#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqz s GLU 4 N 0.00 3.08 0.59 1.47 2.12 -1.26 -5.07 118.70 119.62 1hqz s GLU 4 Ca 0.00 -2.45 -0.20 0.00 0.36 0.00 0.00 54.97 52.68 1hqz s GLU 4 Cb 0.00 -4.09 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 1hqz s GLU 4 CO 0.00 -1.23 1.33 -2.30 -0.54 0.00 0.00 175.26 172.51 1hqz n PRO 5 N 3.82 1.47 -3.02 4.30 -0.02 -1.26 -4.85 135.00 135.43 1hqz n PRO 5 Ca 0.10 0.55 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1hqz n PRO 5 Cb 0.42 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 1hqz n PRO 5 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1hqz s ILE 6 N -1.33 4.49 -0.34 4.25 2.07 -1.26 -5.05 121.20 124.04 1hqz s ILE 6 Ca 0.76 1.39 -0.02 0.00 -1.41 0.00 0.00 60.65 61.37 1hqz s ILE 6 Cb -0.40 -3.86 0.07 0.00 0.13 0.00 0.00 42.46 38.40 1hqz s ILE 6 CO 0.46 0.14 0.07 -0.62 -1.91 0.00 0.00 174.94 173.08 1hqz s ASP 7 N -1.72 5.00 -0.05 4.50 2.15 -1.26 -4.89 116.67 120.40 1hqz s ASP 7 Ca 0.46 -1.61 0.07 0.00 0.43 0.00 0.00 52.55 51.91 1hqz s ASP 7 Cb -0.16 -1.74 0.11 0.00 -0.30 0.00 0.00 42.92 40.83 1hqz s ASP 7 CO 0.21 -0.37 1.00 0.00 -0.17 0.00 0.00 175.17 175.84 1hqz n TYR 8 N 4.58 0.00 -0.06 -5.34 0.18 -1.26 -0.96 117.16 114.30 1hqz n TYR 8 Ca -0.08 -0.56 -0.01 0.00 1.88 0.00 0.00 57.90 59.13 1hqz n TYR 8 Cb 0.43 -0.08 -0.14 0.00 -0.38 0.00 0.00 39.34 39.16 1hqz n TYR 8 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1hqz n THR 9 N -0.73 0.73 -0.11 -3.48 -2.24 -1.26 -3.77 114.28 103.41 1hqz n THR 9 Ca 0.06 -0.62 -0.06 0.00 -2.27 0.00 0.00 64.05 61.16 1hqz n THR 9 Cb 0.50 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.46 1hqz n THR 9 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1hqz h THR 10 N 0.00 0.90 -0.77 4.28 2.02 -1.90 -2.26 112.91 115.18 1hqz h THR 10 Ca -0.29 -0.10 -0.49 0.00 0.77 0.00 0.00 66.41 66.30 1hqz h THR 10 Cb 1.60 0.58 -0.28 0.00 -1.74 0.00 0.00 68.15 68.31 1hqz h THR 10 CO 0.02 0.05 0.19 1.41 0.37 0.00 0.00 175.52 177.56 1hqz n HIS 11 N -5.01 2.52 -0.05 3.16 8.25 -1.26 -4.69 115.22 118.14 1hqz n HIS 11 Ca 0.02 -2.28 0.11 0.00 -0.26 0.00 0.00 57.72 55.31 1hqz n HIS 11 Cb 0.13 -0.86 0.50 0.00 1.12 0.00 0.00 29.99 30.89 1hqz n HIS 11 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1hqz h SER 12 N 1.62 0.35 0.42 0.41 4.64 -1.50 -1.32 113.55 118.18 1hqz h SER 12 Ca 0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 1hqz h SER 12 Cb 1.54 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1hqz h SER 12 CO 1.00 0.22 -0.22 -0.09 -0.87 0.00 0.00 176.83 176.88 1hqz h ARG 13 N 0.40 -0.57 -0.38 4.77 9.65 -1.83 0.23 114.38 126.64 1hqz h ARG 13 Ca 0.25 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.13 1hqz h ARG 13 Cb 0.45 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 1hqz h ARG 13 CO -0.06 -0.38 0.10 0.93 2.80 0.00 0.00 179.97 183.35 1hqz h GLU 14 N -0.59 0.61 0.59 0.20 3.07 -1.84 -2.64 114.58 113.98 1hqz h GLU 14 Ca -0.06 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.63 1hqz h GLU 14 Cb 0.46 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1hqz h GLU 14 CO 0.09 0.64 -0.28 0.82 -1.40 0.00 0.00 179.01 178.87 1hqz h ILE 15 N 0.47 0.38 -0.51 3.13 2.04 -1.15 -3.04 117.51 118.84 1hqz h ILE 15 Ca 0.12 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1hqz h ILE 15 Cb 0.30 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1hqz h ILE 15 CO 0.00 0.02 0.34 0.44 0.00 0.00 0.00 178.15 178.96 1hqz h ASP 16 N -0.91 0.34 -0.62 1.72 3.32 -0.61 0.04 116.42 119.71 1hqz h ASP 16 Ca -0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1hqz h ASP 16 Cb 0.65 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1hqz h ASP 16 CO 0.13 0.22 0.33 0.00 -1.72 0.00 0.00 179.24 178.20 1hqz h ALA 17 N 1.73 0.80 -0.04 3.45 0.00 -1.40 -0.48 119.26 123.32 1hqz h ALA 17 Ca 0.23 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1hqz h ALA 17 Cb 0.39 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1hqz h ALA 17 CO -0.06 0.34 -0.84 0.93 0.00 0.00 0.00 179.25 179.62 1hqz h GLU 18 N 0.85 0.63 -0.10 0.00 4.39 -1.25 -3.10 114.58 116.00 1hqz h GLU 18 Ca 0.22 -0.63 0.04 0.00 0.34 0.00 0.00 59.36 59.33 1hqz h GLU 18 Cb 0.07 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 1hqz h GLU 18 CO -0.03 1.24 -0.29 -0.92 -1.16 0.00 0.00 179.01 177.85 1hqz h TYR 19 N 0.27 -0.78 -0.38 4.33 3.20 -0.76 -1.65 116.97 121.21 1hqz h TYR 19 Ca -0.09 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1hqz h TYR 19 Cb 1.50 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 40.10 1hqz h TYR 19 CO 0.11 -0.37 0.22 -0.07 -1.64 0.00 0.00 178.16 176.41 1hqz h LEU 20 N -0.38 0.35 -0.49 2.82 3.38 -1.18 -0.61 115.31 119.20 1hqz h LEU 20 Ca 0.09 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1hqz h LEU 20 Cb 0.51 