#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqz s LEU 3 N 0.00 3.76 -1.16 0.00 1.98 -1.26 -4.93 118.68 117.07 1hqz s LEU 3 Ca 0.00 1.79 -0.12 0.00 -2.89 0.00 0.00 54.13 52.91 1hqz s LEU 3 Cb 0.00 -3.52 0.21 0.00 0.66 0.00 0.00 46.19 43.54 1hqz s LEU 3 CO 0.00 -1.53 1.29 -0.70 -1.89 0.00 0.00 176.35 173.52 1hqz s GLU 4 N 5.35 4.12 0.23 1.98 2.12 -1.26 -5.03 118.70 126.20 1hqz s GLU 4 Ca 0.84 -2.81 -0.30 0.00 0.36 0.00 0.00 54.97 53.07 1hqz s GLU 4 Cb -0.29 -4.86 -0.15 0.00 0.26 0.00 0.00 34.13 29.09 1hqz s GLU 4 CO 0.34 -1.56 0.94 -0.35 -0.54 0.00 0.00 175.26 174.09 1hqz n PRO 5 N 4.51 0.94 -2.44 4.30 -0.04 -1.26 -4.95 135.00 136.06 1hqz n PRO 5 Ca 0.31 0.33 -0.38 0.00 -0.04 0.00 0.00 63.50 63.72 1hqz n PRO 5 Cb 0.42 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 1hqz n PRO 5 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1hqz s ILE 6 N -0.77 3.47 -0.45 0.52 2.07 -1.26 -5.03 121.20 119.75 1hqz s ILE 6 Ca 0.65 1.26 -0.06 0.00 -1.41 0.00 0.00 60.65 61.09 1hqz s ILE 6 Cb -0.82 -3.71 0.12 0.00 0.13 0.00 0.00 42.46 38.18 1hqz s ILE 6 CO 0.57 0.13 0.28 -0.62 -1.91 0.00 0.00 174.94 173.39 1hqz s ASP 7 N -1.23 5.45 -0.07 4.50 2.15 -1.26 -4.87 116.67 121.34 1hqz s ASP 7 Ca 0.54 -2.04 0.11 0.00 0.43 0.00 0.00 52.55 51.59 1hqz s ASP 7 Cb -0.28 -1.91 0.31 0.00 -0.30 0.00 0.00 42.92 40.74 1hqz s ASP 7 CO 0.35 -0.60 1.24 0.00 -0.17 0.00 0.00 175.17 175.99 1hqz n TYR 8 N 4.65 0.44 -0.08 -5.34 0.18 -1.26 -1.14 117.16 114.60 1hqz n TYR 8 Ca -0.04 -0.68 -0.08 0.00 1.88 0.00 0.00 57.90 58.98 1hqz n TYR 8 Cb 0.41 -0.13 -0.12 0.00 -0.38 0.00 0.00 39.34 39.11 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 -0.28 1.06 -0.23 -3.48 -2.24 -1.26 -4.00 114.28 103.86 1hqz n THR 9 Ca 0.13 -0.66 0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1hqz n THR 9 Cb 0.56 -0.58 0.43 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.82 -0.89 4.28 2.02 -1.89 -1.67 112.91 115.58 1hqz h THR 10 Ca -0.42 -0.20 -0.55 0.00 0.77 0.00 0.00 66.41 66.01 1hqz h THR 10 Cb 1.95 0.18 -0.43 0.00 -1.74 0.00 0.00 68.15 68.12 1hqz h THR 10 CO 0.02 0.11 -0.81 1.41 0.37 0.00 0.00 175.52 176.62 1hqz n HIS 11 N -4.53 2.83 -0.34 3.16 8.25 -1.26 -4.81 115.22 118.52 1hqz n HIS 11 Ca 0.16 -2.39 0.05 0.00 -0.26 0.00 0.00 57.72 55.29 1hqz n HIS 11 Cb 0.49 -0.29 0.21 0.00 1.12 0.00 0.00 29.99 31.52 1hqz n HIS 11 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1hqz h SER 12 N 2.27 0.85 -0.02 0.41 0.87 -1.43 -2.40 113.55 114.09 1hqz h SER 12 Ca 0.34 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1hqz h SER 12 Cb 1.42 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 1hqz h SER 12 CO 0.76 0.47 -0.06 -0.09 -0.53 0.00 0.00 176.83 177.38 1hqz h ARG 13 N 0.94 -0.09 -0.45 2.24 2.43 -1.87 0.12 114.38 117.70 1hqz h ARG 13 Ca 0.46 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.49 1hqz h ARG 13 Cb 0.42 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1hqz h ARG 13 CO -0.25 -0.06 -0.26 0.93 -1.51 0.00 0.00 179.97 178.82 1hqz h GLU 14 N -0.09 0.97 0.08 0.20 3.07 -1.92 -2.73 114.58 114.15 1hqz h GLU 14 Ca 0.03 -0.44 -0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1hqz h GLU 14 Cb 0.13 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1hqz h GLU 14 CO -0.08 1.11 -0.04 0.82 -1.40 0.00 0.00 179.01 179.43 1hqz h ILE 15 N 0.81 1.16 -0.74 3.13 2.04 -1.30 -2.99 117.51 119.62 1hqz h ILE 15 Ca 0.09 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1hqz h ILE 15 Cb 0.85 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 1hqz h ILE 15 CO 0.07 0.22 0.49 0.44 0.00 0.00 0.00 178.15 179.38 1hqz h ASP 16 N -0.52 0.84 0.27 1.72 3.32 -0.85 0.71 116.42 121.90 1hqz h ASP 16 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1hqz h ASP 16 Cb 0.44 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1hqz h ASP 16 CO 0.02 0.60 -0.13 0.00 -1.72 0.00 0.00 179.24 178.01 1hqz h ALA 17 N 1.54 -0.36 -0.58 3.45 0.00 -1.49 0.12 119.26 121.94 1hqz h ALA 17 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1hqz h ALA 17 Cb -0.08 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1hqz h ALA 17 CO -0.06 -0.70 0.27 0.93 0.00 0.00 0.00 179.25 179.69 1hqz h GLU 18 N -0.36 0.84 -0.79 0.00 4.39 -1.33 -2.35 114.58 114.99 1hqz h GLU 18 Ca -0.04 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.60 1hqz h GLU 18 Cb 0.27 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1hqz h GLU 18 CO 0.06 0.69 0.47 -0.92 -1.16 0.00 0.00 179.01 178.15 1hqz h TYR 19 N 0.79 0.85 -0.37 4.33 3.20 -0.54 -2.15 116.97 123.09 1hqz h TYR 19 Ca 0.20 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 