0.00 175.10 175.54 1hqg s TYR 176 N 1.25 3.70 -0.05 5.22 2.02 -0.98 -0.98 117.35 127.53 1hqg s TYR 176 Ca -0.05 0.99 -0.01 0.00 -0.37 0.00 0.00 57.07 57.64 1hqg s TYR 176 Cb -0.14 -2.29 0.03 0.00 -0.40 0.00 0.00 41.96 39.16 1hqg s TYR 176 CO -0.02 0.60 0.01 0.42 -1.57 0.00 0.00 175.55 175.00 1hqg s ILE 177 N -1.16 0.19 0.00 2.71 1.01 -0.50 -0.55 121.20 122.90 1hqg s ILE 177 Ca 0.27 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1hqg s ILE 177 Cb -0.16 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1hqg s ILE 177 CO 0.15 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1hqg n GLY 178 N 4.81 0.77 3.60 6.18 0.00 -0.54 -1.75 105.19 118.27 1hqg n GLY 178 Ca -0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.41 1hqg n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqg n LEU 179 N 0.00 1.92 0.00 0.99 4.77 -0.96 -4.14 117.00 119.58 1hqg n LEU 179 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1hqg n LEU 179 Cb 0.00 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 1hqg n LEU 179 CO 0.00 -1.09 0.00 -2.11 -1.33 0.00 0.00 177.39 172.86 1hqg n ARG 180 N 1.86 0.00 -3.01 3.23 1.85 -0.34 -1.32 116.66 118.93 1hqg n ARG 180 Ca 0.14 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.84 1hqg n ARG 180 Cb 0.26 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.64 1hqg n ARG 180 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1hqg n ASP 181 N 0.00 -1.85 -4.45 2.89 2.03 -0.75 -5.05 116.55 109.37 1hqg n ASP 181 Ca 0.00 -2.81 -0.33 0.00 0.52 0.00 0.00 54.79 52.17 1hqg n ASP 181 Cb 0.37 0.69 -0.13 0.00 -0.72 0.00 0.00 41.12 41.33 1hqg n ASP 181 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1hqg s VAL 182 N 0.23 3.60 0.64 5.18 1.01 -1.26 -4.55 120.40 125.25 1hqg s VAL 182 Ca 0.32 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1hqg s VAL 182 Cb 0.09 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1hqg s VAL 182 CO -0.15 0.50 1.08 -1.81 0.00 0.00 0.00 175.10 174.73 1hqg s ASP 183 N 0.41 5.36 0.19 3.32 1.01 -1.26 -4.79 116.67 120.91 1hqg s ASP 183 Ca -0.06 1.89 -0.14 0.00 0.71 0.00 0.00 52.55 54.95 1hqg s ASP 183 Cb -0.15 -2.54 0.19 0.00 1.01 0.00 0.00 42.92 41.43 1hqg s ASP 183 CO 0.04 -1.46 1.66 -0.65 0.21 0.00 0.00 175.17 174.97 1hqg h PRO 184 N 0.07 0.05 -0.89 8.23 0.11 -1.99 0.25 132.00 137.83 1hqg h PRO 184 Ca -0.46 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1hqg h PRO 184 Cb 1.23 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1hqg h PRO 184 CO 0.55 0.03 0.58 0.78 -0.21 0.00 0.00 178.00 179.74 1hqg h GLY 185 N 0.05 1.29 1.06 -0.55 0.00 -1.92 0.06 103.07 103.06 1hqg h GLY 185 Ca 0.26 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1hqg h GLY 185 CO -0.49 0.40 0.07 0.83 0.00 0.00 0.00 176.54 177.35 1hqg h GLU 186 N 1.15 1.06 -0.56 4.80 5.08 -1.57 -0.72 114.58 123.82 1hqg h GLU 186 Ca 0.35 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1hqg h GLU 186 Cb -0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1hqg h GLU 186 CO -0.10 1.00 0.04 1.25 -1.00 0.00 0.00 179.01 180.20 1hqg h HIS 187 N 0.97 1.00 -0.46 4.33 2.76 -0.41 0.02 115.15 123.36 1hqg h HIS 187 Ca 0.19 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1hqg h HIS 187 Cb 0.48 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1hqg h HIS 187 CO 0.04 0.87 0.23 -0.92 -1.30 0.00 0.00 177.93 176.85 1hqg h TYR 188 N 0.87 0.65 -0.10 5.26 3.20 -0.65 -1.99 116.97 124.22 1hqg h TYR 188 Ca 0.17 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1hqg h TYR 188 Cb 0.45 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1hqg h TYR 188 CO 0.03 0.52 0.04 0.82 -1.64 0.00 0.00 178.16 177.92 1hqg h ILE 189 N 0.60 1.15 0.00 1.81 2.04 -0.55 0.10 117.51 122.66 1hqg h ILE 189 Ca 0.16 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1hqg h ILE 189 Cb 0.10 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1hqg h ILE 189 CO -0.02 0.13 -0.38 0.16 0.00 0.00 0.00 178.15 178.04 1hqg h ILE 190 N 0.00 1.27 0.03 -0.67 3.07 -0.97 0.86 117.51 121.11 1hqg h ILE 190 Ca 0.03 -1.31 -0.13 0.00 1.55 0.00 0.00 64.86 65.00 1hqg h ILE 190 Cb 0.17 1.71 0.01 0.00 -0.27 0.00 0.00 36.82 38.44 1hqg h ILE 190 CO -0.00 0.37 -0.54 0.11 -1.05 0.00 0.00 178.15 177.05 1hqg h LYS 191 N 0.00 0.30 -0.45 0.16 1.79 -1.26 -1.08 116.57 116.03 1hqg h LYS 191 Ca -0.00 -0.37 -0.05 0.00 -2.18 0.00 0.00 60.65 58.04 1hqg h LYS 191 Cb 0.68 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1hqg h LYS 191 CO 0.05 1.09 0.06 1.15 -1.08 0.00 0.00 179.45 180.72 1hqg h THR 192 N -0.31 1.22 -0.00 -0.16 2.02 -0.65 -2.41 112.91 112.61 1hqg h THR 192 Ca -0.08 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1hqg h THR 192 Cb 1.30 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1hqg h THR 192 CO 0.10 0.30 -0.20 0.18 0.37 0.00 0.00 175.52 176.27 1hqg n LEU 193 N -4.27 0.48 -2.35 2.58 4.32 0.28 -4.95 117.00 113.10 1hqg n LEU 193 Ca 0.03 0.04 -0.17 0.00 -0.02 0.00 0.00 56.01 55.90 1hqg n LEU 193 Cb 0.24 -0.24 0.03 0.00 -1.62 0.00 0.00 43.42 41.84 1hqg n LEU 193 CO 0.40 0.10 0.03 0.61 -1.22 0.00 0.00 177.39 177.31 1hqg n GLY 194 N 1.37 -0.18 3.75 -0.72 0.00 -0.85 -4.86 105.19 103.69 1hqg n GLY 194 Ca 0.11 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1hqg n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqg s ILE 195 N -3.05 3.44 0.03 -0.61 1.01 -0.47 -4.86 121.20 116.69 1hqg s ILE 195 Ca 0.26 1.