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1hqz h LEU 20 CO -0.31 0.25 -0.09 0.11 0.09 0.00 0.00 178.44 178.50 1hqz h LYS 21 N 0.45 0.03 0.27 1.13 1.57 -1.40 -1.10 116.57 117.51 1hqz h LYS 21 Ca 0.15 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1hqz h LYS 21 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1hqz h LYS 21 CO -0.07 0.02 -0.13 0.82 -0.57 0.00 0.00 179.45 179.51 1hqz h ILE 22 N 0.03 0.76 0.00 1.86 2.04 -0.85 -0.18 117.51 121.17 1hqz h ILE 22 Ca 0.24 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1hqz h ILE 22 Cb 0.37 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1hqz h ILE 22 CO -0.48 0.12 -0.13 -0.37 0.00 0.00 0.00 178.15 177.29 1hqz h VAL 23 N -0.69 0.83 0.00 1.67 -1.51 -0.99 -2.73 116.25 112.83 1hqz h VAL 23 Ca -0.04 -0.50 -0.20 0.00 -1.23 0.00 0.00 66.70 64.73 1hqz h VAL 23 Cb 0.48 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 1hqz h VAL 23 CO 0.06 0.13 -1.37 0.03 -1.23 0.00 0.00 177.57 175.19 1hqz h ARG 24 N 0.00 0.00 -0.14 5.19 3.08 -1.22 -3.48 114.38 117.81 1hqz h ARG 24 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1hqz h ARG 24 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1hqz h ARG 24 CO 0.02 0.44 -0.04 0.41 -1.07 0.00 0.00 179.97 179.73 1hqz n GLY 25 N 1.42 0.44 0.00 0.04 0.00 -0.12 -4.94 105.19 102.04 1hqz n GLY 25 Ca -0.10 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.08 1hqz n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqz n SER 26 N 1.70 0.00 -3.28 1.61 3.41 -0.95 -4.56 113.62 111.56 1hqz n SER 26 Ca -0.02 -0.50 -0.05 0.00 -0.26 0.00 0.00 58.87 58.04 1hqz n SER 26 Cb 0.21 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1hqz n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hqz s ASP 27 N -2.15 -0.21 0.66 4.04 2.15 -1.26 -5.03 116.67 114.86 1hqz s ASP 27 Ca 0.29 0.13 0.37 0.00 0.43 0.00 0.00 52.55 53.76 1hqz s ASP 27 Cb 0.15 1.40 2.01 0.00 -0.30 0.00 0.00 42.92 46.18 1hqz s ASP 27 CO 0.27 -0.31 2.16 1.55 -0.17 0.00 0.00 175.17 178.66 1hqz h PRO 28 N 8.12 0.00 0.00 4.34 0.13 -1.96 -0.64 132.00 141.99 1hqz h PRO 28 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1hqz h PRO 28 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1hqz h PRO 28 CO 0.25 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.58 1hqz h ASP 29 N 0.00 0.00 -3.43 1.44 3.32 -1.95 -3.41 116.42 112.40 1hqz h ASP 29 Ca 0.01 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.45 1hqz h ASP 29 Cb 0.33 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.48 1hqz h ASP 29 CO -0.00 0.00 -0.74 -0.89 -1.72 0.00 0.00 179.24 175.89 1hqz s THR 30 N -3.32 1.46 -0.43 0.35 2.01 -0.25 -2.71 115.64 112.76 1hqz s THR 30 Ca 0.06 -1.94 0.04 0.00 0.31 0.00 0.00 61.69 60.15 1hqz s THR 30 Cb 0.06 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.51 1hqz s THR 30 CO 0.64 -0.69 0.54 0.35 -0.69 0.00 0.00 174.62 174.77 1hqz n THR 31 N 4.40 0.00 -3.76 -0.82 -2.24 -0.34 -4.30 114.28 107.22 1hqz n THR 31 Ca 0.02 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 1hqz n THR 31 Cb 0.40 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 1hqz n THR 31 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1hqz s TRP 32 N -0.51 -0.02 -0.09 4.78 1.48 -1.05 -0.05 118.94 123.47 1hqz s TRP 32 Ca 0.04 -0.32 -0.14 0.00 -1.06 0.00 0.00 56.10 54.61 1hqz s TRP 32 Cb 0.03 0.08 0.03 0.00 -1.16 0.00 0.00 33.47 32.45 1hqz s TRP 32 CO 0.07 -0.59 0.36 -1.17 -4.06 0.00 0.00 176.95 171.55 1hqz s LEU 33 N -2.71 0.64 -0.10 -4.66 2.96 0.97 -2.88 118.68 112.89 1hqz s LEU 33 Ca 0.03 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1hqz s LEU 33 Cb 0.03 1.31 0.02 0.00 0.50 0.00 0.00 46.19 48.05 1hqz s LEU 33 CO -0.10 -0.26 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.93 1hqz s ILE 34 N -0.38 1.23 -0.12 6.68 1.01 -0.44 0.15 121.20 129.32 1hqz s ILE 34 Ca -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1hqz s ILE 34 Cb -0.03 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1hqz s ILE 34 CO 0.02 0.39 0.02 0.27 0.00 0.00 0.00 174.94 175.64 1hqz s ILE 35 N 1.14 4.46 0.10 2.92 -4.36 0.11 -0.58 121.20 125.00 1hqz s ILE 35 Ca -0.05 -0.18 0.03 0.00 -0.26 0.00 0.00 60.65 60.20 1hqz s ILE 35 Cb -0.14 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 1hqz s ILE 35 CO -0.03 0.56 -0.09 -0.55 0.24 0.00 0.00 174.94 175.07 1hqz s SER 36 N -0.43 1.37 0.11 4.36 0.15 -0.72 -1.99 113.70 116.55 1hqz s SER 36 Ca 0.08 -0.87 -0.30 0.00 0.70 0.00 0.00 55.95 55.57 1hqz s SER 36 Cb -0.12 0.03 -0.06 0.00 -1.71 0.00 0.00 66.02 64.16 1hqz s SER 36 CO 0.02 -0.32 0.94 -2.16 1.20 0.00 0.00 173.24 172.92 1hqz s PRO 37 N -3.09 4.68 0.34 5.44 0.04 -1.26 -1.72 135.00 139.44 1hqz s PRO 37 Ca 0.07 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.48 1hqz s PRO 37 Cb -0.01 -3.37 0.08 0.00 0.04 0.00 0.00 34.50 31.24 