1hqz h TYR 19 Cb 0.13 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1hqz h TYR 19 CO 0.00 0.40 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.55 1hqz h LEU 20 N 0.83 0.84 -0.48 2.82 3.38 -0.49 -1.90 115.31 120.31 1hqz h LEU 20 Ca 0.36 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1hqz h LEU 20 Cb 0.23 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1hqz h LEU 20 CO -0.20 1.08 0.10 0.11 0.09 0.00 0.00 178.44 179.62 1hqz h LYS 21 N 0.68 0.22 0.32 1.13 1.57 -0.88 0.93 116.57 120.55 1hqz h LYS 21 Ca 0.08 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1hqz h LYS 21 Cb 0.85 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1hqz h LYS 21 CO 0.07 0.15 -0.16 0.82 -0.57 0.00 0.00 179.45 179.77 1hqz h ILE 22 N 0.23 0.64 0.00 1.86 2.04 -1.25 0.19 117.51 121.22 1hqz h ILE 22 Ca 0.24 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1hqz h ILE 22 Cb 0.31 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1hqz h ILE 22 CO -0.31 0.11 -0.19 -0.37 0.00 0.00 0.00 178.15 177.40 1hqz h VAL 23 N -0.81 0.99 0.00 1.67 -1.51 -1.28 -2.17 116.25 113.15 1hqz h VAL 23 Ca -0.04 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1hqz h VAL 23 Cb 0.52 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1hqz h VAL 23 CO 0.07 0.18 -0.68 0.03 -1.23 0.00 0.00 177.57 175.94 1hqz h ARG 24 N 0.00 0.00 -6.06 5.19 3.08 -0.82 -3.48 114.38 112.29 1hqz h ARG 24 Ca -0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.62 1hqz h ARG 24 Cb 0.36 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.47 1hqz h ARG 24 CO 0.02 0.00 -0.77 0.41 -1.07 0.00 0.00 179.97 178.56 1hqz n GLY 25 N 1.29 -0.42 0.61 0.04 0.00 0.59 -4.88 105.19 102.42 1hqz n GLY 25 Ca 0.03 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.98 2.00 -3.35 1.61 3.41 -0.82 -4.80 113.62 108.69 1hqz n SER 26 Ca -0.13 -1.58 -0.11 0.00 -0.26 0.00 0.00 58.87 56.79 1hqz n SER 26 Cb 0.60 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.14 0.69 0.58 4.04 2.15 -1.26 -5.02 116.67 115.72 1hqz s ASP 27 Ca 0.30 -0.28 0.25 0.00 0.43 0.00 0.00 52.55 53.25 1hqz s ASP 27 Cb 0.20 0.93 1.38 0.00 -0.30 0.00 0.00 42.92 45.14 1hqz s ASP 27 CO 0.38 -0.34 1.76 1.55 -0.17 0.00 0.00 175.17 178.34 1hqz h PRO 28 N 8.20 0.00 0.00 4.34 0.13 -1.95 0.17 132.00 142.89 1hqz h PRO 28 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1hqz h PRO 28 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1hqz h PRO 28 CO 0.28 0.00 -0.46 -0.44 -0.23 0.00 0.00 178.00 177.15 1hqz h ASP 29 N 0.00 0.00 -3.69 1.44 3.45 -1.95 -3.42 116.42 112.25 1hqz h ASP 29 Ca 0.00 -0.01 -0.63 0.00 0.43 0.00 0.00 57.03 56.82 1hqz h ASP 29 Cb 0.67 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.04 1hqz h ASP 29 CO 0.00 0.01 -0.71 -0.89 -1.57 0.00 0.00 179.24 176.08 1hqz s THR 30 N -3.27 1.87 -0.36 0.35 2.01 0.61 -3.40 115.64 113.44 1hqz s THR 30 Ca 0.04 -2.40 0.04 0.00 0.31 0.00 0.00 61.69 59.67 1hqz s THR 30 Cb 0.08 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1hqz s THR 30 CO 0.72 -0.72 0.43 0.35 -0.69 0.00 0.00 174.62 174.71 1hqz n THR 31 N 3.98 0.00 -3.87 -0.82 -2.24 0.19 -4.27 114.28 107.25 1hqz n THR 31 Ca 0.04 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 1hqz n THR 31 Cb 0.38 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.72 0.15 -0.10 4.78 1.48 -0.91 -0.07 118.94 123.56 1hqz s TRP 32 Ca 0.03 -0.54 -0.12 0.00 -1.06 0.00 0.00 56.10 54.41 1hqz s TRP 32 Cb 0.03 -0.08 0.03 0.00 -1.16 0.00 0.00 33.47 32.29 1hqz s TRP 32 CO 0.08 -0.50 0.33 -1.17 -4.06 0.00 0.00 176.95 171.64 1hqz s LEU 33 N -2.64 0.75 -0.11 -4.66 2.96 0.13 -2.62 118.68 112.48 1hqz s LEU 33 Ca 0.02 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1hqz s LEU 33 Cb 0.03 1.18 0.02 0.00 0.50 0.00 0.00 46.19 47.93 1hqz s LEU 33 CO -0.09 -0.19 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.02 1hqz s ILE 34 N -0.17 1.18 -0.09 6.68 1.01 -0.51 -0.09 121.20 129.20 1hqz s ILE 34 Ca -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1hqz s ILE 34 Cb -0.03 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1hqz s ILE 34 CO 0.01 0.39 0.05 0.27 0.00 0.00 0.00 174.94 175.66 1hqz s ILE 35 N 1.45 4.74 0.06 2.92 -4.36 0.24 -0.33 121.20 125.91 1hqz s ILE 35 Ca 0.01 -0.11 0.01 0.00 -0.26 0.00 0.00 60.65 60.29 1hqz s ILE 35 Cb -0.13 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 1hqz s ILE 35 CO -0.06 0.59 -0.05 -0.55 0.24 0.00 0.00 174.94 175.10 1hqz s SER 36 N -1.01 0.73 0.24 4.36 0.15 -0.06 -2.47 113.70 115.64 1hqz s SER 36 Ca 0.15 -0.83 -0.30 0.00 0.70 0.00 0.00 55.95 55.67 1hqz s SER 36 Cb -0.12 0.12 -0.09 