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.91 1hqg s ILE 195 Cb -0.11 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1hqg s ILE 195 CO 0.32 0.25 1.02 -0.75 0.00 0.00 0.00 174.94 175.78 1hqg s LYS 196 N -0.77 4.56 0.06 2.79 2.47 -1.26 -4.88 119.74 122.71 1hqg s LYS 196 Ca 0.50 1.49 -0.14 0.00 -1.56 0.00 0.00 55.97 56.26 1hqg s LYS 196 Cb -0.33 -3.42 0.02 0.00 -1.46 0.00 0.00 37.83 32.63 1hqg s LYS 196 CO 0.40 -0.04 0.31 1.52 0.16 0.00 0.00 175.35 177.70 1hqg s TYR 197 N 0.82 -0.09 -0.43 4.03 -0.85 -1.26 -2.32 117.35 117.25 1hqg s TYR 197 Ca 0.52 -0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.99 1hqg s TYR 197 Cb -0.23 0.10 0.13 0.00 0.38 0.00 0.00 41.96 42.35 1hqg s TYR 197 CO 0.29 -0.54 0.22 -0.06 -1.52 0.00 0.00 175.55 173.94 1hqg s PHE 198 N -2.91 2.13 1.07 -3.49 0.40 0.29 -4.94 117.98 110.53 1hqg s PHE 198 Ca -0.02 -2.45 -0.17 0.00 -0.60 0.00 0.00 56.93 53.69 1hqg s PHE 198 Cb 0.00 -2.00 0.23 0.00 0.51 0.00 0.00 43.02 41.77 1hqg s PHE 198 CO -0.06 -0.79 1.18 -1.54 0.70 0.00 0.00 175.22 174.71 1hqg s SER 199 N 0.43 2.10 0.57 1.36 1.04 -1.26 -1.47 113.70 116.47 1hqg s SER 199 Ca 0.17 0.61 0.25 0.00 0.48 0.00 0.00 55.95 57.46 1hqg s SER 199 Cb -0.24 -0.88 1.59 0.00 0.10 0.00 0.00 66.02 66.59 1hqg s SER 199 CO -0.02 -3.39 2.16 0.24 0.98 0.00 0.00 173.24 173.21 1hqg h MET 200 N -2.08 0.00 -0.37 4.02 2.86 -1.41 -0.41 114.93 117.53 1hqg h MET 200 Ca -0.46 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 1hqg h MET 200 Cb 1.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 1hqg h MET 200 CO 0.42 0.00 0.20 1.15 1.06 0.00 0.00 176.91 179.73 1hqg h THR 201 N 0.00 1.15 -0.27 2.22 2.02 -1.90 0.38 112.91 116.50 1hqg h THR 201 Ca 0.05 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 1hqg h THR 201 Cb 0.24 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1hqg h THR 201 CO -0.00 0.15 -0.32 -0.33 0.37 0.00 0.00 175.52 175.39 1hqg h GLU 202 N 0.47 0.57 -0.63 6.66 3.07 -1.42 -1.56 114.58 121.74 1hqg h GLU 202 Ca 0.13 -0.25 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 1hqg h GLU 202 Cb 0.07 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1hqg h GLU 202 CO -0.02 0.82 0.12 0.28 -1.40 0.00 0.00 179.01 178.81 1hqg h VAL 203 N 0.49 1.26 -0.58 3.13 2.07 -0.99 0.97 116.25 122.60 1hqg h VAL 203 Ca 0.06 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1hqg h VAL 203 Cb 0.80 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1hqg h VAL 203 CO 0.06 0.37 0.14 0.44 0.02 0.00 0.00 177.57 178.60 1hqg h ASP 204 N 0.94 0.89 0.15 0.57 3.32 -0.69 0.14 116.42 121.74 1hqg h ASP 204 Ca 0.19 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1hqg h ASP 204 Cb 0.41 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1hqg h ASP 204 CO 0.01 0.89 -0.07 0.50 -1.72 0.00 0.00 179.24 178.85 1hqg h LYS 205 N 0.84 -0.19 0.09 3.56 3.64 -1.03 -3.37 116.57 120.12 1hqg h LYS 205 Ca 0.18 0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.27 1hqg h LYS 205 Cb 0.35 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1hqg h LYS 205 CO 0.00 0.18 -1.59 -0.07 -2.27 0.00 0.00 179.45 175.70 1hqg h LEU 206 N -0.59 0.31 0.00 5.20 3.38 -0.84 -3.51 115.31 119.25 1hqg h LEU 206 Ca -0.02 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1hqg h LEU 206 Cb 0.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1hqg h LEU 206 CO 0.03 1.41 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1hqg n GLY 207 N 1.67 0.95 0.27 0.83 0.00 0.49 -4.29 105.19 105.11 1hqg n GLY 207 Ca -0.18 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.39 1hqg n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hqg h ILE 208 N 0.00 0.73 -0.01 -0.61 6.09 -1.94 -2.29 117.51 119.48 1hqg h ILE 208 Ca 0.00 -0.21 -0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1hqg h ILE 208 Cb 0.00 1.13 -0.00 0.00 0.47 0.00 0.00 36.82 38.42 1hqg h ILE 208 CO 0.00 0.05 0.00 1.23 -3.07 0.00 0.00 178.15 176.37 1hqg h GLY 209 N 0.26 0.01 1.63 8.18 0.00 -1.96 -2.31 103.07 108.88 1hqg h GLY 209 Ca -0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1hqg h GLY 209 CO 0.01 0.00 -0.45 1.70 0.00 0.00 0.00 176.54 177.80 1hqg h LYS 210 N -0.08 0.40 -0.61 4.80 1.63 -1.66 -2.86 116.57 118.19 1hqg h LYS 210 Ca 0.00 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.62 1hqg h LYS 210 Cb 0.09 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1hqg h LYS 210 CO -0.00 0.78 0.37 0.28 -3.45 0.00 0.00 179.45 177.43 1hqg h VAL 211 N 0.33 1.06 -0.24 2.00 2.07 -1.24 -1.00 116.25 119.22 1hqg h VAL 211 Ca 0.02 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 1hqg h VAL 211 Cb 0.92 