#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqz n GLU 4 N 0.00 0.03 -1.53 1.96 2.13 -1.26 -5.03 120.64 116.93 1hqz n GLU 4 Ca 0.00 -0.58 -0.46 0.00 0.66 0.00 0.00 57.16 56.79 1hqz n GLU 4 Cb 0.00 0.31 -0.02 0.00 0.27 0.00 0.00 31.44 32.00 1hqz n GLU 4 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1hqz n PRO 5 N 2.34 0.95 -2.42 5.31 -0.04 -1.26 -4.91 135.00 134.97 1hqz n PRO 5 Ca 0.09 0.33 -0.41 0.00 -0.04 0.00 0.00 63.50 63.47 1hqz n PRO 5 Cb 0.67 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.03 3.64 -0.36 0.52 2.07 -1.26 -5.01 121.20 119.76 1hqz s ILE 6 Ca 0.60 1.42 -0.07 0.00 -1.41 0.00 0.00 60.65 61.19 1hqz s ILE 6 Cb -0.77 -3.91 0.05 0.00 0.13 0.00 0.00 42.46 37.97 1hqz s ILE 6 CO 0.59 0.24 0.15 -0.62 -1.91 0.00 0.00 174.94 173.39 1hqz s ASP 7 N -0.05 5.40 -0.08 4.50 2.15 -1.26 -4.87 116.67 122.46 1hqz s ASP 7 Ca 0.51 -1.29 0.11 0.00 0.43 0.00 0.00 52.55 52.30 1hqz s ASP 7 Cb -0.32 -1.90 0.17 0.00 -0.30 0.00 0.00 42.92 40.57 1hqz s ASP 7 CO 0.37 -0.40 1.06 0.00 -0.17 0.00 0.00 175.17 176.03 1hqz n TYR 8 N 4.82 0.00 -0.05 -5.34 0.18 -1.26 -1.07 117.16 114.44 1hqz n TYR 8 Ca -0.11 -0.69 -0.01 0.00 1.88 0.00 0.00 57.90 58.97 1hqz n TYR 8 Cb 0.44 -0.11 -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 -0.94 0.69 0.08 -3.48 -2.24 -1.26 -3.87 114.28 103.26 1hqz n THR 9 Ca 0.09 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1hqz n THR 9 Cb 0.56 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.61 -1.26 4.28 2.02 -1.90 -2.76 112.91 113.91 1hqz h THR 10 Ca -0.27 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.23 1hqz h THR 10 Cb 1.55 0.61 -0.32 0.00 -1.74 0.00 0.00 68.15 68.26 1hqz h THR 10 CO 0.01 0.00 0.52 1.41 0.37 0.00 0.00 175.52 177.84 1hqz n HIS 11 N -5.29 3.11 -0.24 3.16 8.25 -1.26 -4.74 115.22 118.20 1hqz n HIS 11 Ca -0.06 -2.73 0.07 0.00 -0.26 0.00 0.00 57.72 54.74 1hqz n HIS 11 Cb 0.21 -1.10 0.32 0.00 1.12 0.00 0.00 29.99 30.55 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 2.33 0.74 -0.10 0.41 4.64 -1.60 -2.64 113.55 117.34 1hqz h SER 12 Ca 0.54 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.90 1hqz h SER 12 Cb 0.74 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1hqz h SER 12 CO 1.36 0.46 -0.13 -0.09 -0.87 0.00 0.00 176.83 177.56 1hqz h ARG 13 N 0.83 -0.17 -0.16 4.77 2.43 -1.86 0.13 114.38 120.35 1hqz h ARG 13 Ca 0.36 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1hqz h ARG 13 Cb 0.33 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1hqz h ARG 13 CO -0.14 -0.11 0.02 0.93 -1.51 0.00 0.00 179.97 179.16 1hqz h GLU 14 N -0.17 0.27 0.38 0.20 3.07 -1.91 -2.37 114.58 114.04 1hqz h GLU 14 Ca 0.08 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1hqz h GLU 14 Cb 0.29 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1hqz h GLU 14 CO -0.20 0.45 -0.18 0.82 -1.40 0.00 0.00 179.01 178.49 1hqz h ILE 15 N 0.04 0.63 -0.77 3.13 2.04 -1.32 -2.67 117.51 118.59 1hqz h ILE 15 Ca 0.05 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1hqz h ILE 15 Cb 0.31 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1hqz h ILE 15 CO 0.00 0.05 0.51 0.44 0.00 0.00 0.00 178.15 179.15 1hqz h ASP 16 N -0.65 0.81 -0.38 1.72 3.32 -0.83 0.17 116.42 120.58 1hqz h ASP 16 Ca -0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1hqz h ASP 16 Cb 0.47 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1hqz h ASP 16 CO 0.09 0.55 0.23 0.00 -1.72 0.00 0.00 179.24 178.39 1hqz h ALA 17 N 1.55 0.48 -0.30 3.45 0.00 -1.36 0.27 119.26 123.36 1hqz h ALA 17 Ca 0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1hqz h ALA 17 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hqz h ALA 17 CO -0.09 -0.02 -0.10 0.93 0.00 0.00 0.00 179.25 179.97 1hqz h GLU 18 N 0.50 0.60 -0.49 0.00 4.39 -1.00 -2.84 114.58 115.73 1hqz h GLU 18 Ca 0.14 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.66 1hqz h GLU 18 Cb 0.00 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.57 1hqz h GLU 18 CO -0.03 0.80 0.16 -0.92 -1.16 0.00 0.00 179.01 177.87 1hqz h TYR 19 N 0.36 0.27 -0.15 4.33 3.20 -0.44 -1.87 116.97 122.66 1hqz h TYR 19 Ca 0.07 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1hqz h TYR 19 Cb 0.60 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1hqz h TYR 19 CO 0.05 0.08 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.40 1hqz h LEU 20 N 0.32 0.24 -0.90 2.82 3.38 -0.92 -2.00 115.31 118.26 1hqz h LEU 20 Ca 0.24 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1hqz