1hqz s PRO 37 CO -0.01 0.22 0.47 0.27 0.04 0.00 0.00 177.00 177.99 1hqz n ASN 38 N 2.77 0.15 -0.14 6.66 0.23 0.15 -4.82 115.26 120.26 1hqz n ASN 38 Ca 0.02 -1.24 0.17 0.00 -0.53 0.00 0.00 54.58 53.00 1hqz n ASN 38 Cb 0.49 -0.35 0.55 0.00 -2.08 0.00 0.00 39.78 38.39 1hqz n ASN 38 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hqz h ALA 39 N -1.58 2.22 -0.33 -2.53 0.00 -1.97 0.13 119.26 115.19 1hqz h ALA 39 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1hqz h ALA 39 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1hqz h ALA 39 CO 0.12 -0.41 0.00 1.63 0.00 0.00 0.00 179.25 180.58 1hqz n LYS 40 N -4.45 2.76 -1.85 0.00 5.02 -1.26 -4.88 118.16 113.50 1hqz n LYS 40 Ca 0.14 -1.62 -0.18 0.00 -2.02 0.00 0.00 58.31 54.63 1hqz n LYS 40 Cb 0.56 -1.74 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1hqz n LYS 40 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hqz n LYS 41 N 0.43 -1.32 -3.74 1.97 5.02 0.45 -4.99 118.16 115.98 1hqz n LYS 41 Ca 0.14 1.02 -0.36 0.00 -2.02 0.00 0.00 58.31 57.10 1hqz n LYS 41 Cb 0.64 -5.38 -0.07 0.00 -0.02 0.00 0.00 35.03 30.20 1hqz n LYS 41 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hqz s GLU 42 N -4.08 3.96 0.04 1.97 2.02 -1.26 -4.51 118.70 116.84 1hqz s GLU 42 Ca 0.00 -0.12 -0.26 0.00 0.02 0.00 0.00 54.97 54.61 1hqz s GLU 42 Cb 0.00 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 1hqz s GLU 42 CO 0.00 0.45 0.81 0.71 0.02 0.00 0.00 175.26 177.25 1hqz s TYR 43 N -0.11 3.72 0.16 1.61 1.51 -0.14 0.32 117.35 124.43 1hqz s TYR 43 Ca 0.12 1.51 -0.10 0.00 -1.01 0.00 0.00 57.07 57.59 1hqz s TYR 43 Cb -0.12 -2.88 -0.00 0.00 -0.11 0.00 0.00 41.96 38.85 1hqz s TYR 43 CO 0.01 0.21 0.31 -1.83 -1.11 0.00 0.00 175.55 173.15 1hqz s GLU 44 N 0.17 1.17 0.10 -0.62 -1.05 -0.70 -4.43 118.70 113.34 1hqz s GLU 44 Ca 0.41 -1.12 -0.32 0.00 -0.15 0.00 0.00 54.97 53.79 1hqz s GLU 44 Cb -0.21 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 33.76 1hqz s GLU 44 CO 0.24 -0.44 1.79 -2.30 0.95 0.00 0.00 175.26 175.50 1hqz n PRO 45 N -0.22 2.58 -0.12 -4.83 -0.02 -1.26 -1.76 135.00 129.37 1hqz n PRO 45 Ca -0.08 0.94 -0.21 0.00 -2.02 0.00 0.00 63.50 62.12 1hqz n PRO 45 Cb 0.63 -2.80 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 1hqz n PRO 45 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1hqz n GLU 46 N 5.31 0.65 -3.59 -0.52 2.13 0.26 -4.86 120.64 120.01 1hqz n GLU 46 Ca 0.18 0.20 -0.12 0.00 0.66 0.00 0.00 57.16 58.09 1hqz n GLU 46 Cb 0.34 -1.54 -0.05 0.00 0.27 0.00 0.00 31.44 30.46 1hqz n GLU 46 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1hqz s SER 47 N -6.82 -0.34 0.09 4.31 1.04 -1.15 -5.03 113.70 105.81 1hqz s SER 47 Ca -0.34 -0.11 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 1hqz s SER 47 Cb 0.10 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 1hqz s SER 47 CO 0.59 -0.81 0.18 0.42 0.98 0.00 0.00 173.24 174.61 1hqz s THR 48 N -3.27 0.14 0.14 2.02 -4.23 -1.26 -1.32 115.64 107.86 1hqz s THR 48 Ca -0.01 -1.23 -0.24 0.00 -1.18 0.00 0.00 61.69 59.04 1hqz s THR 48 Cb 0.00 -1.37 0.08 0.00 1.34 0.00 0.00 72.50 72.55 1hqz s THR 48 CO -0.08 -0.65 1.09 -0.83 -0.54 0.00 0.00 174.62 173.60 1hqz s GLY 49 N -2.87 0.05 -0.12 3.99 0.00 -1.14 -5.01 107.32 102.22 1hqz s GLY 49 Ca 0.06 -0.23 0.16 0.00 0.00 0.00 0.00 44.72 44.71 1hqz s GLY 49 CO -0.10 2.88 0.17 -1.14 0.00 0.00 0.00 173.10 174.91 1hqz n SER 50 N -1.15 0.78 -4.66 1.64 3.41 -1.10 -1.20 113.62 111.34 1hqz n SER 50 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.19 1hqz n SER 50 Cb 0.59 1.23 -0.06 0.00 -0.26 0.00 0.00 64.21 65.71 1hqz n SER 50 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hqz s SER 51 N -4.77 6.64 0.37 4.04 0.15 -1.26 -4.57 113.70 114.29 1hqz s SER 51 Ca -0.08 0.77 0.07 0.00 0.70 0.00 0.00 55.95 57.41 1hqz s SER 51 Cb 0.07 -2.32 0.72 0.00 -1.71 0.00 0.00 66.02 62.78 1hqz s SER 51 CO 0.72 -0.23 1.93 0.15 1.20 0.00 0.00 173.24 177.01 1hqz h PHE 52 N 7.46 0.43 -0.72 3.44 3.57 -1.94 -1.52 116.94 127.66 1hqz h PHE 52 Ca -0.33 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 1hqz h PHE 52 Cb 1.15 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1hqz h PHE 52 CO 0.71 0.43 0.31 1.25 -2.23 0.00 0.00 178.31 178.78 1hqz h HIS 53 N 0.41 1.08 -0.50 0.41 2.76 -2.01 -2.46 115.15 114.84 1hqz h HIS 53 Ca 0.09 -0.07 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 1hqz h HIS 53 Cb 0.26 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1hqz h HIS 53 CO 0.01 0.82 0.02 -0.44 -1.30 0.00 0.00 177.93 177.03 1hqz h ASP 54 N 1.03 0.86 -0.39 3.26 5.19 -1.73 -3.15 116.42 121.49 1hqz h ASP 54 Ca 0.24 -0.30 0.08 0.00 -0.62 0.00 0.00 57.03 56.44 1hqz h ASP 54 Cb 0.17 -0.23 -0.09 0.00 0.18 0.00 0.00 39.33 39.36 1hqz h ASP 54 CO -0.02 0.95 -0.28 0.15 -3.12 0.00 0.00 179.24 176.91 1hqz h PHE 55 N 