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1hqg h VAL 211 CO 0.08 0.13 -0.44 0.24 0.02 0.00 0.00 177.57 177.60 1hqg h MET 212 N 0.73 0.59 -0.20 1.57 2.86 -1.34 -0.04 114.93 119.10 1hqg h MET 212 Ca 0.25 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1hqg h MET 212 Cb 0.04 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1hqg h MET 212 CO -0.11 0.92 0.12 0.93 1.06 0.00 0.00 176.91 179.83 1hqg h GLU 213 N 0.48 0.28 -0.24 1.72 5.08 -1.22 -1.42 114.58 119.25 1hqg h GLU 213 Ca 0.03 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1hqg h GLU 213 Cb 0.96 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1hqg h GLU 213 CO 0.09 0.23 -0.29 0.93 -1.00 0.00 0.00 179.01 178.97 1hqg h GLU 214 N 0.24 0.49 -0.49 2.33 5.08 -1.10 -1.05 114.58 120.08 1hqg h GLU 214 Ca 0.07 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1hqg h GLU 214 Cb 0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1hqg h GLU 214 CO -0.01 0.74 0.20 1.15 -1.00 0.00 0.00 179.01 180.08 1hqg h THR 215 N 0.43 1.21 -0.31 1.13 2.02 -0.71 -1.04 112.91 115.63 1hqg h THR 215 Ca 0.06 -0.65 -0.17 0.00 0.77 0.00 0.00 66.41 66.42 1hqg h THR 215 Cb 0.73 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1hqg h THR 215 CO 0.06 0.24 -0.46 -0.26 0.37 0.00 0.00 175.52 175.47 1hqg h PHE 216 N 0.65 1.06 -0.52 3.16 0.04 -1.09 -1.76 116.94 118.48 1hqg h PHE 216 Ca 0.16 -0.36 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 1hqg h PHE 216 Cb 0.19 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1hqg h PHE 216 CO 0.00 1.17 0.09 0.66 -0.60 0.00 0.00 178.31 179.64 1hqg h SER 217 N 0.64 0.77 -0.16 2.17 4.64 -1.06 0.67 113.55 121.22 1hqg h SER 217 Ca 0.03 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1hqg h SER 217 Cb 1.06 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1hqg h SER 217 CO 0.11 0.78 -0.07 0.22 -0.87 0.00 0.00 176.83 177.00 1hqg h TYR 218 N 0.78 0.38 0.00 4.77 3.20 -1.12 -1.03 116.97 123.94 1hqg h TYR 218 Ca 0.17 -0.09 -0.26 0.00 3.14 0.00 0.00 58.73 61.68 1hqg h TYR 218 Cb 0.34 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1hqg h TYR 218 CO 0.02 0.64 -1.47 -0.07 -1.64 0.00 0.00 178.16 175.64 1hqg h LEU 219 N 0.01 0.00 0.00 2.82 3.38 -1.19 -3.41 115.31 116.92 1hqg h LEU 219 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1hqg h LEU 219 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1hqg h LEU 219 CO 0.02 0.99 -0.19 0.18 0.09 0.00 0.00 178.44 179.53 1hqg n LEU 220 N -3.14 0.11 -0.30 1.67 4.77 0.23 -4.69 117.00 115.66 1hqg n LEU 220 Ca -0.11 -0.46 0.11 0.00 -0.03 0.00 0.00 56.01 55.52 1hqg n LEU 220 Cb 1.01 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 42.45 1hqg n LEU 220 CO 0.46 0.03 1.22 1.23 -1.33 0.00 0.00 177.39 178.99 1hqg h GLY 221 N 0.59 1.33 1.19 -0.72 0.00 -0.82 -2.68 103.07 101.96 1hqg h GLY 221 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 47.33 46.68 1hqg h GLY 221 CO 0.00 0.08 -1.56 -0.09 0.00 0.00 0.00 176.54 174.97 1hqg h ARG 222 N 0.75 0.36 -1.98 4.80 2.43 -1.85 -3.48 114.38 115.41 1hqg h ARG 222 Ca 0.47 -0.62 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1hqg h ARG 222 Cb 0.71 0.23 -0.21 0.00 -0.42 0.00 0.00 29.97 30.28 1hqg h ARG 222 CO -0.23 1.26 0.15 0.21 -1.51 0.00 0.00 179.97 179.85 1hqg s LYS 223 N -2.61 0.84 -0.11 0.20 2.20 -1.01 -5.14 119.74 114.11 1hqg s LYS 223 Ca -0.11 0.93 -0.27 0.00 -0.36 0.00 0.00 55.97 56.16 1hqg s LYS 223 Cb 0.06 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.77 1hqg s LYS 223 CO 0.88 -0.11 0.90 0.15 -0.36 0.00 0.00 175.35 176.80 1hqg s LYS 224 N 0.26 4.39 0.17 4.03 3.01 -1.26 -4.40 119.74 125.95 1hqg s LYS 224 Ca -0.01 1.19 -0.04 0.00 -1.01 0.00 0.00 55.97 56.10 1hqg s LYS 224 Cb -0.05 -3.53 -0.03 0.00 -1.01 0.00 0.00 37.83 33.21 1hqg s LYS 224 CO 0.01 -0.24 0.18 -0.98 0.51 0.00 0.00 175.35 174.83 1hqg s ARG 225 N 1.78 1.12 0.50 1.68 3.03 -1.26 -5.14 118.95 120.66 1hqg s ARG 225 Ca 0.44 -1.40 -0.23 0.00 2.03 0.00 0.00 55.73 56.56 1hqg s ARG 225 Cb -0.18 0.31 -0.07 0.00 -1.03 0.00 0.00 34.95 33.98 1hqg s ARG 225 CO 0.17 -0.38 1.28 -2.30 -1.13 0.00 0.00 175.30 172.94 1hqg n PRO 226 N -0.20 1.71 -4.42 3.89 -0.02 -1.26 -4.81 135.00 129.89 1hqg n PRO 226 Ca -0.03 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 1hqg n PRO 226 Cb 0.64 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 1hqg n PRO 226 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1hqg s ILE 227 N -1.28 3.91 -0.26 4.25 1.01 -0.40 -1.21 121.20 127.22 1hqg s ILE 227 Ca 0.67 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 1hqg s ILE 227 Cb -0.45 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.34 1hqg s ILE 227 CO 0.53 0.51 -0.01 -2.28 0.00 0.00 0.00 174.94 173.69 1hqg s HIS 228 N 0.17 3.09 -0.35 3.97 5.65 0.21 -0.74 115.29 127.29 1hqg s HIS 228 Ca -0.02 -1.35 -0.12 0.00 0.25 0.00 0.00 55.06 53.82 1hqg s HIS 228 Cb -0.14 -2.12 -0.00 0.00 -1.18 0.00 0.00 32.58 29.14 1hqg s HIS 228 CO 0.03 -0.67 0.23 -1.17 -0.65 0.00 0.00 174.74 172.51 1hqg s LEU 