0.00 -1.71 0.00 0.00 66.02 64.22 1hqz s SER 36 CO 0.04 -0.42 0.98 -2.16 1.20 0.00 0.00 173.24 172.87 1hqz s PRO 37 N -3.00 4.79 0.47 5.44 0.04 -1.26 -1.13 135.00 140.36 1hqz s PRO 37 Ca 0.01 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 1hqz s PRO 37 Cb 0.00 -3.27 0.10 0.00 0.04 0.00 0.00 34.50 31.37 1hqz s PRO 37 CO -0.05 0.41 0.65 0.27 0.04 0.00 0.00 177.00 178.32 1hqz n ASN 38 N 1.57 0.63 -0.29 6.66 0.23 0.60 -4.85 115.26 119.82 1hqz n ASN 38 Ca -0.01 -1.59 0.19 0.00 -0.53 0.00 0.00 54.58 52.64 1hqz n ASN 38 Cb 0.47 -0.44 0.47 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.86 2.12 -0.27 -2.53 0.00 -1.97 0.16 119.26 115.91 1hqz h ALA 39 Ca -0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1hqz h ALA 39 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1hqz h ALA 39 CO 0.21 -0.46 0.03 1.63 0.00 0.00 0.00 179.25 180.66 1hqz n LYS 40 N -4.59 2.55 -2.15 0.00 5.02 -1.26 -4.86 118.16 112.87 1hqz n LYS 40 Ca 0.22 -1.36 -0.19 0.00 -2.02 0.00 0.00 58.31 54.96 1hqz n LYS 40 Cb 0.74 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.21 -1.67 -3.85 1.97 5.02 0.56 -4.96 118.16 115.45 1hqz n LYS 41 Ca 0.14 1.01 -0.36 0.00 -2.02 0.00 0.00 58.31 57.08 1hqz n LYS 41 Cb 0.70 -5.57 -0.10 0.00 -0.02 0.00 0.00 35.03 30.04 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 -4.62 3.92 0.26 1.97 2.02 -1.25 -4.42 118.70 116.58 1hqz s GLU 42 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 1hqz s GLU 42 Cb 0.00 -3.34 -0.09 0.00 0.10 0.00 0.00 34.13 30.80 1hqz s GLU 42 CO 0.00 0.10 1.07 0.71 0.02 0.00 0.00 175.26 177.16 1hqz s TYR 43 N 0.89 3.66 0.19 1.61 1.51 -0.29 -0.29 117.35 124.62 1hqz s TYR 43 Ca 0.05 1.73 -0.14 0.00 -1.01 0.00 0.00 57.07 57.69 1hqz s TYR 43 Cb -0.13 -3.23 0.01 0.00 -0.11 0.00 0.00 41.96 38.50 1hqz s TYR 43 CO 0.03 -0.37 0.44 -1.83 -1.11 0.00 0.00 175.55 172.71 1hqz s GLU 44 N -1.26 1.32 0.09 -0.62 -1.05 -0.28 -4.42 118.70 112.47 1hqz s GLU 44 Ca 0.44 -0.99 -0.31 0.00 -0.15 0.00 0.00 54.97 53.97 1hqz s GLU 44 Cb -0.31 0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 33.76 1hqz s GLU 44 CO 0.39 -0.54 1.83 -2.14 0.95 0.00 0.00 175.26 175.75 1hqz s PRO 45 N -3.91 4.15 -0.18 -4.83 0.02 -1.26 -0.89 135.00 128.09 1hqz s PRO 45 Ca 0.12 2.55 -0.05 0.00 0.02 0.00 0.00 61.00 63.64 1hqz s PRO 45 Cb 0.00 -3.75 -0.22 0.00 0.02 0.00 0.00 34.50 30.56 1hqz s PRO 45 CO -0.01 -0.86 0.10 -1.91 -0.33 0.00 0.00 177.00 174.00 1hqz n GLU 46 N 6.18 0.70 -3.52 5.54 2.13 0.55 -4.85 120.64 127.37 1hqz n GLU 46 Ca 0.18 0.25 -0.12 0.00 0.66 0.00 0.00 57.16 58.12 1hqz n GLU 46 Cb 0.39 -1.63 -0.04 0.00 0.27 0.00 0.00 31.44 30.43 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 -6.87 -0.44 0.11 4.31 1.04 -1.15 -5.03 113.70 105.65 1hqz s SER 47 Ca -0.28 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 1hqz s SER 47 Cb 0.08 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1hqz s SER 47 CO 0.68 -0.87 0.02 0.42 0.98 0.00 0.00 173.24 174.48 1hqz s THR 48 N -3.39 0.17 0.02 2.02 -4.23 -1.26 -1.42 115.64 107.54 1hqz s THR 48 Ca -0.00 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1hqz s THR 48 Cb -0.00 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.98 1hqz s THR 48 CO -0.09 -0.65 0.14 0.61 -0.54 0.00 0.00 174.62 174.08 1hqz n GLY 49 N -0.03 1.07 0.00 3.99 0.00 -1.08 -5.00 105.19 104.14 1hqz n GLY 49 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1hqz n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqz n SER 50 N -0.57 3.49 -4.55 1.61 3.41 -1.22 0.55 113.62 116.34 1hqz n SER 50 Ca -0.00 -0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.09 1hqz n SER 50 Cb 0.07 0.93 -0.09 0.00 -0.26 0.00 0.00 64.21 64.86 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 -1.62 6.23 0.34 4.04 0.15 -1.26 -4.77 113.70 116.81 1hqz s SER 51 Ca 0.00 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.54 1hqz s SER 51 Cb 0.00 -2.22 0.64 0.00 -1.71 0.00 0.00 66.02 62.73 1hqz s SER 51 CO 0.00 -0.38 1.95 0.15 1.20 0.00 0.00 173.24 176.16 1hqz h PHE 52 N 8.45 0.87 -0.63 3.44 3.57 -1.94 -0.24 116.94 130.46 1hqz h PHE 52 Ca -0.29 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.25 1hqz h PHE 52 Cb 1.14 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1hqz h PHE 52 CO 0.70 0.48 0.40 1.25 -2.23 0.00 0.00 178.31 178.91 1hqz h HIS 53 N 0.87 0.76 -0.18 0.41 2.76 -2.01 -2.33 115.15 115.44 1hqz h HIS 53 Ca 0.32 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.35 1hqz h HIS 53 Cb 0.17 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1hqz h HIS 53 CO -0.00 0.46 -0.57 -0.44 -1.30 0.00 0.00 177.93 176.08 1hqz