h LEU 20 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1hqz h LEU 20 CO -0.26 0.44 0.10 0.11 0.09 0.00 0.00 178.44 178.92 1hqz h LYS 21 N 0.23 0.92 0.14 1.13 1.57 -1.10 -1.90 116.57 117.56 1hqz h LYS 21 Ca 0.04 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1hqz h LYS 21 Cb 0.47 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1hqz h LYS 21 CO 0.03 0.85 -0.07 0.82 -0.57 0.00 0.00 179.45 180.51 1hqz h ILE 22 N 0.87 0.92 0.00 1.86 2.04 -1.01 -0.09 117.51 122.10 1hqz h ILE 22 Ca 0.18 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1hqz h ILE 22 Cb 0.37 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1hqz h ILE 22 CO 0.01 0.24 -0.17 -0.37 0.00 0.00 0.00 178.15 177.86 1hqz h VAL 23 N -0.85 0.76 0.00 1.67 -1.51 -1.43 -2.71 116.25 112.18 1hqz h VAL 23 Ca -0.02 -0.69 -0.13 0.00 -1.23 0.00 0.00 66.70 64.64 1hqz h VAL 23 Cb 0.54 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 1hqz h VAL 23 CO 0.03 0.17 -1.25 0.03 -1.23 0.00 0.00 177.57 175.32 1hqz h ARG 24 N 0.00 0.00 -2.93 5.19 3.08 -1.41 -3.48 114.38 114.82 1hqz h ARG 24 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1hqz h ARG 24 Cb 0.40 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.49 1hqz h ARG 24 CO 0.02 0.24 -0.38 0.41 -1.07 0.00 0.00 179.97 179.20 1hqz n GLY 25 N 1.34 -0.07 0.01 0.04 0.00 -0.08 -4.92 105.19 101.51 1hqz n GLY 25 Ca -0.07 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.89 0.15 -3.50 1.61 3.41 -0.99 -4.70 113.62 108.71 1hqz n SER 26 Ca -0.07 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.54 1hqz n SER 26 Cb 0.58 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.94 1.83 0.66 4.04 2.15 -1.26 -5.02 116.67 116.13 1hqz s ASP 27 Ca 0.15 -0.50 0.33 0.00 0.43 0.00 0.00 52.55 52.96 1hqz s ASP 27 Cb 0.19 0.23 1.82 0.00 -0.30 0.00 0.00 42.92 44.86 1hqz s ASP 27 CO 0.56 -0.36 2.04 1.55 -0.17 0.00 0.00 175.17 178.80 1hqz h PRO 28 N 8.33 0.00 -0.00 4.34 0.13 -1.95 0.00 132.00 142.85 1hqz h PRO 28 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.31 0.00 -0.29 -0.25 -0.23 0.00 0.00 178.00 177.55 1hqz n ASP 29 N -3.05 0.32 -3.70 1.44 10.43 -1.26 -4.60 116.55 116.13 1hqz n ASP 29 Ca -0.01 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.05 1hqz n ASP 29 Cb 0.32 -0.05 -0.15 0.00 1.84 0.00 0.00 41.12 43.08 1hqz n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1hqz s THR 30 N -2.96 0.82 -0.11 -3.53 2.01 -0.01 -3.63 115.64 108.24 1hqz s THR 30 Ca 0.13 -1.52 0.01 0.00 0.31 0.00 0.00 61.69 60.63 1hqz s THR 30 Cb 0.18 -1.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 1hqz s THR 30 CO 0.62 -0.73 0.24 0.35 -0.69 0.00 0.00 174.62 174.41 1hqz n THR 31 N 4.66 0.00 -3.90 -0.82 -2.24 0.14 -4.42 114.28 107.69 1hqz n THR 31 Ca -0.00 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.21 1hqz n THR 31 Cb 0.41 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.74 0.22 -0.08 4.78 1.48 -1.09 -0.07 118.94 123.44 1hqz s TRP 32 Ca 0.01 -0.68 -0.18 0.00 -1.06 0.00 0.00 56.10 54.19 1hqz s TRP 32 Cb 0.01 -0.13 0.04 0.00 -1.16 0.00 0.00 33.47 32.23 1hqz s TRP 32 CO 0.04 -0.51 0.42 -1.17 -4.06 0.00 0.00 176.95 171.67 1hqz s LEU 33 N -2.86 0.39 -0.06 -4.66 2.96 0.42 -2.91 118.68 111.96 1hqz s LEU 33 Ca 0.05 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1hqz s LEU 33 Cb 0.05 1.58 0.01 0.00 0.50 0.00 0.00 46.19 48.34 1hqz s LEU 33 CO -0.11 -0.37 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.82 1hqz s ILE 34 N -0.73 0.97 0.01 6.68 1.01 -0.41 -0.53 121.20 128.20 1hqz s ILE 34 Ca -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1hqz s ILE 34 Cb -0.04 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1hqz s ILE 34 CO 0.04 0.32 -0.04 0.27 0.00 0.00 0.00 174.94 175.52 1hqz s ILE 35 N 0.69 3.81 0.06 2.92 -4.36 -0.36 0.15 121.20 124.11 1hqz s ILE 35 Ca -0.13 -0.74 -0.03 0.00 -0.26 0.00 0.00 60.65 59.49 1hqz s ILE 35 Cb -0.15 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 1hqz s ILE 35 CO 0.03 0.37 0.03 -0.55 0.24 0.00 0.00 174.94 175.05 1hqz s SER 36 N -1.51 0.38 0.14 4.36 0.15 -0.33 -2.44 113.70 114.45 1hqz s SER 36 Ca 0.18 -0.88 -0.30 0.00 0.70 0.00 0.00 55.95 55.65 1hqz s SER 36 Cb -0.11 0.23 -0.06 0.00 -1.71 0.00 0.00 66.02 64.36 1hqz s SER 36 CO 0.09 -0.61 0.95 -2.16 1.20 0.00 0.00 173.24 172.71 1hqz s PRO 37 N -3.75 4.73 0.88 5.44 0.04 -1.26 -1.42 135.00 139.66 1hqz s PRO 37 Ca 0.05 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1hqz s PRO 37 Cb 0.06 -3.36 0.18 