229 N 1.39 4.58 -0.45 8.88 2.96 -0.08 -1.35 118.68 134.60 1hqg s LEU 229 Ca 0.01 -0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 1hqg s LEU 229 Cb -0.17 -2.10 0.09 0.00 0.50 0.00 0.00 46.19 44.51 1hqg s LEU 229 CO -0.02 -0.29 0.32 -0.55 -1.32 0.00 0.00 176.35 174.49 1hqg s SER 230 N 1.67 5.78 -0.35 3.68 0.15 -0.46 -1.08 113.70 123.10 1hqg s SER 230 Ca 0.05 -1.58 -0.11 0.00 0.70 0.00 0.00 55.95 55.01 1hqg s SER 230 Cb -0.18 -2.04 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 1hqg s SER 230 CO 0.09 -0.61 0.20 0.12 1.20 0.00 0.00 173.24 174.24 1hqg s PHE 231 N 1.46 3.22 -0.24 3.44 2.19 -0.10 -1.94 117.98 126.01 1hqg s PHE 231 Ca 0.04 -0.67 -0.16 0.00 0.33 0.00 0.00 56.93 56.46 1hqg s PHE 231 Cb -0.24 -2.43 -0.03 0.00 -1.31 0.00 0.00 43.02 39.00 1hqg s PHE 231 CO 0.02 -0.53 0.44 0.34 1.83 0.00 0.00 175.22 177.32 1hqg s ASP 232 N 1.61 6.39 0.58 6.13 -1.08 -0.16 -0.73 116.67 129.40 1hqg s ASP 232 Ca 0.04 0.46 0.28 0.00 -0.52 0.00 0.00 52.55 52.81 1hqg s ASP 232 Cb -0.18 -2.24 1.59 0.00 -1.46 0.00 0.00 42.92 40.62 1hqg s ASP 232 CO 0.07 -0.18 2.06 0.58 0.52 0.00 0.00 175.17 178.22 1hqg h VAL 233 N 5.27 0.50 0.00 1.11 2.07 -1.55 -0.42 116.25 123.22 1hqg h VAL 233 Ca -0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1hqg h VAL 233 Cb 1.15 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1hqg h VAL 233 CO 0.69 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.38 1hqg n ASP 234 N -3.87 0.00 0.11 0.57 5.68 -1.26 -2.07 116.55 115.71 1hqg n ASP 234 Ca 0.03 -0.73 -0.01 0.00 -0.50 0.00 0.00 54.79 53.58 1hqg n ASP 234 Cb 0.39 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.64 1hqg n ASP 234 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1hqg h GLY 235 N 3.41 0.22 -2.18 6.12 0.00 -1.32 -3.36 103.07 105.96 1hqg h GLY 235 Ca 0.00 -0.19 -0.49 0.00 0.00 0.00 0.00 47.33 46.65 1hqg h GLY 235 CO 0.00 0.17 0.20 1.08 0.00 0.00 0.00 176.54 178.00 1hqg s LEU 236 N -8.32 3.73 0.48 3.11 1.43 -0.88 -2.20 118.68 116.03 1hqg s LEU 236 Ca -0.04 1.25 -0.24 0.00 -1.03 0.00 0.00 54.13 54.07 1hqg s LEU 236 Cb 0.14 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 1hqg s LEU 236 CO 0.76 -0.49 1.36 -0.67 0.23 0.00 0.00 176.35 177.54 1hqg n ASP 237 N -1.52 2.89 0.27 2.29 -0.08 0.43 -4.64 116.55 116.19 1hqg n ASP 237 Ca 0.04 1.07 0.13 0.00 -1.51 0.00 0.00 54.79 54.51 1hqg n ASP 237 Cb 0.54 -1.57 0.68 0.00 2.34 0.00 0.00 41.12 43.12 1hqg n ASP 237 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1hqg h PRO 238 N 1.95 0.00 0.00 -0.67 0.11 -1.83 0.17 132.00 131.73 1hqg h PRO 238 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1hqg h PRO 238 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1hqg h PRO 238 CO 0.59 0.00 -0.07 0.28 -0.21 0.00 0.00 178.00 178.59 1hqg h VAL 239 N 0.00 0.19 0.00 3.15 2.07 -1.96 -2.37 116.25 117.33 1hqg h VAL 239 Ca 0.00 -0.70 -0.28 0.00 0.82 0.00 0.00 66.70 66.54 1hqg h VAL 239 Cb 0.58 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1hqg h VAL 239 CO 0.00 0.07 -2.07 0.49 0.02 0.00 0.00 177.57 176.08 1hqg n PHE 240 N -3.20 0.00 -3.21 1.57 3.72 0.57 -4.78 117.46 112.13 1hqg n PHE 240 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 1hqg n PHE 240 Cb 0.34 -0.74 -0.06 0.00 -0.94 0.00 0.00 39.48 38.08 1hqg n PHE 240 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1hqg n THR 241 N -2.89 0.53 0.06 4.37 -2.24 -0.97 -3.96 114.28 109.19 1hqg n THR 241 Ca -0.31 -4.59 -0.01 0.00 -2.27 0.00 0.00 64.05 56.87 1hqg n THR 241 Cb 0.90 -1.54 0.27 0.00 -2.10 0.00 0.00 70.33 67.86 1hqg n THR 241 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1hqg h PRO 242 N 3.70 0.36 -5.01 -0.78 0.13 -1.66 -3.38 132.00 125.35 1hqg h PRO 242 Ca 0.11 -0.12 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 1hqg h PRO 242 Cb 0.81 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.85 1hqg h PRO 242 CO 0.59 0.57 2.60 0.00 -0.23 0.00 0.00 178.00 181.54 1hqg n ALA 243 N -2.48 4.39 -3.21 -0.56 0.00 -1.26 -4.83 120.51 112.57 1hqg n ALA 243 Ca -0.01 -3.84 -0.13 0.00 0.00 0.00 0.00 53.44 49.46 1hqg n ALA 243 Cb 0.37 -3.58 -0.07 0.00 0.00 0.00 0.00 19.45 16.17 1hqg n ALA 243 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1hqg s THR 244 N 3.92 0.06 0.25 0.00 -1.32 -1.26 -1.51 115.64 115.78 1hqg s THR 244 Ca 0.51 -0.46 -0.05 0.00 -1.21 0.00 0.00 61.69 60.48 1hqg s THR 244 Cb 0.09 -0.80 0.24 0.00 -1.51 0.00 0.00 72.50 70.51 1hqg s THR 244 CO 0.01 -0.25 1.89 1.23 -2.21 0.00 0.00 174.62 175.29 1hqg h GLY 245 N 3.43 1.37 -6.22 6.08 0.00 -1.89 -3.36 103.07 102.48 1hqg h GLY 245 Ca -0.30 -0.46 -0.59 0.00 0.00 0.00 0.00 47.33 45.98 1hqg h GLY 245 CO 0.42 0.38 -0.78 2.41 0.00 0.00 0.00 176.54 178.97 1hqg n THR 246 N -4.50 1.12 -2.24 4.70 -1.04 -1.26 -5.10 114.28 105.96 1hqg n THR 246 Ca 0.12 -4.70 -0.40 0.00 -2.04 0.00 0.00 64.05 57.03 1hqg n THR 246 Cb 0.10 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 1hqg n THR 246 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1hqg s PRO 247 N -1.83 