h ASP 54 N 0.81 0.63 -0.27 3.26 3.32 -1.64 -3.16 116.42 119.37 1hqz h ASP 54 Ca 0.24 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 57.01 1hqz h ASP 54 Cb -0.04 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.25 1hqz h ASP 54 CO -0.08 1.07 -0.35 0.15 -1.72 0.00 0.00 179.24 178.31 1hqz h PHE 55 N 0.43 -1.00 0.00 4.55 3.57 -0.66 -0.27 116.94 123.56 1hqz h PHE 55 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1hqz h PHE 55 Cb 1.12 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.34 1hqz h PHE 55 CO 0.05 -0.41 0.03 1.28 -2.23 0.00 0.00 178.31 177.03 1hqz n LEU 56 N -5.42 0.56 -0.68 0.59 4.77 -0.92 -1.31 117.00 114.59 1hqz n LEU 56 Ca -0.01 0.75 0.06 0.00 -0.03 0.00 0.00 56.01 56.78 1hqz n LEU 56 Cb 0.34 -0.81 0.16 0.00 -2.33 0.00 0.00 43.42 40.78 1hqz n LEU 56 CO 0.10 -0.94 0.63 0.00 -1.33 0.00 0.00 177.39 175.85 1hqz n GLN 57 N -2.26 2.81 -0.07 3.23 6.02 -0.16 -4.53 117.38 122.41 1hqz n GLN 57 Ca -0.01 -2.07 0.12 0.00 -0.01 0.00 0.00 57.00 55.03 1hqz n GLN 57 Cb 0.06 -1.29 0.15 0.00 1.02 0.00 0.00 30.24 30.18 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 0.59 3.15 -4.76 1.08 4.77 -0.43 -4.97 117.00 116.44 1hqz n LEU 58 Ca 0.12 -1.17 -0.39 0.00 -0.03 0.00 0.00 56.01 54.53 1hqz n LEU 58 Cb 0.44 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1hqz n LEU 58 CO 0.08 0.59 0.72 -0.36 -1.33 0.00 0.00 177.39 177.09 1hqz s PHE 59 N -1.82 3.73 -0.22 -1.77 0.40 -1.26 -5.02 117.98 112.02 1hqz s PHE 59 Ca 0.32 1.79 -0.19 0.00 -0.60 0.00 0.00 56.93 58.25 1hqz s PHE 59 Cb 0.21 -3.11 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 1hqz s PHE 59 CO 0.31 -0.07 0.58 0.34 0.70 0.00 0.00 175.22 177.07 1hqz s ASP 60 N -1.14 6.58 0.00 1.36 -1.08 -1.26 -4.96 116.67 116.18 1hqz s ASP 60 Ca 0.45 0.71 0.07 0.00 -0.52 0.00 0.00 52.55 53.25 1hqz s ASP 60 Cb -0.27 -2.32 0.35 0.00 -1.46 0.00 0.00 42.92 39.22 1hqz s ASP 60 CO 0.34 -0.27 1.06 1.21 0.52 0.00 0.00 175.17 178.04 1hqz n GLU 61 N 5.18 0.10 -0.06 4.34 2.13 -1.26 -2.54 120.64 128.53 1hqz n GLU 61 Ca -0.03 0.21 0.03 0.00 0.66 0.00 0.00 57.16 58.03 1hqz n GLU 61 Cb 0.50 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.76 1hqz n GLU 61 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1hqz n THR 62 N -1.27 0.66 -3.91 6.31 -2.24 -1.26 -3.96 114.28 108.60 1hqz n THR 62 Ca 0.03 -0.83 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 1hqz n THR 62 Cb 0.05 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.17 -0.05 -0.78 1.02 -1.05 -3.97 119.74 114.27 1hqz s LYS 63 Ca 0.10 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1hqz s LYS 63 Cb 0.05 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1hqz s LYS 63 CO 0.07 -0.03 1.17 0.08 -0.92 0.00 0.00 175.35 175.73 1hqz s VAL 64 N -0.70 4.31 0.27 3.17 1.01 -1.26 -4.50 120.40 122.69 1hqz s VAL 64 Ca -0.08 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.55 1hqz s VAL 64 Cb -0.05 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1hqz s VAL 64 CO -0.00 0.01 0.10 -1.10 0.00 0.00 0.00 175.10 174.11 1hqz s GLN 65 N 2.10 1.44 -0.03 2.72 -0.21 0.85 -4.54 119.66 121.99 1hqz s GLN 65 Ca 0.55 -1.79 0.01 0.00 0.02 0.00 0.00 55.36 54.16 1hqz s GLN 65 Cb -0.24 -0.27 0.01 0.00 1.00 0.00 0.00 33.01 33.51 1hqz s GLN 65 CO 0.22 -0.31 -0.05 0.71 -2.12 0.00 0.00 175.29 173.75 1hqz s TYR 66 N -3.72 0.63 0.11 0.91 1.51 -1.03 -0.13 117.35 115.63 1hqz s TYR 66 Ca 0.37 -0.15 0.10 0.00 -1.01 0.00 0.00 57.07 56.39 1hqz s TYR 66 Cb 0.08 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 1hqz s TYR 66 CO 0.14 -0.12 -0.25 0.20 -1.11 0.00 0.00 175.55 174.41 1hqz s GLY 67 N 0.53 1.45 -0.04 0.71 0.00 -0.30 -0.59 107.32 109.08 1hqz s GLY 67 Ca -0.07 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1hqz s GLY 67 CO -0.00 -1.34 -0.01 -2.27 0.00 0.00 0.00 173.10 169.48 1hqz s LEU 68 N -1.87 1.13 -0.03 0.66 2.96 0.87 -0.31 118.68 122.09 1hqz s LEU 68 Ca 0.11 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1hqz s LEU 68 Cb -0.10 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.31 1hqz s LEU 68 CO 0.05 -0.10 0.07 0.00 -1.32 0.00 0.00 176.35 175.04 1hqz s ALA 69 N 1.11 -0.12 -0.27 5.97 0.00 -0.34 0.22 121.76 128.32 1hqz s ALA 69 Ca -0.08 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1hqz s ALA 69 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1hqz s ALA 69 CO -0.02 -0.06 0.37 0.50 0.00 0.00 0.00 175.76 176.55 1hqz s ARG 70 N 0.36 4.00 0.06 0.00 3.52 0.90 -0.69 118.95 127.10 1hqz s ARG 70 Ca -0.03 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1hqz s ARG 70 Cb -0.04 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 