0.75 -0.75 0.00 4.55 3.57 -0.94 -0.83 116.94 123.28 1hqz h PHE 55 Ca 0.15 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1hqz h PHE 55 Cb 0.50 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1hqz h PHE 55 CO 0.04 -0.35 0.00 -0.07 -2.23 0.00 0.00 178.31 175.70 1hqz h LEU 56 N -0.21 0.00 -2.72 0.59 3.38 -1.41 -1.58 115.31 113.36 1hqz h LEU 56 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1hqz h LEU 56 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1hqz h LEU 56 CO -0.52 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.01 1hqz n GLN 57 N -2.99 2.71 -0.35 1.13 6.02 -0.34 -4.52 117.38 119.03 1hqz n GLN 57 Ca -0.03 -2.50 0.07 0.00 -0.01 0.00 0.00 57.00 54.53 1hqz n GLN 57 Cb 0.08 -1.51 0.22 0.00 1.02 0.00 0.00 30.24 30.06 1hqz n GLN 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1hqz n LEU 58 N 1.42 3.58 -4.83 1.08 4.77 -0.59 -4.99 117.00 117.43 1hqz n LEU 58 Ca 0.22 -2.52 -0.35 0.00 -0.03 0.00 0.00 56.01 53.32 1hqz n LEU 58 Cb 0.58 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1hqz n LEU 58 CO 0.15 0.71 0.36 -0.36 -1.33 0.00 0.00 177.39 176.92 1hqz s PHE 59 N -1.94 3.58 -0.31 -1.77 0.40 -1.26 -5.03 117.98 111.65 1hqz s PHE 59 Ca 0.35 1.25 -0.18 0.00 -0.60 0.00 0.00 56.93 57.75 1hqz s PHE 59 Cb 0.25 -2.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1hqz s PHE 59 CO 0.13 0.32 0.50 0.34 0.70 0.00 0.00 175.22 177.21 1hqz s ASP 60 N -1.81 6.35 0.00 1.36 -1.08 -1.26 -4.96 116.67 115.27 1hqz s ASP 60 Ca 0.44 0.19 0.07 0.00 -0.52 0.00 0.00 52.55 52.72 1hqz s ASP 60 Cb -0.15 -2.27 0.37 0.00 -1.46 0.00 0.00 42.92 39.41 1hqz s ASP 60 CO 0.20 -0.39 0.94 -1.84 0.52 0.00 0.00 175.17 174.60 1hqz n GLU 61 N 5.65 0.16 -0.05 4.34 0.28 -1.26 -1.97 120.64 127.80 1hqz n GLU 61 Ca -0.05 0.09 0.04 0.00 -0.16 0.00 0.00 57.16 57.08 1hqz n GLU 61 Cb 0.49 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.93 1hqz n GLU 61 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1hqz n THR 62 N -1.11 0.34 -4.06 3.84 -2.24 -1.26 -3.94 114.28 105.85 1hqz n THR 62 Ca 0.04 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 1hqz n THR 62 Cb 0.03 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 1hqz n THR 62 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1hqz s LYS 63 N -0.81 0.52 -0.18 -0.78 1.02 -0.83 -3.92 119.74 114.76 1hqz s LYS 63 Ca 0.13 -0.82 -0.24 0.00 0.02 0.00 0.00 55.97 55.06 1hqz s LYS 63 Cb 0.08 -0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 1hqz s LYS 63 CO 0.11 0.01 0.79 0.08 -0.92 0.00 0.00 175.35 175.43 1hqz s VAL 64 N -1.79 4.90 0.22 3.17 1.01 -1.26 -4.42 120.40 122.23 1hqz s VAL 64 Ca -0.08 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.45 1hqz s VAL 64 Cb -0.07 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1hqz s VAL 64 CO -0.01 0.03 0.07 -1.10 0.00 0.00 0.00 175.10 174.09 1hqz s GLN 65 N 2.18 1.26 -0.03 2.72 -0.21 -0.26 -4.49 119.66 120.83 1hqz s GLN 65 Ca 0.36 -1.65 0.03 0.00 0.02 0.00 0.00 55.36 54.12 1hqz s GLN 65 Cb -0.16 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.70 1hqz s GLN 65 CO 0.11 -0.26 -0.12 0.71 -2.12 0.00 0.00 175.29 173.62 1hqz s TYR 66 N -3.81 1.18 0.18 0.91 1.51 -0.84 -0.75 117.35 115.73 1hqz s TYR 66 Ca 0.33 -0.30 0.11 0.00 -1.01 0.00 0.00 57.07 56.20 1hqz s TYR 66 Cb 0.07 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1hqz s TYR 66 CO 0.10 -0.11 -0.22 0.20 -1.11 0.00 0.00 175.55 174.40 1hqz s GLY 67 N 0.11 1.70 -0.03 0.71 0.00 -0.24 0.09 107.32 109.67 1hqz s GLY 67 Ca -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1hqz s GLY 67 CO 0.01 -1.62 0.02 -2.27 0.00 0.00 0.00 173.10 169.24 1hqz s LEU 68 N -2.63 1.06 -0.05 0.66 2.96 0.12 -0.69 118.68 120.12 1hqz s LEU 68 Ca 0.21 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1hqz s LEU 68 Cb -0.08 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.49 1hqz s LEU 68 CO 0.10 -0.12 0.20 0.00 -1.32 0.00 0.00 176.35 175.21 1hqz s ALA 69 N 1.11 -0.50 -0.29 5.97 0.00 -0.38 -0.02 121.76 127.65 1hqz s ALA 69 Ca -0.09 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1hqz s ALA 69 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1hqz s ALA 69 CO -0.03 -0.15 0.12 0.50 0.00 0.00 0.00 175.76 176.20 1hqz s ARG 70 N -0.51 3.45 0.06 0.00 3.52 0.92 -1.00 118.95 125.39 1hqz s ARG 70 Ca -0.06 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1hqz s ARG 70 Cb -0.04 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1hqz s ARG 70 CO 0.01 -0.33 -0.11 0.08 -0.81 0.00 0.00 175.30 174.14 1hqz s VAL 71 N 1.61 0.82 -0.30 7.11 1.01 0.69 -4.85 120.40 126.48 1hqz s VAL 71 Ca 0.05 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1hqz s VAL 71 Cb -0.16 -0.84 0.08 0.00 0.00 0.00 0.00 36.38 35.46 1hqz s VAL 71 CO 0.05 -0.31 0.00 -0.55 0.00 0.00 0.00 175.10 174.29 1hqz s SER 72 N -1.66 4.44 0.56 3.32 0.15 -1.26 0.17 113.70 119.41 1hqz s SER 72 Ca -0.06 -1.74 -0.21 0.00 0.70 0.00 0.00 55.95 54.64 1hqz s SER 72 Cb -0.10 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1hqz s SER 72 CO 0.01 -0.31 1.32 -2.16 1.20 0.00 0.00 173.24 173.30 1hqz s PRO 73 N 1.13 3.06 0.02 5.44 0.04 -1.26 -4.88 135.00 138.54 1hqz s PRO 73 Ca 0.03 2.