4.38 -0.07 -2.82 0.04 -1.26 -4.94 135.00 128.50 1hqg s PRO 247 Ca 0.37 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.45 1hqg s PRO 247 Cb 0.13 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.66 1hqg s PRO 247 CO -0.07 -0.10 -0.03 0.08 0.04 0.00 0.00 177.00 176.91 1hqg s VAL 248 N -1.19 0.57 0.79 -0.36 1.01 -1.26 -5.05 120.40 114.91 1hqg s VAL 248 Ca 0.49 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.27 1hqg s VAL 248 Cb -0.36 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.45 1hqg s VAL 248 CO 0.47 0.27 1.17 0.68 0.00 0.00 0.00 175.10 177.69 1hqg s VAL 249 N 1.43 2.37 -0.21 2.92 -7.23 -1.26 -4.01 120.40 114.41 1hqg s VAL 249 Ca -0.03 0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.29 1hqg s VAL 249 Cb -0.13 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1hqg s VAL 249 CO -0.03 -0.12 0.09 0.61 -0.31 0.00 0.00 175.10 175.34 1hqg n GLY 250 N 0.13 0.54 1.35 2.32 0.00 -1.26 -5.02 105.19 103.26 1hqg n GLY 250 Ca 0.12 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1hqg n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqg n GLY 251 N -0.83 0.46 3.76 -0.02 0.00 -1.26 -4.95 105.19 102.35 1hqg n GLY 251 Ca -0.01 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1hqg n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqg s LEU 252 N 0.00 3.92 0.80 0.99 1.43 -0.93 -4.25 118.68 120.63 1hqg s LEU 252 Ca 0.24 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.70 1hqg s LEU 252 Cb -0.01 -4.29 0.09 0.00 0.03 0.00 0.00 46.19 42.00 1hqg s LEU 252 CO 0.16 -1.21 1.15 -0.94 0.23 0.00 0.00 176.35 175.73 1hqg s SER 253 N -1.25 4.44 0.15 2.29 1.04 -1.26 -0.43 113.70 118.68 1hqg s SER 253 Ca 0.68 0.62 -0.16 0.00 0.48 0.00 0.00 55.95 57.57 1hqg s SER 253 Cb -0.33 -1.11 0.01 0.00 0.10 0.00 0.00 66.02 64.69 1hqg s SER 253 CO 0.39 -1.91 1.78 0.22 0.98 0.00 0.00 173.24 174.70 1hqg h TYR 254 N -0.99 0.52 -0.47 5.02 3.20 -1.95 -1.60 116.97 120.69 1hqg h TYR 254 Ca -0.45 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.45 1hqg h TYR 254 Cb 1.32 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 1hqg h TYR 254 CO 0.16 0.37 0.25 0.00 -1.64 0.00 0.00 178.16 177.29 1hqg h ARG 255 N 0.52 0.48 -0.55 1.82 3.08 -1.99 -1.99 114.38 115.74 1hqg h ARG 255 Ca 0.14 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1hqg h ARG 255 Cb -0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1hqg h ARG 255 CO -0.03 0.32 0.11 0.93 -1.07 0.00 0.00 179.97 180.23 1hqg h GLU 256 N 0.49 0.86 -0.52 0.04 5.08 -1.86 -0.05 114.58 118.62 1hqg h GLU 256 Ca 0.20 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1hqg h GLU 256 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1hqg h GLU 256 CO -0.13 0.78 0.22 0.78 -1.00 0.00 0.00 179.01 179.67 1hqg h GLY 257 N 0.98 0.83 1.79 -3.84 0.00 -0.86 -1.39 103.07 100.59 1hqg h GLY 257 Ca 0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1hqg h GLY 257 CO 0.00 0.42 -0.44 1.41 0.00 0.00 0.00 176.54 177.93 1hqg h LEU 258 N 0.70 0.24 -0.38 3.11 3.38 -1.04 -2.41 115.31 118.92 1hqg h LEU 258 Ca 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1hqg h LEU 258 Cb 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1hqg h LEU 258 CO -0.02 0.66 0.13 0.22 0.09 0.00 0.00 178.44 179.52 1hqg h TYR 259 N 0.19 0.60 -0.10 1.13 3.20 -0.58 0.15 116.97 121.55 1hqg h TYR 259 Ca 0.01 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1hqg h TYR 259 Cb 0.86 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 1hqg h TYR 259 CO 0.01 0.56 -0.16 0.82 -1.64 0.00 0.00 178.16 177.76 1hqg h ILE 260 N 0.46 0.59 -0.29 1.81 2.04 -1.08 -0.59 117.51 120.45 1hqg h ILE 260 Ca 0.12 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 1hqg h ILE 260 Cb 0.24 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1hqg h ILE 260 CO -0.01 0.00 -0.19 0.71 0.00 0.00 0.00 178.15 178.66 1hqg h THR 261 N -0.21 1.25 -0.50 -0.27 1.35 -1.22 -1.03 112.91 112.29 1hqg h THR 261 Ca 0.09 -1.19 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 1hqg h THR 261 Cb 0.33 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1hqg h THR 261 CO -0.23 0.38 0.08 -0.33 -0.25 0.00 0.00 175.52 175.18 1hqg h GLU 262 N 0.49 0.83 -0.56 4.72 5.08 -0.29 -0.68 114.58 124.15 1hqg h GLU 262 Ca 0.08 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1hqg h GLU 262 Cb 0.61 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1hqg h GLU 262 CO 0.04 0.83 -0.04 0.93 -1.00 0.00 0.00 179.01 179.77 1hqg h GLU 263 N 0.70 1.01 -0.57 2.33 4.39 -0.88 -1.61 114.58 119.96 1hqg h GLU 263 Ca 0.15 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 1hqg h GLU 263 Cb 0.