1hqz s ARG 70 CO -0.01 -0.28 -0.06 0.54 -0.81 0.00 0.00 175.30 174.67 1hqz s VAL 71 N 2.06 0.46 -0.20 7.11 0.11 0.02 -4.81 120.40 125.16 1hqz s VAL 71 Ca 0.15 -1.43 -0.01 0.00 -2.93 0.00 0.00 61.98 57.75 1hqz s VAL 71 Cb -0.16 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1hqz s VAL 71 CO 0.10 -0.65 -0.13 -0.55 -3.33 0.00 0.00 175.10 170.54 1hqz s SER 72 N -2.23 3.68 0.69 3.54 0.15 -1.26 -0.34 113.70 117.93 1hqz s SER 72 Ca -0.02 -0.53 -0.17 0.00 0.70 0.00 0.00 55.95 55.94 1hqz s SER 72 Cb -0.02 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 1hqz s SER 72 CO -0.03 -0.01 0.72 -2.65 1.20 0.00 0.00 173.24 172.47 1hqz n PRO 73 N 4.68 0.46 -0.42 5.44 -0.02 -1.26 -4.84 135.00 139.05 1hqz n PRO 73 Ca -0.20 0.20 0.38 0.00 -2.02 0.00 0.00 63.50 61.86 1hqz n PRO 73 Cb 0.50 -1.98 0.73 0.00 -0.02 0.00 0.00 33.50 32.74 1hqz n PRO 73 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1hqz h PRO 74 N -0.15 0.06 -1.72 0.52 0.11 -1.98 -2.82 132.00 126.02 1hqz h PRO 74 Ca -0.46 -0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.13 1hqz h PRO 74 Cb 1.35 -0.01 -0.41 0.00 0.11 0.00 0.00 31.00 32.04 1hqz h PRO 74 CO 0.45 0.04 -0.93 0.41 -0.21 0.00 0.00 178.00 177.76 1hqz n GLY 75 N -1.74 4.27 3.66 -0.55 0.00 -1.26 -5.08 105.19 104.49 1hqz n GLY 75 Ca 0.31 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.16 -0.40 0.00 1.61 1.04 -1.07 -5.02 113.70 106.71 1hqz s SER 76 Ca 0.41 -0.33 0.14 0.00 0.48 0.00 0.00 55.95 56.65 1hqz s SER 76 Cb 0.37 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1hqz s SER 76 CO -0.10 -1.17 0.78 -0.67 0.98 0.00 0.00 173.24 173.06 1hqz n ASP 77 N -0.42 1.51 -4.78 7.02 2.03 -1.26 -4.64 116.55 116.00 1hqz n ASP 77 Ca -0.10 -1.25 -0.37 0.00 0.52 0.00 0.00 54.79 53.59 1hqz n ASP 77 Cb 0.62 0.45 -0.06 0.00 -0.72 0.00 0.00 41.12 41.40 1hqz n ASP 77 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1hqz s VAL 78 N -1.69 4.23 -0.13 5.18 1.01 -1.26 -5.06 120.40 122.69 1hqz s VAL 78 Ca 0.12 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.92 1hqz s VAL 78 Cb 0.11 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1hqz s VAL 78 CO 0.34 0.16 -0.21 -1.61 0.00 0.00 0.00 175.10 173.78 1hqz s GLU 79 N -2.01 3.08 0.28 2.72 2.02 -1.26 -3.97 118.70 119.56 1hqz s GLU 79 Ca 0.49 -0.84 0.10 0.00 0.02 0.00 0.00 54.97 54.74 1hqz s GLU 79 Cb -0.19 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 1hqz s GLU 79 CO 0.24 0.07 -0.03 0.15 0.02 0.00 0.00 175.26 175.71 1hqz s LYS 80 N 0.62 2.18 -0.21 1.61 -0.14 0.54 -4.89 119.74 119.46 1hqz s LYS 80 Ca -0.11 -1.51 -0.07 0.00 -1.36 0.00 0.00 55.97 52.92 1hqz s LYS 80 Cb -0.16 -2.08 -0.03 0.00 -1.68 0.00 0.00 37.83 33.87 1hqz s LYS 80 CO 0.03 0.32 0.05 0.42 -0.76 0.00 0.00 175.35 175.41 1hqz s ILE 81 N -2.38 4.45 -0.06 2.17 -1.09 -1.26 -0.80 121.20 122.23 1hqz s ILE 81 Ca 0.32 -0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 1hqz s ILE 81 Cb -0.05 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 1hqz s ILE 81 CO 0.19 0.41 -0.13 -0.51 -1.23 0.00 0.00 174.94 173.68 1hqz s ILE 82 N 0.88 3.16 -0.06 2.92 2.07 0.14 0.55 121.20 130.85 1hqz s ILE 82 Ca 0.03 -0.68 0.06 0.00 -1.41 0.00 0.00 60.65 58.65 1hqz s ILE 82 Cb -0.14 -2.25 -0.01 0.00 0.13 0.00 0.00 42.46 40.19 1hqz s ILE 82 CO 0.02 0.58 -0.25 -0.51 -1.91 0.00 0.00 174.94 172.88 1hqz s ILE 83 N -0.62 2.04 -0.12 2.00 2.07 0.37 -1.20 121.20 125.75 1hqz s ILE 83 Ca 0.09 -1.05 0.03 0.00 -1.41 0.00 0.00 60.65 58.31 1hqz s ILE 83 Cb -0.11 -1.73 0.01 0.00 0.13 0.00 0.00 42.46 40.75 1hqz s ILE 83 CO 0.01 0.57 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.76 1hqz s ILE 84 N -0.07 1.94 -0.46 2.00 1.01 0.58 -0.85 121.20 125.34 1hqz s ILE 84 Ca -0.06 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 1hqz s ILE 84 Cb -0.14 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.68 1hqz s ILE 84 CO 0.05 0.53 0.42 -0.83 0.00 0.00 0.00 174.94 175.11 1hqz s GLY 85 N 0.64 1.99 -0.40 6.18 0.00 0.68 -1.15 107.32 115.25 1hqz s GLY 85 Ca -0.12 -1.95 -0.16 0.00 0.00 0.00 0.00 44.72 42.48 1hqz s GLY 85 CO 0.03 1.11 0.40 0.86 0.00 0.00 0.00 173.10 175.50 1hqz s TRP 86 N 1.84 3.19 -0.52 1.90 -0.11 0.81 -0.66 118.94 125.40 1hqz s TRP 86 Ca 0.07 -0.33 0.03 0.00 1.22 0.00 0.00 56.10 57.09 1hqz s TRP 86 Cb -0.22 -2.80 0.15 0.00 -1.50 0.00 0.00 33.47 29.10 1hqz s TRP 86 CO 0.08 -0.63 0.33 0.00 -4.62 0.00 0.00 176.95 172.12 1hqz s PRO 88 N -0.27 4.07 0.30 0.00 0.04 -1.26 -4.36 135.00 133.54 1hqz s PRO 88 Ca 0.22 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.49 1hqz s PRO 88 Cb -0.14 -2.15 0.68 0.00 0.04 0.00 0.00 34.50 32.93 1hqz s PRO 88 CO -0.08 -0.17 1.81 -0.44 0.04 0.00 0.00 177.00 178.16 1hqz h ASP 89 N 1.73 0.82 0.00 6.66 3.32 -1.82 -1.81 116.42 125.32 1hqz h ASP 89 Ca -0.49 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1hqz h ASP 89 Cb 1.