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1hqz s PRO 73 Cb -0.19 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1hqz s PRO 73 CO -0.09 -1.23 1.71 -2.14 0.04 0.00 0.00 177.00 175.29 1hqz s PRO 74 N -3.01 4.18 0.00 0.56 0.02 -1.26 -3.05 135.00 132.44 1hqz s PRO 74 Ca 0.74 2.33 0.00 0.00 0.02 0.00 0.00 61.00 64.09 1hqz s PRO 74 Cb -0.38 -3.83 0.00 0.00 0.02 0.00 0.00 34.50 30.30 1hqz s PRO 74 CO 0.44 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 1hqz n GLY 75 N 4.14 0.90 3.82 0.52 0.00 -1.26 -5.12 105.19 108.18 1hqz n GLY 75 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1hqz n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hqz s SER 76 N -0.09 -0.20 0.00 1.61 1.04 -1.17 -5.03 113.70 109.85 1hqz s SER 76 Ca 0.00 -0.71 0.22 0.00 0.48 0.00 0.00 55.95 55.93 1hqz s SER 76 Cb 0.00 0.72 0.28 0.00 0.10 0.00 0.00 66.02 67.12 1hqz s SER 76 CO 0.00 -1.36 1.27 0.47 0.98 0.00 0.00 173.24 174.60 1hqz n ASP 77 N -0.55 3.06 -4.73 7.02 10.43 -1.26 -4.65 116.55 125.87 1hqz n ASP 77 Ca -0.04 -1.93 -0.42 0.00 2.57 0.00 0.00 54.79 54.97 1hqz n ASP 77 Cb 0.59 -0.11 -0.03 0.00 1.84 0.00 0.00 41.12 43.41 1hqz n ASP 77 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1hqz s VAL 78 N -1.61 3.28 -0.19 2.53 0.11 -1.26 -5.00 120.40 118.26 1hqz s VAL 78 Ca 0.30 0.99 -0.06 0.00 -2.93 0.00 0.00 61.98 60.28 1hqz s VAL 78 Cb 0.19 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1hqz s VAL 78 CO 0.28 0.12 0.04 -1.61 -3.33 0.00 0.00 175.10 170.60 1hqz s GLU 79 N 0.43 3.84 0.24 1.54 0.41 -1.26 -4.30 118.70 119.59 1hqz s GLU 79 Ca 0.60 -0.41 0.08 0.00 -0.41 0.00 0.00 54.97 54.83 1hqz s GLU 79 Cb -0.36 -3.17 -0.05 0.00 -1.78 0.00 0.00 34.13 28.77 1hqz s GLU 79 CO 0.35 0.17 -0.14 0.15 -0.49 0.00 0.00 175.26 175.30 1hqz s LYS 80 N 0.63 1.45 -0.15 1.61 1.02 0.13 -4.91 119.74 119.52 1hqz s LYS 80 Ca 0.02 -1.67 -0.05 0.00 0.02 0.00 0.00 55.97 54.29 1hqz s LYS 80 Cb -0.13 -1.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 1hqz s LYS 80 CO 0.02 0.18 0.00 0.42 -0.92 0.00 0.00 175.35 175.05 1hqz s ILE 81 N -2.88 4.25 -0.01 2.17 1.09 -1.26 -0.22 121.20 124.33 1hqz s ILE 81 Ca 0.26 -0.24 0.07 0.00 -1.10 0.00 0.00 60.65 59.64 1hqz s ILE 81 Cb -0.01 -2.87 -0.02 0.00 -1.06 0.00 0.00 42.46 38.51 1hqz s ILE 81 CO 0.10 0.50 -0.24 -0.51 -0.10 0.00 0.00 174.94 174.69 1hqz s ILE 82 N 0.17 1.87 0.01 2.92 2.07 -0.17 0.78 121.20 128.86 1hqz s ILE 82 Ca 0.01 -1.04 0.08 0.00 -1.41 0.00 0.00 60.65 58.30 1hqz s ILE 82 Cb -0.13 -1.56 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 1hqz s ILE 82 CO 0.02 0.51 -0.26 0.27 -1.91 0.00 0.00 174.94 173.57 1hqz s ILE 83 N -0.58 2.04 -0.11 2.00 -4.36 -0.10 -1.25 121.20 118.84 1hqz s ILE 83 Ca 0.09 -1.23 0.02 0.00 -0.26 0.00 0.00 60.65 59.27 1hqz s ILE 83 Cb -0.09 -1.72 0.01 0.00 1.25 0.00 0.00 42.46 41.91 1hqz s ILE 83 CO -0.01 0.45 -0.19 -0.63 0.24 0.00 0.00 174.94 174.81 1hqz s ILE 84 N -0.70 1.74 -0.49 8.37 1.01 0.13 -1.86 121.20 129.40 1hqz s ILE 84 Ca 0.11 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1hqz s ILE 84 Cb -0.10 -1.55 0.08 0.00 0.01 0.00 0.00 42.46 40.90 1hqz s ILE 84 CO 0.01 0.49 0.44 -0.83 0.00 0.00 0.00 174.94 175.05 1hqz s GLY 85 N 0.79 2.01 -0.37 6.18 0.00 0.34 -1.07 107.32 115.19 1hqz s GLY 85 Ca -0.10 -2.12 -0.18 0.00 0.00 0.00 0.00 44.72 42.32 1hqz s GLY 85 CO 0.01 1.14 0.49 0.86 0.00 0.00 0.00 173.10 175.59 1hqz s TRP 86 N 1.79 3.17 -0.53 1.90 -0.11 0.07 -0.45 118.94 124.78 1hqz s TRP 86 Ca 0.05 0.03 0.05 0.00 1.22 0.00 0.00 56.10 57.46 1hqz s TRP 86 Cb -0.24 -2.92 0.19 0.00 -1.50 0.00 0.00 33.47 28.99 1hqz s TRP 86 CO 0.07 -0.58 0.45 0.00 -4.62 0.00 0.00 176.95 172.27 1hqz s PRO 88 N -0.83 3.05 0.32 0.00 0.04 -1.26 -4.55 135.00 131.75 1hqz s PRO 88 Ca 0.31 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.02 1hqz s PRO 88 Cb 0.04 -1.96 0.59 0.00 0.04 0.00 0.00 34.50 33.21 1hqz s PRO 88 CO -0.16 -1.10 1.92 -0.44 0.04 0.00 0.00 177.00 177.26 1hqz h ASP 89 N 0.78 0.84 0.64 6.66 3.32 -1.82 -2.50 116.42 124.35 1hqz h ASP 89 Ca -0.49 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1hqz h ASP 89 Cb 1.27 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1hqz h ASP 89 CO 0.55 0.54 0.00 -1.20 -1.72 0.00 0.00 179.24 177.41 1hqz n SER 90 N -4.49 0.00 -4.75 6.45 7.64 -1.25 -4.84 113.62 112.38 1hqz n SER 90 Ca 0.13 0.44 -0.35 0.00 1.01 0.00 0.00 58.87 60.10 1hqz n SER 90 Cb 0.21 -0.47 0.04 0.00 -1.01 0.00 0.00 64.21 