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1hqg h GLU 263 CO 0.01 1.01 0.01 0.82 -1.16 0.00 0.00 179.01 179.71 1hqg h ILE 264 N 0.92 1.26 -0.29 3.13 2.04 -0.98 -2.59 117.51 120.99 1hqg h ILE 264 Ca 0.16 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1hqg h ILE 264 Cb 0.59 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1hqg h ILE 264 CO 0.04 0.39 0.18 0.22 0.00 0.00 0.00 178.15 178.97 1hqg h TYR 265 N 0.90 0.33 -0.01 1.37 3.20 -0.83 -2.59 116.97 119.33 1hqg h TYR 265 Ca 0.17 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1hqg h TYR 265 Cb 0.50 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1hqg h TYR 265 CO 0.03 0.20 0.02 0.87 -1.64 0.00 0.00 178.16 177.65 1hqg h LYS 266 N 0.36 0.00 0.00 1.82 1.57 -0.93 -1.87 116.57 117.52 1hqg h LYS 266 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1hqg h LYS 266 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1hqg h LYS 266 CO -0.04 0.00 -0.32 1.79 -0.57 0.00 0.00 179.45 180.31 1hqg h THR 267 N 0.00 1.00 -0.02 -0.16 1.35 -1.11 -3.46 112.91 110.51 1hqg h THR 267 Ca 0.01 -1.19 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 1hqg h THR 267 Cb 0.05 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1hqg h THR 267 CO -0.00 0.31 -0.01 0.61 -0.25 0.00 0.00 175.52 176.19 1hqg n GLY 268 N -0.30 0.37 0.46 5.82 0.00 -0.70 -4.89 105.19 105.94 1hqg n GLY 268 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1hqg n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqg n LEU 269 N -0.04 1.86 -4.68 0.99 4.77 -1.26 -5.00 117.00 113.64 1hqg n LEU 269 Ca -0.00 -0.87 -0.45 0.00 -0.03 0.00 0.00 56.01 54.65 1hqg n LEU 269 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1hqg n LEU 269 CO 0.01 0.35 1.43 -0.11 -1.33 0.00 0.00 177.39 177.73 1hqg n LEU 270 N 0.31 3.68 0.00 2.23 7.94 -1.26 -1.28 117.00 128.62 1hqg n LEU 270 Ca 0.07 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1hqg n LEU 270 Cb 0.34 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.82 1hqg n LEU 270 CO 0.14 0.01 -0.47 -0.24 -1.11 0.00 0.00 177.39 175.72 1hqg n SER 271 N 5.64 4.73 -3.79 1.96 2.88 0.09 -4.84 113.62 120.29 1hqg n SER 271 Ca 0.19 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 1hqg n SER 271 Cb 0.33 0.65 -0.10 0.00 -0.75 0.00 0.00 64.21 64.34 1hqg n SER 271 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1hqg s GLY 272 N -2.51 -0.16 0.01 0.46 0.00 -1.06 -3.08 107.32 100.97 1hqg s GLY 272 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1hqg s GLY 272 CO 0.00 0.42 -0.01 -2.27 0.00 0.00 0.00 173.10 171.24 1hqg s LEU 273 N -0.40 2.06 -0.05 0.66 0.20 0.02 -0.91 118.68 120.26 1hqg s LEU 273 Ca -0.05 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.68 1hqg s LEU 273 Cb -0.03 0.02 0.00 0.00 -0.43 0.00 0.00 46.19 45.75 1hqg s LEU 273 CO 0.01 -0.07 -0.15 -1.81 -0.29 0.00 0.00 176.35 174.04 1hqg s ASP 274 N -0.36 1.96 -0.38 3.68 1.01 -0.24 -0.69 116.67 121.65 1hqg s ASP 274 Ca -0.04 -0.33 0.04 0.00 0.71 0.00 0.00 52.55 52.93 1hqg s ASP 274 Cb -0.03 -0.70 0.11 0.00 1.01 0.00 0.00 42.92 43.31 1hqg s ASP 274 CO -0.00 0.10 0.09 -0.63 0.21 0.00 0.00 175.17 174.94 1hqg s ILE 275 N 0.31 2.31 0.33 0.77 -1.09 -0.19 -0.92 121.20 122.71 1hqg s ILE 275 Ca -0.09 -2.53 0.09 0.00 -2.23 0.00 0.00 60.65 55.89 1hqg s ILE 275 Cb -0.13 -2.68 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 1hqg s ILE 275 CO 0.03 -0.64 0.07 -0.04 -1.23 0.00 0.00 174.94 173.13 1hqg s MET 276 N 0.67 2.25 -1.40 2.79 -1.94 0.09 -0.83 119.30 120.92 1hqg s MET 276 Ca 0.12 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 1hqg s MET 276 Cb -0.20 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.56 1hqg s MET 276 CO -0.07 0.15 0.00 0.39 -0.01 0.00 0.00 175.02 175.48 1hqg n GLU 277 N -1.04 -1.01 -2.78 2.03 -0.58 -0.84 -1.50 120.64 114.92 1hqg n GLU 277 Ca -0.04 0.90 -0.43 0.00 -0.42 0.00 0.00 57.16 57.17 1hqg n GLU 277 Cb 0.61 -5.04 -0.04 0.00 -0.57 0.00 0.00 31.44 26.40 1hqg n GLU 277 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1hqg s VAL 278 N -2.57 4.44 -0.39 2.62 1.01 -1.26 -4.30 120.40 119.94 1hqg s VAL 278 Ca 0.00 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1hqg s VAL 278 Cb 0.00 -4.45 0.11 0.00 0.00 0.00 0.00 36.38 32.03 1hqg s VAL 278 CO 0.00 -0.84 0.16 0.21 0.00 0.00 0.00 175.10 174.63 1hqg s ASN 279 N 2.26 5.10 0.39 3.32 3.04 -0.57 -3.83 114.94 124.65 1hqg s ASN 279 Ca 0.39 -2.09 0.26 0.00 0.04 0.00 0.00 52.86 51.46 1hqg s ASN 279 Cb -0.10 -1.77 1.41 0.00 -1.54 0.00 0.00 41.25 39.26 1hqg s ASN 279 CO 0.26 -0.49 1.80 -0.65 -3.04 0.00 0.00 177.10 174.99 1hqg h PRO 280 N 7.88 0.00 0.00 0.43 0.11 -1.80 -2.00 132.00 136.63 1hqg h PRO 280 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1hqg h PRO 280 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1hqg h PRO 280 CO 0.64 0.00 -0.49 0.25 -0.21 0.00 0.00 178.00 178.20 1hqg n THR 281 N -2.42 0.08 -0.31 -1.15 -2.24 -1.26 -4.09 114.28 102.89 1hqg n THR 281 Ca -0.02 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.79 1hqg n THR 281 Cb 0.05 0.10 0.32 0.00 -2.10 0.00 0.00 70.33 68.69 1hqg n THR 281 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1hqg n LEU 282 N -1.64 4.15 -4.73 3.22 4.77 -0.75 -4.93 117.00 117.09 1hqg n LEU 282 Ca 0.05 -2.09 -0.41 0.00 -0.03 0.00 0.00 56.01 53.53 1hqg n LEU 282 Cb 0.36 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1hqg n