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1hqz h ASP 89 CO 0.60 0.36 0.00 -1.20 -1.72 0.00 0.00 179.24 177.29 1hqz n SER 90 N -4.68 0.00 -4.82 6.45 7.64 -1.25 -4.81 113.62 112.14 1hqz n SER 90 Ca 0.21 -0.86 -0.33 0.00 1.01 0.00 0.00 58.87 58.90 1hqz n SER 90 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.00 2.97 0.16 -0.43 0.00 -0.68 -4.73 121.76 117.05 1hqz s ALA 91 Ca 0.39 0.34 -0.33 0.00 0.00 0.00 0.00 51.96 52.36 1hqz s ALA 91 Cb 0.18 -3.17 -0.16 0.00 0.00 0.00 0.00 23.12 19.98 1hqz s ALA 91 CO 0.30 -0.26 1.22 -2.30 0.00 0.00 0.00 175.76 174.73 1hqz n PRO 92 N -1.33 1.25 -0.30 0.00 -0.02 -1.26 -4.78 135.00 128.56 1hqz n PRO 92 Ca 0.07 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 61.97 1hqz n PRO 92 Cb 0.54 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1hqz n PRO 92 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hqz h LEU 93 N 3.70 -1.32 -0.83 2.45 5.85 -1.92 -1.39 115.31 121.85 1hqz h LEU 93 Ca -0.44 0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1hqz h LEU 93 Cb 1.33 0.68 -0.05 0.00 0.37 0.00 0.00 40.66 43.00 1hqz h LEU 93 CO 0.72 -0.30 0.53 0.11 -0.34 0.00 0.00 178.44 179.17 1hqz h LYS 94 N -0.07 1.02 -0.17 1.25 1.57 -1.98 -0.31 116.57 117.88 1hqz h LYS 94 Ca 0.29 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1hqz h LYS 94 Cb 0.58 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1hqz h LYS 94 CO -0.85 0.68 -0.18 1.79 -0.57 0.00 0.00 179.45 180.31 1hqz h THR 95 N 1.05 1.21 -0.10 -0.16 1.35 -1.64 -2.17 112.91 112.46 1hqz h THR 95 Ca 0.32 -0.97 -0.21 0.00 -0.55 0.00 0.00 66.41 65.00 1hqz h THR 95 Cb -0.02 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1hqz h THR 95 CO -0.10 0.30 -0.79 0.03 -0.25 0.00 0.00 175.52 174.71 1hqz h ARG 96 N 0.26 0.61 0.00 4.72 3.08 -0.66 -2.36 114.38 120.03 1hqz h ARG 96 Ca 0.05 -0.51 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 1hqz h ARG 96 Cb 0.48 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1hqz h ARG 96 CO 0.03 1.14 -0.09 0.00 -1.07 0.00 0.00 179.97 179.98 1hqz h ALA 97 N 0.71 1.10 -0.14 0.04 0.00 -0.73 -2.70 119.26 117.54 1hqz h ALA 97 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1hqz h ALA 97 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1hqz h ALA 97 CO 0.15 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.94 1hqz n SER 98 N -3.34 2.96 -0.01 0.00 7.64 -0.85 -4.64 113.62 115.39 1hqz n SER 98 Ca -0.01 -1.91 -0.09 0.00 1.01 0.00 0.00 58.87 57.87 1hqz n SER 98 Cb 0.27 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.36 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 4.14 -0.18 -0.54 1.43 3.57 -1.07 -1.05 116.94 123.24 1hqz h PHE 99 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1hqz h PHE 99 Cb 0.90 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 1hqz h PHE 99 CO 0.08 -0.12 0.15 0.00 -2.23 0.00 0.00 178.31 176.19 1hqz h ALA 100 N 1.04 0.65 0.06 2.41 0.00 -1.82 0.50 119.26 122.10 1hqz h ALA 100 Ca 0.08 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hqz h ALA 100 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hqz h ALA 100 CO -0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 179.25 178.79 1hqz h ALA 101 N 1.40 -0.08 -0.13 0.00 0.00 -1.85 -1.95 119.26 116.65 1hqz h ALA 101 Ca 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1hqz h ALA 101 Cb 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1hqz h ALA 101 CO -0.32 -0.39 -0.10 -0.91 0.00 0.00 0.00 179.25 177.53 1hqz h ASN 102 N -0.38 0.18 -0.28 0.00 2.35 -0.65 -0.33 115.58 116.48 1hqz h ASN 102 Ca -0.01 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 1hqz h ASN 102 Cb 0.34 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1hqz h ASN 102 CO 0.01 0.31 -0.35 0.15 -1.65 0.00 0.00 177.43 175.90 1hqz h PHE 103 N 0.19 0.89 -0.80 1.19 3.57 0.03 -0.94 116.94 121.07 1hqz h PHE 103 Ca 0.04 -0.29 0.01 0.00 3.53 0.00 0.00 57.97 61.26 1hqz h PHE 103 Cb 0.30 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1hqz h PHE 103 CO 0.00 1.05 0.52 0.00 -2.23 0.00 0.00 178.31 177.66 1hqz h ALA 104 N 0.68 1.02 0.06 2.41 0.00 -0.79 -0.44 119.26 122.20 1hqz h ALA 104 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hqz h ALA 104 Cb 0.94 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1hqz h ALA 104 CO 0.08 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.75 1hqz