0.00 0.04 0.00 0.00 34.50 31.42 1hqz s PRO 37 CO -0.10 0.28 1.21 0.54 0.04 0.00 0.00 177.00 178.97 1hqz s ASN 38 N -0.24 3.50 0.50 6.66 2.20 0.12 -4.82 114.94 122.87 1hqz s ASN 38 Ca 0.46 0.03 0.29 0.00 -0.94 0.00 0.00 52.86 52.70 1hqz s ASN 38 Cb -0.24 -0.17 1.39 0.00 -2.00 0.00 0.00 41.25 40.24 1hqz s ASN 38 CO 0.30 -2.46 1.84 0.00 -2.94 0.00 0.00 177.10 173.85 1hqz h ALA 39 N -1.27 2.75 -0.32 3.54 0.00 -1.97 0.69 119.26 122.67 1hqz h ALA 39 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hqz h ALA 39 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1hqz h ALA 39 CO 0.38 -1.05 0.00 1.63 0.00 0.00 0.00 179.25 180.21 1hqz n LYS 40 N -4.33 1.85 -2.16 0.00 5.02 -1.26 -4.89 118.16 112.39 1hqz n LYS 40 Ca 0.22 -1.19 -0.15 0.00 -2.02 0.00 0.00 58.31 55.17 1hqz n LYS 40 Cb 0.99 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.67 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 -1.14 -4.16 1.97 5.02 0.24 -5.00 118.16 115.52 1hqz n LYS 41 Ca 0.11 0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 56.80 1hqz n LYS 41 Cb 0.31 -5.03 -0.10 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 -4.52 3.70 0.28 1.97 2.02 -1.25 -4.48 118.70 116.42 1hqz s GLU 42 Ca 0.00 -0.39 -0.28 0.00 0.02 0.00 0.00 54.97 54.33 1hqz s GLU 42 Cb 0.00 -3.06 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 1hqz s GLU 42 CO 0.00 0.37 0.94 0.71 0.02 0.00 0.00 175.26 177.30 1hqz s TYR 43 N 0.06 3.82 0.13 1.61 1.51 -0.23 0.12 117.35 124.36 1hqz s TYR 43 Ca 0.04 1.83 -0.21 0.00 -1.01 0.00 0.00 57.07 57.72 1hqz s TYR 43 Cb -0.13 -2.94 0.06 0.00 -0.11 0.00 0.00 41.96 38.84 1hqz s TYR 43 CO 0.01 0.32 0.53 -1.83 -1.11 0.00 0.00 175.55 173.47 1hqz s GLU 44 N -1.68 1.17 0.12 -0.62 -1.05 -0.50 -4.44 118.70 111.70 1hqz s GLU 44 Ca 0.46 -0.50 -0.32 0.00 -0.15 0.00 0.00 54.97 54.46 1hqz s GLU 44 Cb -0.22 0.53 -0.12 0.00 -0.44 0.00 0.00 34.13 33.89 1hqz s GLU 44 CO 0.27 -0.48 1.77 -0.35 0.95 0.00 0.00 175.26 177.42 1hqz n PRO 45 N -0.19 2.58 -0.09 -4.83 -0.04 -1.26 -1.19 135.00 129.97 1hqz n PRO 45 Ca -0.17 0.94 -0.17 0.00 -0.04 0.00 0.00 63.50 64.06 1hqz n PRO 45 Cb 0.64 -2.79 -0.13 0.00 -0.04 0.00 0.00 33.50 31.17 1hqz n PRO 45 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1hqz n GLU 46 N 5.04 0.68 -3.44 0.54 2.13 0.12 -4.85 120.64 120.86 1hqz n GLU 46 Ca 0.18 0.16 -0.13 0.00 0.66 0.00 0.00 57.16 58.03 1hqz n GLU 46 Cb 0.34 -1.57 -0.03 0.00 0.27 0.00 0.00 31.44 30.45 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 -6.48 -0.59 0.11 4.31 1.04 -1.13 -5.02 113.70 105.94 1hqz s SER 47 Ca -0.28 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 1hqz s SER 47 Cb 0.08 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 1hqz s SER 47 CO 0.68 -0.90 0.12 0.42 0.98 0.00 0.00 173.24 174.54 1hqz s THR 48 N -3.24 0.13 0.00 2.02 -4.23 -1.26 -1.28 115.64 107.77 1hqz s THR 48 Ca -0.01 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1hqz s THR 48 Cb -0.01 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1hqz s THR 48 CO -0.08 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 1hqz n GLY 49 N -0.07 1.33 0.00 3.99 0.00 -1.15 -5.01 105.19 104.29 1hqz n GLY 49 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.39 1.09 -4.60 1.61 3.41 -1.24 0.24 113.62 113.75 1hqz n SER 50 Ca 0.00 -0.25 -0.39 0.00 -0.26 0.00 0.00 58.87 57.97 1hqz n SER 50 Cb 0.00 0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.93 6.18 0.20 4.04 0.15 -1.26 -4.77 113.70 117.30 1hqz s SER 51 Ca 0.00 0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.74 1hqz s SER 51 Cb 0.00 -2.18 0.14 0.00 -1.71 0.00 0.00 66.02 62.27 1hqz s SER 51 CO 0.00 -0.15 1.68 0.15 1.20 0.00 0.00 173.24 176.12 1hqz h PHE 52 N 8.25 1.10 -0.33 3.44 3.57 -1.95 -1.01 116.94 130.02 1hqz h PHE 52 Ca -0.33 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.04 1hqz h PHE 52 Cb 1.17 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1hqz h PHE 52 CO 0.75 0.97 0.09 1.25 -2.23 0.00 0.00 178.31 179.15 1hqz h HIS 53 N 0.93 0.17 -0.13 0.41 2.76 -2.01 -2.28 115.15 115.00 1hqz h HIS 53 Ca 0.17 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1hqz h HIS 53 Cb 0.53 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1hqz h HIS 53 CO 0.04 0.06 0.04 -0.44 -1.30 0.00 0.00 177.93 176.33 1hqz h ASP 54 N 0.23 0.19 -0.92 3.26 3.45 -1.92 -3.07 116.42 117.64 1hqz h ASP 54 Ca 0.15 -0.20 0.14 0.00 0.43 0.00 0.00 57.03 57.54 1hqz h ASP 54 Cb 0.14 -0.05 -0.15 0.00 -0.56 0.00 0.00 39.33 38.71 