LEU 282 CO 0.35 0.77 0.65 -0.83 -1.33 0.00 0.00 177.39 176.99 1hqg s GLY 283 N -0.88 3.00 0.55 -0.72 0.00 -1.26 -4.49 107.32 103.52 1hqg s GLY 283 Ca 0.46 0.55 0.33 0.00 0.00 0.00 0.00 44.72 46.06 1hqg s GLY 283 CO 0.24 1.40 2.04 0.50 0.00 0.00 0.00 173.10 177.28 1hqg h LYS 284 N 5.45 0.00 -3.94 2.90 1.57 -1.92 -3.45 116.57 117.19 1hqg h LYS 284 Ca -0.43 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 1hqg h LYS 284 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 1hqg h LYS 284 CO 0.71 0.05 -0.32 0.95 -0.57 0.00 0.00 179.45 180.27 1hqg s THR 285 N -3.82 0.04 0.26 -0.16 -4.23 -1.26 -5.03 115.64 101.44 1hqg s THR 285 Ca -0.00 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1hqg s THR 285 Cb 0.10 -2.01 0.22 0.00 1.34 0.00 0.00 72.50 72.16 1hqg s THR 285 CO 0.54 -0.20 1.89 -0.65 -0.54 0.00 0.00 174.62 175.67 1hqg h PRO 286 N 2.50 1.16 -0.60 3.99 0.11 -1.99 -2.58 132.00 134.59 1hqg h PRO 286 Ca -0.31 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1hqg h PRO 286 Cb 1.24 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1hqg h PRO 286 CO 0.46 0.84 0.33 1.49 -0.21 0.00 0.00 178.00 180.92 1hqg h GLU 287 N 1.17 0.82 -0.04 1.05 4.22 -1.97 -1.41 114.58 118.42 1hqg h GLU 287 Ca 0.30 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.60 1hqg h GLU 287 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1hqg h GLU 287 CO -0.05 0.59 -0.25 0.93 -2.18 0.00 0.00 179.01 178.05 1hqg h GLU 288 N 0.83 0.06 -0.04 1.92 5.08 -1.85 0.18 114.58 120.76 1hqg h GLU 288 Ca 0.21 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1hqg h GLU 288 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1hqg h GLU 288 CO -0.04 0.32 -0.20 0.28 -1.00 0.00 0.00 179.01 178.38 1hqg h VAL 289 N 0.06 1.46 -0.96 3.13 2.07 -1.27 -2.38 116.25 118.36 1hqg h VAL 289 Ca 0.01 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.92 1hqg h VAL 289 Cb 0.49 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1hqg h VAL 289 CO 0.03 0.46 0.62 0.74 0.02 0.00 0.00 177.57 179.45 1hqg h THR 290 N -0.34 1.14 -0.36 2.57 2.02 -0.92 -0.34 112.91 116.67 1hqg h THR 290 Ca -0.01 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1hqg h THR 290 Cb 0.85 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1hqg h THR 290 CO 0.04 0.22 0.21 -0.09 0.37 0.00 0.00 175.52 176.27 1hqg h ARG 291 N 1.18 0.50 -0.27 6.66 2.43 -0.64 -0.32 114.38 123.92 1hqg h ARG 291 Ca 0.39 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 1hqg h ARG 291 Cb 0.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1hqg h ARG 291 CO -0.14 0.39 0.04 1.15 -1.51 0.00 0.00 179.97 179.90 1hqg h THR 292 N 0.47 1.24 -0.29 0.20 2.02 -0.85 -1.94 112.91 113.75 1hqg h THR 292 Ca 0.13 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1hqg h THR 292 Cb 0.02 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1hqg h THR 292 CO -0.02 0.26 0.09 0.58 0.37 0.00 0.00 175.52 176.80 1hqg h VAL 293 N 0.27 1.20 -0.96 3.16 2.07 -1.00 -1.60 116.25 119.38 1hqg h VAL 293 Ca 0.08 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1hqg h VAL 293 Cb 0.35 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1hqg h VAL 293 CO 0.01 0.21 0.63 0.78 0.02 0.00 0.00 177.57 179.22 1hqg h ASN 294 N 0.31 1.12 -0.38 0.57 2.35 -1.03 -0.04 115.58 118.47 1hqg h ASN 294 Ca 0.09 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1hqg h ASN 294 Cb 0.24 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1hqg h ASN 294 CO -0.00 0.82 0.10 0.74 -1.65 0.00 0.00 177.43 177.44 1hqg h THR 295 N 1.31 1.22 -0.88 2.81 2.02 -1.13 -0.12 112.91 118.15 1hqg h THR 295 Ca 0.35 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1hqg h THR 295 Cb -0.14 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 1hqg h THR 295 CO -0.07 0.26 0.45 0.00 0.37 0.00 0.00 175.52 176.52 1hqg h ALA 296 N 0.95 1.14 -0.38 6.16 0.00 -0.79 -0.93 119.26 125.42 1hqg h ALA 296 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1hqg h ALA 296 Cb 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1hqg h ALA 296 CO -0.00 0.67 0.09 0.28 0.00 0.00 0.00 179.25 180.29 1hqg h VAL 297 N 1.24 1.23 -0.70 0.00 2.07 -0.75 -1.91 116.25 117.43 1hqg h VAL 297 Ca 0.31 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1hqg h VAL 297 Cb 0.08 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1hqg h VAL 297 CO -0.04 0.27 0.41 0.00 0.02 0.00 0.00 177.57 178.23 1hqg h ALA 298 N 0.93 0.89 -0.75 1.67 0.00 -0.60 -0.86 119.26 120.56 1hqg h ALA 298 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1hqg h ALA 298 Cb 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1hqg h ALA 298 CO 0.00 0.38 0.38 -0.07 0.00 0.00 0.00 179.25 179.94 1hqg h LEU 299 N 0.96 0.96 -0.03 0.00 3.38 -1.05 -0.29 115.31 119.24 1hqg h LEU 299 Ca 0.25 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1hqg h LEU 299 Cb -0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1hqg h LEU 299 CO -0.05 0.80 0.01 0.74 0.09 0.00 0.00 178.44 180.04 1hqg h THR 300 N 1.04 1.15 -0.77 0.22 2.02 -0.85 -1.69 