62.98 1hqz n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hqz s ALA 91 N -2.95 2.46 0.19 -0.43 0.00 -0.94 -4.79 121.76 115.30 1hqz s ALA 91 Ca 0.11 0.85 -0.32 0.00 0.00 0.00 0.00 51.96 52.59 1hqz s ALA 91 Cb 0.13 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 1hqz s ALA 91 CO 0.35 -1.28 1.28 -0.35 0.00 0.00 0.00 175.76 175.76 1hqz n PRO 92 N -1.97 1.51 -0.33 0.00 -0.04 -1.26 -4.76 135.00 128.15 1hqz n PRO 92 Ca 0.13 0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1hqz n PRO 92 Cb 0.50 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 1hqz n PRO 92 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1hqz n LEU 93 N 2.16 -0.82 -0.11 1.53 7.94 -1.26 -1.19 117.00 125.24 1hqz n LEU 93 Ca 0.14 1.57 0.15 0.00 -1.11 0.00 0.00 56.01 56.76 1hqz n LEU 93 Cb 0.27 -0.27 0.53 0.00 0.53 0.00 0.00 43.42 44.48 1hqz n LEU 93 CO 0.62 -1.22 1.20 0.11 -1.11 0.00 0.00 177.39 176.99 1hqz h LYS 94 N 0.00 0.34 -0.02 1.96 1.57 -1.99 -1.12 116.57 117.31 1hqz h LYS 94 Ca 0.12 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.69 1hqz h LYS 94 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1hqz h LYS 94 CO -0.73 0.22 -0.84 1.79 -0.57 0.00 0.00 179.45 179.32 1hqz h THR 95 N 0.35 1.45 -0.05 -0.16 1.35 -1.51 -2.79 112.91 111.55 1hqz h THR 95 Ca 0.32 -2.45 -0.12 0.00 -0.55 0.00 0.00 66.41 63.62 1hqz h THR 95 Cb 0.78 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 1hqz h THR 95 CO -0.09 0.72 -0.52 0.03 -0.25 0.00 0.00 175.52 175.42 1hqz h ARG 96 N 0.16 0.13 0.00 4.72 3.08 -0.64 -1.90 114.38 119.93 1hqz h ARG 96 Ca -0.05 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1hqz h ARG 96 Cb 1.45 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1hqz h ARG 96 CO 0.13 0.62 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1hqz h ALA 97 N 1.37 1.00 -0.02 0.04 0.00 -1.16 -3.02 119.26 117.47 1hqz h ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hqz h ALA 97 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1hqz h ALA 97 CO 0.07 0.00 -0.20 0.43 0.00 0.00 0.00 179.25 179.55 1hqz n SER 98 N -2.78 2.09 0.00 0.00 7.64 -1.02 -4.66 113.62 114.89 1hqz n SER 98 Ca 0.03 -1.55 -0.10 0.00 1.01 0.00 0.00 58.87 58.26 1hqz n SER 98 Cb 0.39 0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 1hqz n SER 98 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1hqz h PHE 99 N 2.71 -0.70 -0.68 1.43 3.57 -1.22 0.90 116.94 122.95 1hqz h PHE 99 Ca 0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1hqz h PHE 99 Cb 0.68 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.67 1hqz h PHE 99 CO 0.00 -0.34 0.29 0.00 -2.23 0.00 0.00 178.31 176.03 1hqz h ALA 100 N 0.58 0.92 -0.18 2.41 0.00 -1.83 0.41 119.26 121.57 1hqz h ALA 100 Ca 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1hqz h ALA 100 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1hqz h ALA 100 CO -0.31 -0.15 -0.05 0.00 0.00 0.00 0.00 179.25 178.74 1hqz h ALA 101 N 1.45 0.25 -0.14 0.00 0.00 -1.77 -2.80 119.26 116.25 1hqz h ALA 101 Ca 0.35 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1hqz h ALA 101 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hqz h ALA 101 CO -0.32 0.02 -0.42 -0.91 0.00 0.00 0.00 179.25 177.63 1hqz h ASN 102 N 0.06 0.34 -0.53 0.00 2.35 -0.18 -2.11 115.58 115.50 1hqz h ASN 102 Ca 0.04 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1hqz h ASN 102 Cb 0.49 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1hqz h ASN 102 CO 0.02 0.72 -0.08 0.15 -1.65 0.00 0.00 177.43 176.59 1hqz h PHE 103 N 0.27 1.10 -0.65 1.19 3.57 -0.25 -0.47 116.94 121.71 1hqz h PHE 103 Ca 0.02 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.31 1hqz h PHE 103 Cb 0.85 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1hqz h PHE 103 CO 0.02 1.03 0.43 0.00 -2.23 0.00 0.00 178.31 177.56 1hqz h ALA 104 N 0.92 0.83 -0.38 2.41 0.00 -1.28 -0.32 119.26 121.44 1hqz h ALA 104 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hqz h ALA 104 Cb 0.64 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1hqz h ALA 104 CO 0.04 0.26 0.24 0.00 0.00 0.00 0.00 179.25 179.79 1hqz h ALA 105 N 1.24 0.48 -0.86 0.00 0.00 -0.91 0.12 119.26 119.32 1hqz h ALA 105 Ca 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1hqz h ALA 105 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1hqz h ALA 105 CO -0.05 -0.04 0.43 0.28 0.00 0.00 0.00 179.25 179.87 1hqz h VAL 106 N 0.50 1.26 -0.09 0.00 2.07 -0.69 0.25 116.25 119.55 1hqz h VAL 106 Ca 0.14 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 1hqz h VAL 106 Cb -0.03 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1hqz h VAL 106 CO -0.03 0.30 -0.59 0.00 0.02 0.00 0.00 177.57 177.28 1hqz h ALA 107 N 1.23 0.83 0.00 1.67 0.00 -0.66 0.18 119.26 122.52 1hqz h ALA 107 Ca 0.30 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 