1hqz h ASP 54 CO -0.17 0.34 -0.37 0.33 -1.57 0.00 0.00 179.24 177.80 1hqz n PHE 55 N -4.87 0.00 0.23 4.55 7.35 -0.41 0.72 117.46 125.04 1hqz n PHE 55 Ca -0.05 1.13 0.15 0.00 -0.76 0.00 0.00 57.45 57.91 1hqz n PHE 55 Cb 0.14 -0.83 0.79 0.00 0.35 0.00 0.00 39.48 39.93 1hqz n PHE 55 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1hqz h LEU 56 N 0.00 0.00 -2.68 -2.13 3.38 -1.32 -1.76 115.31 110.79 1hqz h LEU 56 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1hqz h LEU 56 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1hqz h LEU 56 CO -0.91 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.62 1hqz n GLN 57 N -2.53 2.58 -0.12 1.13 6.02 0.22 -4.58 117.38 120.09 1hqz n GLN 57 Ca -0.02 -2.02 0.12 0.00 -0.01 0.00 0.00 57.00 55.07 1hqz n GLN 57 Cb 0.07 -1.30 0.19 0.00 1.02 0.00 0.00 30.24 30.22 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 0.67 3.23 -4.79 1.08 4.77 -0.66 -4.97 117.00 116.33 1hqz n LEU 58 Ca 0.13 -1.29 -0.36 0.00 -0.03 0.00 0.00 56.01 54.46 1hqz n LEU 58 Cb 0.43 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1hqz n LEU 58 CO 0.09 0.64 0.72 -0.36 -1.33 0.00 0.00 177.39 177.15 1hqz s PHE 59 N -1.68 3.29 -0.25 -1.77 0.40 -1.26 -5.02 117.98 111.68 1hqz s PHE 59 Ca 0.35 1.65 -0.18 0.00 -0.60 0.00 0.00 56.93 58.15 1hqz s PHE 59 Cb 0.22 -3.08 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 1hqz s PHE 59 CO 0.31 -0.52 0.50 0.34 0.70 0.00 0.00 175.22 176.55 1hqz s ASP 60 N -1.66 6.44 0.00 1.36 -1.08 -1.26 -4.97 116.67 115.49 1hqz s ASP 60 Ca 0.58 0.53 0.10 0.00 -0.52 0.00 0.00 52.55 53.24 1hqz s ASP 60 Cb -0.20 -2.28 0.52 0.00 -1.46 0.00 0.00 42.92 39.51 1hqz s ASP 60 CO 0.25 -0.26 1.17 -1.84 0.52 0.00 0.00 175.17 175.01 1hqz n GLU 61 N 5.41 0.18 0.00 4.34 0.28 -1.26 -2.38 120.64 127.21 1hqz n GLU 61 Ca -0.05 0.15 0.05 0.00 -0.16 0.00 0.00 57.16 57.16 1hqz n GLU 61 Cb 0.50 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.90 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 -1.23 0.00 -4.14 3.84 -2.24 -1.26 -3.59 114.28 105.65 1hqz n THR 62 Ca 0.05 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1hqz n THR 62 Cb 0.07 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.91 0.72 -0.23 -0.78 1.02 -1.00 -4.02 119.74 114.53 1hqz s LYS 63 Ca 0.10 -0.86 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 1hqz s LYS 63 Cb 0.08 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.74 1hqz s LYS 63 CO 0.15 0.14 0.86 0.08 -0.92 0.00 0.00 175.35 175.66 1hqz s VAL 64 N -1.26 4.82 0.32 3.17 1.01 -1.26 -4.46 120.40 122.74 1hqz s VAL 64 Ca -0.05 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.63 1hqz s VAL 64 Cb -0.10 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1hqz s VAL 64 CO 0.02 -0.07 0.06 -1.10 0.00 0.00 0.00 175.10 174.01 1hqz s GLN 65 N 2.78 1.65 -0.05 2.72 -0.21 -0.15 -4.53 119.66 121.86 1hqz s GLN 65 Ca 0.37 -1.92 0.01 0.00 0.02 0.00 0.00 55.36 53.84 1hqz s GLN 65 Cb -0.15 -0.82 0.02 0.00 1.00 0.00 0.00 33.01 33.06 1hqz s GLN 65 CO 0.08 -0.21 -0.05 0.71 -2.12 0.00 0.00 175.29 173.70 1hqz s TYR 66 N -3.33 0.88 0.13 0.91 1.51 -1.02 -0.90 117.35 115.53 1hqz s TYR 66 Ca 0.36 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 56.21 1hqz s TYR 66 Cb 0.08 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1hqz s TYR 66 CO 0.15 -0.23 0.00 0.20 -1.11 0.00 0.00 175.55 174.57 1hqz s GLY 67 N 0.99 1.81 -0.04 0.71 0.00 -0.20 -1.22 107.32 109.37 1hqz s GLY 67 Ca -0.10 -1.24 -0.00 0.00 0.00 0.00 0.00 44.72 43.38 1hqz s GLY 67 CO -0.00 -1.23 0.02 -2.27 0.00 0.00 0.00 173.10 169.61 1hqz s LEU 68 N -2.63 0.83 -0.02 0.66 2.96 0.31 -0.90 118.68 119.89 1hqz s LEU 68 Ca 0.27 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1hqz s LEU 68 Cb -0.11 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.36 1hqz s LEU 68 CO 0.19 -0.15 0.04 0.00 -1.32 0.00 0.00 176.35 175.10 1hqz s ALA 69 N 1.45 -0.05 -0.33 5.97 0.00 0.34 -0.44 121.76 128.71 1hqz s ALA 69 Ca -0.04 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1hqz s ALA 69 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1hqz s ALA 69 CO -0.03 -0.04 0.22 0.50 0.00 0.00 0.00 175.76 176.41 1hqz s ARG 70 N 0.34 3.55 0.05 0.00 3.52 0.89 -0.49 118.95 126.80 1hqz s ARG 70 Ca -0.03 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 55.00 1hqz s ARG 70 Cb -0.04 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1hqz s ARG 70 CO -0.01 -0.40 -0.09 0.08 -0.81 0.00 0.00 175.30 174.07 1hqz s VAL 71 N 1.72 0.63 -0.16 7.11 1.01 0.57 -4.84 120.40 126.43 1hqz s VAL 71 Ca 0.06 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 1hqz s VAL 71 Cb -0.17 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1hqz s VAL 71 CO 0.10 -0.34 -0.07 -0.55 0.00 0.00 0.00 175.10 174.24 1hqz s SER 72 N -1.56 4.40 0.98 3.32 0.15 -1.26 -0.00 113.70 119.72 1hqz s SER 72 Ca -0.08 -0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.18 1hqz s SER 72 Cb -0.10 -1.71 0.18 0.00 -1.71 0.00 0.00 66.02 62.68 1hqz s SER 72 CO 0.01 0.12 1.09 -2.16 1.20 0.00 0.00 173.24 173.49 1hqz s PRO 73 N 0.66 0.58 0.00 5.44 0.04 -1.26 -4.95 135.00 135.52 1hqz s PRO 73 Ca -0.04 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1hqz s PRO 73 Cb -0.15 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1hqz s PRO 73 CO 0.02 -2.68 0.03 -2.30 0.04 0.00 0.00 177.00 172.12 1hqz n PRO 74 N -4.17 0.00 -2.40 0.56 -0.02 -1.26 -2.51 135.00 125.20 1hqz n PRO 74 Ca 0.06 0.03 -0.38 0.00 -2.02 0.00 0.00 63.50 61.20 1hqz n PRO 74 Cb 0.56 -0.11 0.02 0.00 -0.02 0.00 0.00 33.50 33.95 1hqz n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqz n GLY 75 N -0.28 5.85 3.18 -1.23 0.00 -1.26 -4.96 105.19 106.49 1hqz n GLY 75 Ca 0.00 -2.59 -0.12 0.00 0.00 0.00 0.00 46.02 43.31 1hqz n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hqz s SER 76 N -1.71 -0.11 0.02 1.61 0.15 -1.04 -5.01 113.70 107.60 1hqz s SER 76 Ca 0.46 -0.02 0.22 0.00 0.70 0.00 0.00 55.95 57.31 1hqz s SER 76 Cb 0.31 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1hqz s SER 76 CO -0.24 -0.41 0.97 0.47 1.20 0.00 0.00 173.24 175.23 1hqz n ASP 77 N 1.38 0.67 -4.74 5.45 8.00 -1.26 -4.44 116.55 121.62 1hqz n ASP 77 Ca -0.22 -0.49 -0.42 0.00 0.71 0.00 0.00 54.79 54.38 1hqz n ASP 77 Cb 0.56 0.94 -0.02 0.00 -0.02 0.00 0.00 41.12 42.57 1hqz n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1hqz s VAL 78 N -3.13 2.05 -0.17 2.53 1.01 -1.26 -4.96 120.40 116.47 1hqz s VAL 78 Ca 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1hqz s VAL 78 Cb 0.15 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1hqz s VAL 78 CO 0.83 0.01 0.02 -1.61 0.00 0.00 0.00 175.10 174.34 1hqz s GLU 79 N 0.15 3.82 0.18 2.72 0.41 -1.26 -3.99 118.70 120.73 1hqz s GLU 79 Ca 0.68 -0.41 0.09 0.00 -0.41 0.00 0.00 54.97 54.91 1hqz s GLU 79 Cb -0.49 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 28.74 1hqz s GLU 79 CO 0.42 0.29 -0.18 0.15 -0.49 0.00 0.00 175.26 175.45 1hqz s LYS 80 N 0.30 1.32 -0.16 1.61 -0.14 1.00 -4.92 119.74 118.74 1hqz s LYS 80 Ca 0.01 -1.48 -0.05 0.00 -1.36 0.00 0.00 55.97 53.09 1hqz s LYS 80 Cb -0.13 -1.32 -0.03 0.00 -1.68 0.00 0.00 37.83 34.66 1hqz s LYS 80 CO 0.01 0.26 0.01 0.42 -0.76 0.00 0.00 175.35 175.29 1hqz s ILE 81 N -2.29 4.30 -0.01 2.17 -1.09 -1.26 -0.32 121.20 122.71 1hqz s ILE 81 Ca 0.18 -0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.46 1hqz s ILE 81 Cb -0.05 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.91 1hqz s ILE 81 CO 0.07 0.49 -0.23 -0.51 -1.23 0.00 0.00 174.94 173.53 1hqz s ILE 82 N 0.25 1.81 -0.01 2.92 2.07 0.35 0.55 121.20 129.15 1hqz s ILE 82 Ca 0.00 -1.03 0.08 0.00 -1.41 0.00 0.00 60.65 58.29 1hqz s ILE 82 Cb -0.13 -1.52 -0.02 0.00 0.13 0.00 0.00 42.46 40.92 1hqz s ILE 82 CO 0.02 0.47 -0.24 0.27 -1.91 0.00 0.00 174.94 173.54 1hqz s ILE 83 N -0.58 1.94 -0.12 2.00 -4.36 -0.45 -0.50 121.20 119.12 1hqz s ILE 83 Ca 0.09 -1.09 0.02 0.00 -0.26 0.00 0.00 60.65 59.41 1hqz s ILE 83 Cb -0.09 -1.62 -0.01 0.00 1.25 0.00 0.00 42.46 42.00 1hqz s ILE 83 CO -0.00 0.51 -0.19 -0.63 0.24 0.00 0.00 174.94 174.87 1hqz s ILE 84 N -0.61 2.50 -0.47 8.37 -1.09 -0.08 -1.27 121.20 128.56 1hqz s ILE 84 Ca 0.10 -0.86 -0.14 0.00 -2.23 0.00 0.00 60.65 57.52 1hqz s ILE 84 Cb -0.09 -2.01 0.09 0.00 -1.58 0.00 0.00 42.46 38.87 1hqz s ILE 84 CO -0.00 0.54 0.38 -0.83 -1.23 0.00 0.00 174.94 173.79 1hqz s GLY 85 N 0.41 2.04 -0.43 6.18 0.00 0.81 -1.03 107.32 115.29 1hqz s GLY 85 Ca -0.14 -2.23 -0.17 0.00 0.00 0.00 0.00 44.72 42.18 1hqz s GLY 85 CO 0.06 1.06 0.43 0.86 0.00 0.00 0.00 173.10 175.51 1hqz s TRP 86 N 1.56 3.18 -0.43 1.90 -0.11 -0.08 -0.36 118.94 124.60 1hqz s TRP 86 Ca 0.04 -0.48 0.02 0.00 1.22 0.00 0.00 56.10 56.90 1hqz s TRP 86 Cb -0.25 -2.93 0.13 0.00 -1.50 0.00 0.00 33.47 28.92 1hqz s TRP 86 CO 0.04 -0.72 0.20 0.00 -4.62 0.00 0.00 176.95 171.86 1hqz s PRO 88 N 0.44 4.19 0.44 0.00 0.04 -1.25 -4.27 135.00 134.59 1hqz s PRO 88 Ca 0.16 1.03 0.13 0.00 0.04 0.00 0.00 61.00 62.35 1hqz s PRO 88 Cb -0.23 -2.25 1.03 0.00 0.04 0.00 0.00 34.50 33.08 1hqz s PRO 88 CO -0.04 0.02 2.02 -0.44 0.04 0.00 0.00 177.00 178.60 1hqz h ASP 89 N 2.02 0.34 0.02 6.66 3.32 -1.80 -1.73 116.42 125.25 1hqz h ASP 89 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1hqz h ASP 89 Cb 1.