112.91 114.04 1hqg h THR 300 Ca 0.26 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1hqg h THR 300 Cb 0.08 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1hqg h THR 300 CO -0.04 0.12 0.51 -0.07 0.37 0.00 0.00 175.52 176.41 1hqg h LEU 301 N -0.13 0.85 -0.88 2.58 3.38 -1.01 -1.99 115.31 118.12 1hqg h LEU 301 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hqg h LEU 301 Cb 0.19 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1hqg h LEU 301 CO -0.00 0.61 0.55 -1.28 0.09 0.00 0.00 178.44 178.41 1hqg h SER 302 N 1.00 1.03 -0.01 -0.43 0.87 -0.70 -0.78 113.55 114.54 1hqg h SER 302 Ca 0.29 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1hqg h SER 302 Cb -0.06 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.64 1hqg h SER 302 CO -0.07 0.77 0.01 0.00 -0.53 0.00 0.00 176.83 177.01 1hqg n PHE 304 N -3.78 1.67 0.00 0.00 3.72 -0.33 -4.42 117.46 114.32 1hqg n PHE 304 Ca -0.03 -1.78 0.00 0.00 -0.05 0.00 0.00 57.45 55.60 1hqg n PHE 304 Cb 0.09 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 1hqg n PHE 304 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hqg n GLY 305 N -1.10 1.63 3.67 1.37 0.00 -1.02 -4.49 105.19 105.26 1hqg n GLY 305 Ca 0.41 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1hqg n GLY 305 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hqg s THR 306 N -1.84 2.96 0.08 2.61 2.01 -0.99 -4.98 115.64 115.49 1hqg s THR 306 Ca 0.00 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1hqg s THR 306 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1hqg s THR 306 CO 0.00 -0.01 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.21 1hqg s LYS 307 N 3.66 1.95 0.40 4.92 1.02 -1.26 -4.34 119.74 126.10 1hqg s LYS 307 Ca 0.82 -1.07 0.20 0.00 0.02 0.00 0.00 55.97 55.94 1hqg s LYS 307 Cb -0.42 -2.17 0.83 0.00 -0.52 0.00 0.00 37.83 35.55 1hqg s LYS 307 CO 0.37 0.51 1.81 0.00 -0.92 0.00 0.00 175.35 177.12 1hqg h ARG 308 N 4.08 0.00 0.00 1.68 3.08 -1.98 -1.71 114.38 119.53 1hqg h ARG 308 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1hqg h ARG 308 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1hqg h ARG 308 CO 0.47 0.32 0.00 1.05 -1.07 0.00 0.00 179.97 180.74 1hqg h GLU 309 N 0.00 0.00 0.00 0.04 4.11 -2.01 -3.48 114.58 113.24 1hqg h GLU 309 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1hqg h GLU 309 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1hqg h GLU 309 CO 0.04 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.53 1hqg n GLY 310 N 0.20 2.09 3.18 1.06 0.00 -0.64 -5.12 105.19 105.96 1hqg n GLY 310 Ca 0.02 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1hqg n GLY 310 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hqg s ASN 311 N 0.00 -0.02 0.00 1.61 0.01 -1.26 -4.47 114.94 110.81 1hqg s ASN 311 Ca 0.00 -0.24 -0.19 0.00 -0.71 0.00 0.00 52.86 51.72 1hqg s ASN 311 Cb 0.00 0.28 0.04 0.00 0.41 0.00 0.00 41.25 41.97 1hqg s ASN 311 CO 0.00 -0.50 0.42 -1.38 -1.51 0.00 0.00 177.10 174.13 1hqg s HIS 312 N -2.07 -0.30 0.31 2.20 -3.43 -1.26 -5.13 115.29 105.60 1hqg s HIS 312 Ca -0.09 0.42 -0.28 0.00 -0.80 0.00 0.00 55.06 54.30 1hqg s HIS 312 Cb -0.03 0.20 -0.09 0.00 -1.43 0.00 0.00 32.58 31.22 1hqg s HIS 312 CO -0.01 -0.50 1.14 0.15 -2.00 0.00 0.00 174.74 173.51 1hqg s LYS 313 N -1.74 4.49 0.79 -0.38 1.02 -1.26 -5.03 119.74 117.63 1hqg s LYS 313 Ca -0.10 1.85 -0.11 0.00 0.02 0.00 0.00 55.97 57.63 1hqg s LYS 313 Cb -0.03 -3.06 0.06 0.00 -0.52 0.00 0.00 37.83 34.29 1hqg s LYS 313 CO 0.03 0.06 1.09 -1.25 -0.92 0.00 0.00 175.35 174.35 1hqg s PRO 314 N -1.69 2.14 -1.46 -1.68 0.04 -1.26 -3.77 135.00 127.32 1hqg s PRO 314 Ca 0.48 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 1hqg s PRO 314 Cb -0.32 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1hqg s PRO 314 CO 0.42 -1.67 0.43 0.39 0.04 0.00 0.00 177.00 176.61 1hqg n GLU 315 N -3.52 -3.08 -3.54 4.56 1.02 -1.26 -4.95 120.64 109.87 1hqg n GLU 315 Ca 0.08 0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 57.42 1hqg n GLU 315 Cb 0.54 -4.53 -0.13 0.00 -0.02 0.00 0.00 31.44 27.30 1hqg n GLU 315 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1hqg s THR 316 N -3.90 -0.34 -0.95 2.62 2.01 -1.25 -5.09 115.64 108.75 1hqg s THR 316 Ca 0.11 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 1hqg s THR 316 Cb -0.06 -0.60 0.13 0.00 0.01 0.00 0.00 72.50 71.98 1hqg s THR 316 CO 0.90 -0.11 1.15 -0.62 -0.69 0.00 0.00 174.62 175.25 1hqg s ASP 317 N 2.34 6.65 0.63 3.53 2.15 -1.26 -4.86 116.67 125.84 1hqg s ASP 317 Ca 0.06 -2.08 0.34 0.00 0.43 0.00 0.00 52.55 51.30 1hqg s ASP 317 Cb -0.15 -2.40 1.93 0.00 -0.30 0.00 0.00 42.92 42.00 1hqg s ASP 317 CO -0.11 -1.06 2.19 1.88 -0.17 0.00 0.00 175.17 177.90 1hqg h TYR 318 N 8.77 0.00 -0.01 -5.34 0.05 -1.98 -3.55 116.97 114.90 1hqg h TYR 318 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1hqg h TYR 318 Cb 1.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1hqg h TYR 318 CO 1.17 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 179.56