1hqz h ALA 107 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1hqz h ALA 107 CO -0.04 0.71 -1.64 0.09 0.00 0.00 0.00 179.25 178.38 1hqz n ASN 108 N -3.89 0.80 -0.01 0.00 3.02 -0.01 -4.17 115.26 110.99 1hqz n ASN 108 Ca -0.02 0.37 -0.01 0.00 -0.03 0.00 0.00 54.58 54.89 1hqz n ASN 108 Cb 0.61 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.87 1hqz n ASN 108 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hqz n ASN 109 N -2.95 3.97 -0.02 6.41 3.02 0.87 -4.83 115.26 121.73 1hqz n ASN 109 Ca -0.15 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.38 1hqz n ASN 109 Cb 0.96 0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 40.91 1hqz n ASN 109 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1hqz n LEU 110 N -2.00 0.49 -3.09 3.41 7.94 -0.73 -4.74 117.00 118.27 1hqz n LEU 110 Ca -0.05 0.08 -0.35 0.00 -1.11 0.00 0.00 56.01 54.58 1hqz n LEU 110 Cb 0.48 -0.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.94 1hqz n LEU 110 CO 0.09 -0.47 2.09 0.49 -1.11 0.00 0.00 177.39 178.48 1hqz n PHE 111 N -2.98 2.19 -1.99 1.96 0.99 0.56 -4.99 117.46 113.19 1hqz n PHE 111 Ca -0.03 -2.47 -0.34 0.00 -0.00 0.00 0.00 57.45 54.60 1hqz n PHE 111 Cb 0.11 -1.66 0.03 0.00 -1.00 0.00 0.00 39.48 36.96 1hqz n PHE 111 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1hqz s LYS 112 N -1.34 3.02 0.00 -1.08 1.02 -1.26 -4.10 119.74 116.00 1hqz s LYS 112 Ca 0.56 1.57 0.00 0.00 0.02 0.00 0.00 55.97 58.12 1hqz s LYS 112 Cb 0.26 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1hqz s LYS 112 CO -0.14 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 173.59 1hqz n GLY 113 N -0.03 0.87 3.84 -3.33 0.00 -1.26 -5.08 105.19 100.19 1hqz n GLY 113 Ca 0.12 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1hqz n GLY 113 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hqz s TYR 114 N -2.00 3.34 -0.18 1.61 -0.85 -1.26 -4.71 117.35 113.30 1hqz s TYR 114 Ca 0.00 1.41 0.16 0.00 -0.52 0.00 0.00 57.07 58.12 1hqz s TYR 114 Cb 0.00 -2.69 -0.24 0.00 0.38 0.00 0.00 41.96 39.41 1hqz s TYR 114 CO 0.00 -0.01 0.13 0.72 -1.52 0.00 0.00 175.55 174.87 1hqz n HIS 115 N -0.50 0.13 -4.41 -3.49 8.25 0.23 -4.54 115.22 110.89 1hqz n HIS 115 Ca 0.05 0.05 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 1hqz n HIS 115 Cb 0.54 -1.02 -0.15 0.00 1.12 0.00 0.00 29.99 30.47 1hqz n HIS 115 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hqz s VAL 116 N -2.50 0.81 -0.12 1.59 1.01 -0.63 -4.54 120.40 116.01 1hqz s VAL 116 Ca -0.11 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1hqz s VAL 116 Cb 0.06 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1hqz s VAL 116 CO 0.82 0.25 -0.16 -1.58 0.00 0.00 0.00 175.10 174.43 1hqz s GLN 117 N 0.12 2.32 0.02 2.72 0.74 -1.26 -0.92 119.66 123.39 1hqz s GLN 117 Ca -0.02 -0.59 0.06 0.00 0.05 0.00 0.00 55.36 54.86 1hqz s GLN 117 Cb -0.08 -2.01 -0.02 0.00 1.10 0.00 0.00 33.01 32.00 1hqz s GLN 117 CO 0.00 -0.11 -0.17 0.08 -0.55 0.00 0.00 175.29 174.54 1hqz s VAL 118 N 1.13 1.38 -0.17 1.34 1.01 -0.78 -5.00 120.40 119.31 1hqz s VAL 118 Ca -0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1hqz s VAL 118 Cb -0.14 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1hqz s VAL 118 CO -0.04 0.20 0.00 -0.89 0.00 0.00 0.00 175.10 174.37 1hqz s THR 119 N -0.67 4.24 0.06 3.92 2.01 -1.26 -0.51 115.64 123.43 1hqz s THR 119 Ca 0.05 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1hqz s THR 119 Cb -0.08 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1hqz s THR 119 CO 0.01 0.47 -0.13 0.00 -0.69 0.00 0.00 174.62 174.28 1hqz s ALA 120 N 0.44 1.05 0.00 7.40 0.00 0.41 -4.94 121.76 126.11 1hqz s ALA 120 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1hqz s ALA 120 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1hqz s ALA 120 CO 0.02 0.13 0.00 0.54 0.00 0.00 0.00 175.76 176.45 1hqz n ARG 121 N 1.32 2.98 -3.93 0.00 1.74 -1.26 -0.54 116.66 116.97 1hqz n ARG 121 Ca -0.22 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.75 1hqz n ARG 121 Cb 0.54 -0.94 -0.00 0.00 -1.02 0.00 0.00 32.46 31.04 1hqz n ARG 121 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1hqz s ASP 122 N -2.57 0.41 0.54 0.55 1.47 -1.26 -4.22 116.67 111.58 1hqz s ASP 122 Ca 0.00 -1.29 0.23 0.00 1.18 0.00 0.00 52.55 52.67 1hqz s ASP 122 Cb 0.00 0.77 1.39 0.00 -0.34 0.00 0.00 42.92 44.75 1hqz s ASP 122 CO 0.00 -1.52 2.06 -0.33 0.68 0.00 0.00 175.17 176.05 1hqz h GLU 123 N 2.04 0.00 0.00 2.11 3.07 -1.95 -0.55 114.58 119.31 1hqz h GLU 123 Ca -0.30 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 1hqz h GLU 123 Cb 1.