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1hqz h ASP 89 CO 0.62 0.22 0.00 -1.20 -1.72 0.00 0.00 179.24 177.16 1hqz n SER 90 N -4.47 0.00 -4.82 6.45 7.64 -1.24 -4.82 113.62 112.36 1hqz n SER 90 Ca 0.06 -0.84 -0.32 0.00 1.01 0.00 0.00 58.87 58.78 1hqz n SER 90 Cb 0.26 -0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 -2.03 2.86 0.27 -0.43 0.00 -0.65 -4.67 121.76 117.11 1hqz s ALA 91 Ca 0.41 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1hqz s ALA 91 Cb 0.19 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 20.00 1hqz s ALA 91 CO 0.33 -0.65 1.47 -2.30 0.00 0.00 0.00 175.76 174.61 1hqz n PRO 92 N -2.01 2.30 -0.34 0.00 -0.02 -1.26 -4.79 135.00 128.87 1hqz n PRO 92 Ca 0.08 0.82 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 1hqz n PRO 92 Cb 0.53 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.53 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 4.31 -1.37 -0.77 2.45 5.85 -1.93 -0.27 115.31 123.59 1hqz h LEU 93 Ca -0.46 0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1hqz h LEU 93 Cb 1.26 0.72 -0.05 0.00 0.37 0.00 0.00 40.66 42.95 1hqz h LEU 93 CO 0.76 -0.29 0.46 0.11 -0.34 0.00 0.00 178.44 179.14 1hqz h LYS 94 N -0.04 0.84 -0.36 1.25 1.57 -1.99 0.13 116.57 117.98 1hqz h LYS 94 Ca 0.33 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1hqz h LYS 94 Cb 0.59 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1hqz h LYS 94 CO -0.92 0.56 -0.09 1.79 -0.57 0.00 0.00 179.45 180.21 1hqz h THR 95 N 0.86 1.24 -0.28 -0.16 1.35 -1.45 -1.72 112.91 112.74 1hqz h THR 95 Ca 0.33 -1.03 -0.18 0.00 -0.55 0.00 0.00 66.41 64.98 1hqz h THR 95 Cb 0.13 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1hqz h THR 95 CO -0.16 0.35 -0.52 0.03 -0.25 0.00 0.00 175.52 174.97 1hqz h ARG 96 N 0.56 0.81 0.00 4.72 3.08 -0.51 -1.94 114.38 121.10 1hqz h ARG 96 Ca 0.10 -0.49 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 1hqz h ARG 96 Cb 0.49 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1hqz h ARG 96 CO 0.03 1.13 -0.28 0.00 -1.07 0.00 0.00 179.97 179.77 1hqz h ALA 97 N 0.78 1.39 -0.10 0.04 0.00 -0.72 -2.44 119.26 118.21 1hqz h ALA 97 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1hqz h ALA 97 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1hqz h ALA 97 CO 0.11 0.35 0.00 0.43 0.00 0.00 0.00 179.25 180.14 1hqz n SER 98 N -3.99 2.37 0.15 0.00 7.64 -0.67 -4.55 113.62 114.56 1hqz n SER 98 Ca -0.02 -1.79 -0.13 0.00 1.01 0.00 0.00 58.87 57.94 1hqz n SER 98 Cb 0.35 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 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 3.52 -0.55 -0.65 1.43 3.57 -0.84 -0.60 116.94 122.82 1hqz h PHE 99 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1hqz h PHE 99 Cb 0.75 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.61 1hqz h PHE 99 CO 0.05 -0.31 0.13 0.00 -2.23 0.00 0.00 178.31 175.96 1hqz h ALA 100 N 0.28 0.78 -0.01 2.41 0.00 -1.80 0.72 119.26 121.64 1hqz h ALA 100 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hqz h ALA 100 Cb 0.42 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1hqz h ALA 100 CO -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1hqz h ALA 101 N 1.53 0.01 -0.39 0.00 0.00 -1.84 -1.51 119.26 117.06 1hqz h ALA 101 Ca 0.35 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1hqz h ALA 101 Cb 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1hqz h ALA 101 CO -0.45 -0.35 0.01 -0.91 0.00 0.00 0.00 179.25 177.55 1hqz h ASN 102 N -0.25 0.58 -0.27 0.00 2.35 -0.30 -1.08 115.58 116.61 1hqz h ASN 102 Ca 0.00 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 1hqz h ASN 102 Cb 0.27 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1hqz h ASN 102 CO 0.00 0.65 -0.14 0.15 -1.65 0.00 0.00 177.43 176.44 1hqz h PHE 103 N 0.59 0.66 -0.44 1.19 3.57 0.49 -0.96 116.94 122.03 1hqz h PHE 103 Ca 0.12 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1hqz h PHE 103 Cb 0.36 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1hqz h PHE 103 CO 0.01 0.83 0.13 0.00 -2.23 0.00 0.00 178.31 177.05 1hqz h ALA 104 N 0.74 0.51 0.16 2.41 0.00 -0.99 0.12 119.26 122.20 1hqz h ALA 104 Ca 0.06 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1hqz h ALA 