h ALA 105 N 1.29 -0.08 -0.90 0.00 0.00 -0.87 -1.17 119.26 117.54 1hqz h ALA 105 Ca 0.29 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1hqz h ALA 105 Cb -0.11 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1hqz h ALA 105 CO -0.06 -0.53 0.58 0.28 0.00 0.00 0.00 179.25 179.52 1hqz h VAL 106 N -0.12 1.14 -0.18 0.00 2.07 -0.80 0.23 116.25 118.60 1hqz h VAL 106 Ca -0.01 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 1hqz h VAL 106 Cb 0.10 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1hqz h VAL 106 CO 0.01 0.20 -0.56 0.00 0.02 0.00 0.00 177.57 177.25 1hqz h ALA 107 N 1.37 0.69 0.00 1.67 0.00 -0.94 0.26 119.26 122.32 1hqz h ALA 107 Ca 0.36 -0.52 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1hqz h ALA 107 Cb 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1hqz h ALA 107 CO -0.12 0.69 -1.45 -0.91 0.00 0.00 0.00 179.25 177.46 1hqz h ASN 108 N 0.42 0.00 0.00 0.00 2.35 -0.76 -3.33 115.58 114.26 1hqz h ASN 108 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1hqz h ASN 108 Cb 1.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 1hqz h ASN 108 CO 0.10 0.88 -1.16 0.59 -1.65 0.00 0.00 177.43 176.19 1hqz n ASN 109 N -3.07 4.25 0.00 5.81 3.02 0.77 -4.82 115.26 121.22 1hqz n ASN 109 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1hqz n ASN 109 Cb 0.97 1.06 0.00 0.00 -0.61 0.00 0.00 39.78 41.20 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 -1.69 0.00 -3.05 3.41 0.00 -0.88 -4.79 117.00 109.99 1hqz n LEU 110 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.66 1hqz n LEU 110 Cb 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 43.42 43.22 1hqz n LEU 110 CO 0.07 -0.42 2.20 0.49 0.00 0.00 0.00 177.39 179.73 1hqz n PHE 111 N -2.32 2.08 -2.48 1.96 0.99 0.87 -4.99 117.46 113.58 1hqz n PHE 111 Ca 0.00 -2.49 -0.36 0.00 -0.00 0.00 0.00 57.45 54.61 1hqz n PHE 111 Cb 0.00 -1.75 -0.03 0.00 -1.00 0.00 0.00 39.48 36.70 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 -0.83 3.90 0.00 -1.08 1.02 -1.25 -3.86 119.74 117.64 1hqz s LYS 112 Ca 0.58 1.50 0.00 0.00 0.02 0.00 0.00 55.97 58.08 1hqz s LYS 112 Cb 0.25 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1hqz s LYS 112 CO -0.12 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 1hqz n GLY 113 N 0.12 0.78 3.81 -3.33 0.00 -1.26 -5.05 105.19 100.26 1hqz n GLY 113 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 3.12 -0.15 1.61 -0.85 -1.25 -4.68 117.35 113.15 1hqz s TYR 114 Ca 0.00 1.51 0.05 0.00 -0.52 0.00 0.00 57.07 58.10 1hqz s TYR 114 Cb 0.00 -2.95 -0.12 0.00 0.38 0.00 0.00 41.96 39.26 1hqz s TYR 114 CO 0.00 -0.88 -0.07 0.72 -1.52 0.00 0.00 175.55 173.79 1hqz n HIS 115 N -1.81 0.00 -5.14 -3.49 8.25 0.19 -4.94 115.22 108.29 1hqz n HIS 115 Ca 0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 1hqz n HIS 115 Cb 0.53 -0.63 -0.16 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.32 2.35 -0.15 1.59 1.01 -0.69 -5.02 120.40 117.17 1hqz s VAL 116 Ca -0.16 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1hqz s VAL 116 Cb 0.05 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1hqz s VAL 116 CO 0.43 0.57 -0.20 -1.58 0.00 0.00 0.00 175.10 174.32 1hqz s GLN 117 N -0.14 3.08 -0.06 2.72 0.74 -1.26 -0.48 119.66 124.26 1hqz s GLN 117 Ca -0.04 -0.82 0.04 0.00 0.05 0.00 0.00 55.36 54.60 1hqz s GLN 117 Cb -0.14 -2.50 -0.00 0.00 1.10 0.00 0.00 33.01 31.47 1hqz s GLN 117 CO 0.04 -0.02 -0.18 0.08 -0.55 0.00 0.00 175.29 174.66 1hqz s VAL 118 N 0.84 1.56 -0.24 1.34 1.01 -0.03 -4.98 120.40 119.90 1hqz s VAL 118 Ca -0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1hqz s VAL 118 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1hqz s VAL 118 CO -0.02 0.45 0.12 -0.89 0.00 0.00 0.00 175.10 174.76 1hqz s THR 119 N 0.17 4.86 0.03 3.92 2.01 -1.26 -0.23 115.64 125.13 1hqz s THR 119 Ca -0.08 0.01 0.06 0.00 0.31 0.00 0.00 61.69 61.99 1hqz s THR 119 Cb -0.14 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1hqz s THR 119 CO 0.04 0.34 -0.17 0.00 -0.69 0.00 0.00 174.62 174.14 1hqz s ALA 120 N 1.35 1.39 -0.06 7.40 0.00 0.17 -4.95 121.76 127.06 1hqz s ALA 120 Ca 0.06 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1hqz s ALA 120 Cb -0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 1hqz s ALA 120 CO 0.05 0.30 -0.03 -2.13 0.00 0.00 0.00 175.76 173.96 1hqz n ARG 121 N 2.09 1.45 -4.20 0.00 0.63 -1.26 -0.67 116.66 114.69 1hqz n ARG 121 Ca -0.17 0.02 -0.15 0.00 -0.92 0.00 0.00 57.85 56.63 1hqz n ARG 121 Cb 0.54 -1.14 -0.08 0.00 0.45 0.00 0.00 32.46 32.23 1hqz n ARG 121 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1hqz s ASP 122 N -4.25 0.89 0.49 6.15 1.47 -1.26 -4.01 116.67 116.15 1hqz s ASP 122 Ca -0.07 -1.53 0.20 0.00 1.18 0.00 0.00 52.55 52.33 1hqz s ASP 122 Cb 0.02 0.51 1.23 0.00 -0.34 0.00 0.00 42.92 44.35 1hqz s ASP 122 CO 0.19 -1.02 2.01 -0.33 0.68 0.00 0.00 175.17 176.69 1hqz h GLU 123 N 2.31 0.16 -0.27 2.11 5.08 -1.96 -1.13 114.58 120.88 1hqz h GLU 123 Ca -0.29 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1hqz h GLU 123 Cb 1.