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1hqz h GLU 123 CO 0.40 0.00 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.46 1hqz h ASP 124 N 0.00 0.00 0.44 1.42 3.45 -1.99 -0.95 116.42 118.79 1hqz h ASP 124 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1hqz h ASP 124 Cb 0.63 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1hqz h ASP 124 CO -0.00 0.10 -0.09 0.47 -1.57 0.00 0.00 179.24 178.15 1hqz n ASP 125 N -3.39 0.33 -2.31 6.45 8.00 -0.21 -3.91 116.55 121.51 1hqz n ASP 125 Ca -0.01 -0.42 -0.25 0.00 0.71 0.00 0.00 54.79 54.82 1hqz n ASP 125 Cb 0.28 -0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.26 1hqz n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1hqz n LEU 126 N -1.08 4.69 -4.68 0.64 4.77 -0.36 -4.88 117.00 116.10 1hqz n LEU 126 Ca 0.14 -4.98 -0.42 0.00 -0.03 0.00 0.00 56.01 50.72 1hqz n LEU 126 Cb 0.27 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1hqz n LEU 126 CO 0.24 2.16 1.03 -0.62 -1.33 0.00 0.00 177.39 178.87 1hqz s ASP 127 N -3.56 6.97 0.24 -1.43 2.15 -1.24 -4.93 116.67 114.87 1hqz s ASP 127 Ca 0.48 1.84 -0.05 0.00 0.43 0.00 0.00 52.55 55.25 1hqz s ASP 127 Cb 0.40 -2.55 0.39 0.00 -0.30 0.00 0.00 42.92 40.86 1hqz s ASP 127 CO -0.09 -0.67 1.77 -0.08 -0.17 0.00 0.00 175.17 175.93 1hqz h GLU 128 N 7.81 0.58 -0.42 4.34 4.81 -1.96 -2.09 114.58 127.66 1hqz h GLU 128 Ca -0.33 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.72 1hqz h GLU 128 Cb 1.15 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1hqz h GLU 128 CO 0.91 0.38 -0.32 -0.91 -0.73 0.00 0.00 179.01 178.34 1hqz h ASN 129 N 0.60 1.00 -0.73 1.04 2.35 -1.99 -0.80 115.58 117.05 1hqz h ASN 129 Ca 0.38 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1hqz h ASN 129 Cb 0.45 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1hqz h ASN 129 CO -0.30 1.23 0.48 -0.08 -1.65 0.00 0.00 177.43 177.11 1hqz h GLU 130 N 0.79 0.95 -0.16 0.81 4.57 -1.88 -2.00 114.58 117.66 1hqz h GLU 130 Ca 0.08 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.01 1hqz h GLU 130 Cb 0.91 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1hqz h GLU 130 CO 0.08 0.63 -0.68 -0.07 -1.18 0.00 0.00 179.01 177.79 1hqz h LEU 131 N 0.97 0.76 -1.86 1.64 3.38 -1.27 -2.32 115.31 116.61 1hqz h LEU 131 Ca 0.27 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1hqz h LEU 131 Cb -0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1hqz h LEU 131 CO -0.06 1.23 -0.13 -0.07 0.09 0.00 0.00 178.44 179.49 1hqz h LEU 132 N 0.47 0.00 -0.06 1.67 3.38 -0.92 0.26 115.31 120.11 1hqz h LEU 132 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1hqz h LEU 132 Cb 1.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1hqz h LEU 132 CO 0.13 0.13 -0.44 -0.03 0.09 0.00 0.00 178.44 178.33 1hqz h MET 133 N 0.00 0.39 -0.72 1.13 4.05 -1.14 -1.71 114.93 116.94 1hqz h MET 133 Ca -0.00 -0.35 -0.02 0.00 -0.28 0.00 0.00 59.70 59.05 1hqz h MET 133 Cb 0.29 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 1hqz h MET 133 CO 0.02 1.00 0.36 0.87 0.23 0.00 0.00 176.91 179.38 1hqz h LYS 134 N -0.09 1.01 -0.43 0.39 1.57 -0.84 -0.93 116.57 117.25 1hqz h LYS 134 Ca -0.04 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1hqz h LYS 134 Cb 1.11 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1hqz h LYS 134 CO 0.09 0.77 -0.00 0.82 -0.57 0.00 0.00 179.45 180.56 1hqz h ILE 135 N 1.01 1.26 -0.42 1.86 2.04 -0.95 -2.26 117.51 120.04 1hqz h ILE 135 Ca 0.25 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 1hqz h ILE 135 Cb 0.08 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1hqz h ILE 135 CO -0.03 0.35 0.00 -1.28 0.00 0.00 0.00 178.15 177.19 1hqz h SER 136 N 0.60 0.64 -0.27 1.72 0.87 -0.82 -2.69 113.55 113.60 1hqz h SER 136 Ca 0.12 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1hqz h SER 136 Cb 0.49 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1hqz h SER 136 CO 0.02 0.71 0.00 0.59 -0.53 0.00 0.00 176.83 177.63 1hqz n ASN 137 N -4.24 1.72 -4.78 6.23 3.02 -0.40 -4.96 115.26 111.84 1hqz n ASN 137 Ca 0.02 -1.88 -0.34 0.00 -0.03 0.00 0.00 54.58 52.35 1hqz n ASN 137 Cb 0.27 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 1hqz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqz s ALA 138 N -1.65 2.75 0.52 5.41 0.00 -0.87 -5.05 121.76 122.87 1hqz s ALA 138 Ca 0.26 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1hqz s ALA 138 Cb 0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1hqz s ALA 138 CO 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 175.76 175.32 1hqz n ALA 139 N -1.31 0.00 -1.04 0.00 0.00 -1.26 -5.07 120.51 111.82 1hqz n ALA 139 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 1hqz n ALA 139 Cb 0.52 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.14 1hqz n ALA 139 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1hqz s GLY 140 N -1.25 1.59 0.00 0.00 0.00 -1.26 -4.88 107.32 101.52 1hqz s GLY 140 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1hqz s GLY 140 CO 0.00 0.41 0.43 0.00 0.00 0.00 0.00 173.10 173.95