104 Cb 0.65 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1hqz h ALA 104 CO 0.04 -0.27 -0.34 0.00 0.00 0.00 0.00 179.25 178.68 1hqz h ALA 105 N 1.31 -0.61 -0.48 0.00 0.00 -0.93 0.43 119.26 118.99 1hqz h ALA 105 Ca 0.21 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1hqz h ALA 105 Cb 0.24 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1hqz h ALA 105 CO -0.25 -0.90 0.18 0.28 0.00 0.00 0.00 179.25 178.56 1hqz h VAL 106 N -0.59 0.85 -0.44 0.00 2.07 -0.82 0.25 116.25 117.58 1hqz h VAL 106 Ca 0.02 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1hqz h VAL 106 Cb 0.60 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1hqz h VAL 106 CO -0.18 0.07 0.09 0.00 0.02 0.00 0.00 177.57 177.57 1hqz h ALA 107 N 1.31 1.34 0.00 1.67 0.00 -0.35 0.36 119.26 123.60 1hqz h ALA 107 Ca 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1hqz h ALA 107 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1hqz h ALA 107 CO -0.22 0.47 -1.68 0.09 0.00 0.00 0.00 179.25 177.90 1hqz n ASN 108 N -4.30 0.34 0.00 0.00 3.02 0.10 -4.22 115.26 110.20 1hqz n ASN 108 Ca 0.03 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1hqz n ASN 108 Cb 0.21 1.27 0.00 0.00 -0.61 0.00 0.00 39.78 40.65 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 -2.49 1.21 0.01 6.41 3.02 0.85 -4.85 115.26 119.41 1hqz n ASN 109 Ca -0.06 -0.29 -0.01 0.00 -0.03 0.00 0.00 54.58 54.19 1hqz n ASN 109 Cb 0.64 0.83 -0.00 0.00 -0.61 0.00 0.00 39.78 40.64 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 -0.95 0.59 -3.23 3.41 7.94 -0.37 -4.81 117.00 119.57 1hqz n LEU 110 Ca 0.00 0.08 -0.37 0.00 -1.11 0.00 0.00 56.01 54.61 1hqz n LEU 110 Cb 0.00 -0.27 -0.01 0.00 0.53 0.00 0.00 43.42 43.67 1hqz n LEU 110 CO 0.00 -0.56 1.93 0.49 -1.11 0.00 0.00 177.39 178.15 1hqz n PHE 111 N -3.05 2.43 -2.32 1.96 0.99 -0.02 -4.99 117.46 112.46 1hqz n PHE 111 Ca -0.02 -2.52 -0.36 0.00 -0.00 0.00 0.00 57.45 54.56 1hqz n PHE 111 Cb 0.06 -1.54 -0.01 0.00 -1.00 0.00 0.00 39.48 36.99 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 -2.22 3.71 0.00 -1.08 1.02 -1.26 -3.88 119.74 116.04 1hqz s LYS 112 Ca 0.52 1.67 0.00 0.00 0.02 0.00 0.00 55.97 58.18 1hqz s LYS 112 Cb 0.26 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1hqz s LYS 112 CO -0.16 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1hqz n GLY 113 N 0.31 0.71 3.78 -3.33 0.00 -1.26 -5.07 105.19 100.33 1hqz n GLY 113 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 2.74 -0.07 1.61 -0.85 -1.25 -4.69 117.35 112.83 1hqz s TYR 114 Ca 0.00 1.53 0.07 0.00 -0.52 0.00 0.00 57.07 58.15 1hqz s TYR 114 Cb 0.00 -3.06 -0.10 0.00 0.38 0.00 0.00 41.96 39.18 1hqz s TYR 114 CO 0.00 -1.57 0.04 0.72 -1.52 0.00 0.00 175.55 173.22 1hqz n HIS 115 N -2.83 0.00 -4.87 -3.49 8.25 0.19 -4.93 115.22 107.54 1hqz n HIS 115 Ca 0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.30 1hqz n HIS 115 Cb 0.53 -0.36 -0.15 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.21 1.43 -0.08 1.59 1.01 -0.72 -5.02 120.40 116.40 1hqz s VAL 116 Ca -0.04 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1hqz s VAL 116 Cb 0.02 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1hqz s VAL 116 CO 0.31 0.41 -0.22 -1.58 0.00 0.00 0.00 175.10 174.02 1hqz s GLN 117 N -0.36 2.59 -0.05 2.72 0.74 -1.26 -1.34 119.66 122.69 1hqz s GLN 117 Ca 0.05 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.69 1hqz s GLN 117 Cb -0.08 -2.05 0.02 0.00 1.10 0.00 0.00 33.01 32.00 1hqz s GLN 117 CO -0.00 0.21 -0.09 0.08 -0.55 0.00 0.00 175.29 174.94 1hqz s VAL 118 N 0.23 0.86 -0.29 1.34 1.01 -0.39 -4.98 120.40 118.17 1hqz s VAL 118 Ca -0.13 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1hqz s VAL 118 Cb -0.16 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1hqz s VAL 118 CO 0.06 0.29 0.26 -0.89 0.00 0.00 0.00 175.10 174.82 1hqz s THR 119 N 0.77 5.26 -0.12 3.92 2.01 -1.26 -0.14 115.64 126.08 1hqz s THR 119 Ca -0.13 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.10 1hqz s THR 119 Cb -0.15 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1hqz s THR 119 CO 0.02 0.16 -0.20 0.00 -0.69 0.00 0.00 174.62 173.91 1hqz s ALA 120 N 1.86 2.05 -0.14 7.40 0.00 0.51 -4.95 121.76 128.49 1hqz s ALA 120 Ca 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1hqz s ALA 120 Cb -0.16 -0.89 -0.23 0.00 0.00 0.00 0.00 23.12 21.83 1hqz s ALA 120 CO 0.11 0.04 0.26 -2.13 0.00 0.00 0.00 175.76 174.04 1hqz n ARG 121 N 3.96 0.70 -3.91 0.00 0.63 -1.26 -0.74 116.66 