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1hqz h GLU 123 CO 0.43 0.11 0.18 -0.44 -1.00 0.00 0.00 179.01 178.28 1hqz h ASP 124 N 0.16 0.30 1.56 1.42 3.32 -2.00 0.46 116.42 121.64 1hqz h ASP 124 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1hqz h ASP 124 Cb 0.71 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1hqz h ASP 124 CO -0.03 0.21 0.00 0.44 -1.72 0.00 0.00 179.24 178.14 1hqz h ASP 125 N 0.35 0.00 -0.50 6.45 3.32 -1.60 -3.06 116.42 121.37 1hqz h ASP 125 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1hqz h ASP 125 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1hqz h ASP 125 CO -0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.68 1hqz n LEU 126 N -2.90 4.92 -4.65 1.55 4.77 0.16 -4.89 117.00 115.97 1hqz n LEU 126 Ca 0.03 -2.50 -0.47 0.00 -0.03 0.00 0.00 56.01 53.05 1hqz n LEU 126 Cb 0.43 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1hqz n LEU 126 CO 0.30 0.59 1.59 -0.67 -1.33 0.00 0.00 177.39 177.88 1hqz n ASP 127 N 0.60 3.45 -0.11 -1.43 2.03 -0.97 -4.85 116.55 115.27 1hqz n ASP 127 Ca 0.24 0.81 -0.05 0.00 0.52 0.00 0.00 54.79 56.30 1hqz n ASP 127 Cb 1.02 -1.42 0.01 0.00 -0.72 0.00 0.00 41.12 40.02 1hqz n ASP 127 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1hqz h GLU 128 N 10.57 -0.07 -0.37 -0.67 4.81 -1.93 -1.10 114.58 125.82 1hqz h GLU 128 Ca -0.46 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1hqz h GLU 128 Cb 1.27 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1hqz h GLU 128 CO 0.96 -0.05 0.20 -0.91 -0.73 0.00 0.00 179.01 178.48 1hqz h ASN 129 N -0.07 0.32 -0.52 1.04 2.35 -1.99 -0.74 115.58 115.96 1hqz h ASN 129 Ca 0.19 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1hqz h ASN 129 Cb 0.37 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1hqz h ASN 129 CO -0.44 0.23 -0.06 1.05 -1.65 0.00 0.00 177.43 176.56 1hqz h GLU 130 N 0.42 0.99 -0.60 0.81 4.11 -1.87 -2.44 114.58 116.00 1hqz h GLU 130 Ca 0.15 -0.33 -0.01 0.00 0.07 0.00 0.00 59.36 59.23 1hqz h GLU 130 Cb 0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1hqz h GLU 130 CO -0.08 1.01 0.32 -0.07 0.07 0.00 0.00 179.01 180.26 1hqz h LEU 131 N 0.89 0.75 -1.94 3.06 3.38 -0.89 -1.48 115.31 119.09 1hqz h LEU 131 Ca 0.15 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1hqz h LEU 131 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1hqz h LEU 131 CO 0.04 0.64 0.13 -0.07 0.09 0.00 0.00 178.44 179.26 1hqz h LEU 132 N 0.81 0.07 -0.28 1.67 3.38 -0.92 -0.44 115.31 119.60 1hqz h LEU 132 Ca 0.21 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1hqz h LEU 132 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1hqz h LEU 132 CO -0.03 0.05 -0.11 0.24 0.09 0.00 0.00 178.44 178.67 1hqz h MET 133 N 0.08 0.58 -0.30 1.13 2.86 -0.80 0.33 114.93 118.82 1hqz h MET 133 Ca 0.08 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1hqz h MET 133 Cb 0.23 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1hqz h MET 133 CO -0.01 0.81 0.02 0.87 1.06 0.00 0.00 176.91 179.66 1hqz h LYS 134 N 0.33 0.44 0.00 1.72 1.57 -0.83 0.24 116.57 120.04 1hqz h LYS 134 Ca 0.07 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1hqz h LYS 134 Cb 0.62 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1hqz h LYS 134 CO 0.04 0.45 -0.51 0.82 -0.57 0.00 0.00 179.45 179.69 1hqz h ILE 135 N 0.43 1.20 0.00 1.86 2.04 -0.68 -2.85 117.51 119.52 1hqz h ILE 135 Ca 0.10 -1.83 -0.15 0.00 1.00 0.00 0.00 64.86 63.97 1hqz h ILE 135 Cb 0.25 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1hqz h ILE 135 CO 0.00 0.50 -0.74 0.28 0.00 0.00 0.00 178.15 178.19 1hqz h SER 136 N 0.00 0.00 0.03 1.72 0.02 0.16 -3.34 113.55 112.13 1hqz h SER 136 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1hqz h SER 136 Cb 0.99 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 1hqz h SER 136 CO 0.07 0.74 -0.03 0.78 -1.14 0.00 0.00 176.83 177.25 1hqz h ASN 137 N 0.00 -0.07 -0.02 3.07 -0.26 -0.85 -3.51 115.58 113.95 1hqz h ASN 137 Ca -0.01 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1hqz h ASN 137 Cb 1.37 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1hqz h ASN 137 CO 0.10 -0.03 0.00 0.00 -1.06 0.00 0.00 177.43 176.43