116.04 1hqz n ARG 121 Ca -0.20 0.21 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 1hqz n ARG 121 Cb 0.52 -1.66 -0.01 0.00 0.45 0.00 0.00 32.46 31.75 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 -6.49 0.06 0.62 6.15 3.84 -1.26 -3.85 116.67 115.74 1hqz s ASP 122 Ca -0.19 -1.01 0.28 0.00 -0.00 0.00 0.00 52.55 51.63 1hqz s ASP 122 Cb 0.07 0.73 1.45 0.00 -1.38 0.00 0.00 42.92 43.80 1hqz s ASP 122 CO 0.75 -1.42 1.85 -0.33 -0.00 0.00 0.00 175.17 176.03 1hqz h GLU 123 N 2.07 0.00 0.00 2.11 5.08 -1.95 -0.46 114.58 121.43 1hqz h GLU 123 Ca -0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1hqz h GLU 123 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1hqz h GLU 123 CO 0.34 0.00 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.87 1hqz h ASP 124 N 0.00 0.00 0.98 1.42 3.32 -1.99 -1.21 116.42 118.94 1hqz h ASP 124 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1hqz h ASP 124 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1hqz h ASP 124 CO -0.00 0.05 -0.18 0.47 -1.72 0.00 0.00 179.24 177.86 1hqz n ASP 125 N -3.21 0.36 -2.46 6.45 8.00 -0.18 -3.81 116.55 121.70 1hqz n ASP 125 Ca -0.01 0.31 -0.34 0.00 0.71 0.00 0.00 54.79 55.47 1hqz n ASP 125 Cb 0.27 -0.33 0.05 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.73 7.01 -4.61 0.64 4.77 -0.46 -4.93 117.00 117.70 1hqz n LEU 126 Ca 0.06 -4.58 -0.43 0.00 -0.03 0.00 0.00 56.01 51.03 1hqz n LEU 126 Cb 0.37 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1hqz n LEU 126 CO 0.30 1.71 1.46 -0.62 -1.33 0.00 0.00 177.39 178.91 1hqz s ASP 127 N -2.02 6.07 0.25 -1.43 2.15 -1.25 -4.88 116.67 115.55 1hqz s ASP 127 Ca 0.58 1.33 -0.09 0.00 0.43 0.00 0.00 52.55 54.80 1hqz s ASP 127 Cb 0.47 -2.53 0.39 0.00 -0.30 0.00 0.00 42.92 40.94 1hqz s ASP 127 CO -0.13 -1.56 1.61 -0.08 -0.17 0.00 0.00 175.17 174.84 1hqz h GLU 128 N 12.06 0.03 -0.25 4.34 4.81 -1.94 0.22 114.58 133.85 1hqz h GLU 128 Ca -0.33 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1hqz h GLU 128 Cb 1.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1hqz h GLU 128 CO 1.03 0.02 0.15 -0.91 -0.73 0.00 0.00 179.01 178.56 1hqz h ASN 129 N 0.03 0.30 -0.58 1.04 2.35 -1.99 0.11 115.58 116.84 1hqz h ASN 129 Ca 0.40 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 56.02 1hqz h ASN 129 Cb 0.66 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1hqz h ASN 129 CO -0.77 0.27 0.09 -0.33 -1.65 0.00 0.00 177.43 175.03 1hqz h GLU 130 N 0.31 0.96 -0.68 0.81 4.39 -1.59 -1.74 114.58 117.04 1hqz h GLU 130 Ca 0.09 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1hqz h GLU 130 Cb 0.03 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1hqz h GLU 130 CO -0.02 0.92 0.26 -0.07 -1.16 0.00 0.00 179.01 178.95 1hqz h LEU 131 N 0.86 0.94 -1.26 1.33 3.38 -0.47 -2.02 115.31 118.07 1hqz h LEU 131 Ca 0.18 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1hqz h LEU 131 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1hqz h LEU 131 CO 0.01 0.86 -0.28 -0.07 0.09 0.00 0.00 178.44 179.05 1hqz h LEU 132 N 0.96 0.13 -0.82 1.67 3.38 -0.80 -0.61 115.31 119.24 1hqz h LEU 132 Ca 0.23 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1hqz h LEU 132 Cb 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1hqz h LEU 132 CO -0.02 0.42 -0.29 -0.03 0.09 0.00 0.00 178.44 178.62 1hqz h MET 133 N 0.12 0.56 -0.50 1.13 4.05 -0.85 0.61 114.93 120.05 1hqz h MET 133 Ca 0.02 -0.23 -0.11 0.00 -0.28 0.00 0.00 59.70 59.10 1hqz h MET 133 Cb 0.57 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1hqz h MET 133 CO 0.04 0.79 -0.11 0.87 0.23 0.00 0.00 176.91 178.73 1hqz h LYS 134 N 0.48 0.96 -0.50 0.39 1.57 -0.67 -1.74 116.57 117.07 1hqz h LYS 134 Ca 0.06 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 1hqz h LYS 134 Cb 0.75 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1hqz h LYS 134 CO 0.06 1.03 -0.13 0.82 -0.57 0.00 0.00 179.45 180.66 1hqz h ILE 135 N 0.82 1.27 0.34 1.86 2.04 -0.56 -3.28 117.51 120.01 1hqz h ILE 135 Ca 0.13 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1hqz h ILE 135 Cb 0.67 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1hqz h ILE 135 CO 0.05 0.44 -0.24 0.28 0.00 0.00 0.00 178.15 178.69 1hqz h SER 136 N 0.83 -0.61 0.00 1.72 0.02 0.41 -3.46 113.55 112.46 1hqz h SER 136 Ca 0.12 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1hqz h SER 136 Cb 0.70 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1hqz h SER 136 CO 0.05 -0.35 0.00 -0.46 -1.14 0.00 0.00 176.83 174.93