#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqz h LEU 3 N 0.00 0.22 -6.55 0.00 3.38 -1.89 -3.31 115.31 107.17 1hqz h LEU 3 Ca 0.00 -0.04 -0.60 0.00 0.09 0.00 0.00 57.88 57.33 1hqz h LEU 3 Cb 0.00 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 40.29 1hqz h LEU 3 CO 0.00 0.34 -0.82 -0.62 0.09 0.00 0.00 178.44 177.44 1hqz n GLU 4 N -4.32 1.06 -1.74 1.13 -0.58 -1.26 -5.05 120.64 109.89 1hqz n GLU 4 Ca -0.01 -3.79 -0.42 0.00 -0.42 0.00 0.00 57.16 52.52 1hqz n GLU 4 Cb 0.23 -1.89 -0.01 0.00 -0.57 0.00 0.00 31.44 29.21 1hqz n GLU 4 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1hqz n PRO 5 N 2.15 2.48 -2.35 3.49 -0.04 -1.25 -4.91 135.00 134.57 1hqz n PRO 5 Ca 0.25 0.87 -0.38 0.00 -0.04 0.00 0.00 63.50 64.21 1hqz n PRO 5 Cb 0.43 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 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 -0.68 3.26 -0.35 0.52 2.07 -1.26 -5.02 121.20 119.74 1hqz s ILE 6 Ca 0.58 1.07 0.02 0.00 -1.41 0.00 0.00 60.65 60.91 1hqz s ILE 6 Cb -0.52 -3.60 0.10 0.00 0.13 0.00 0.00 42.46 38.56 1hqz s ILE 6 CO 0.58 0.10 0.07 -0.62 -1.91 0.00 0.00 174.94 173.16 1hqz s ASP 7 N -1.16 4.87 -0.11 4.50 2.15 -1.26 -4.90 116.67 120.75 1hqz s ASP 7 Ca 0.56 -2.02 0.14 0.00 0.43 0.00 0.00 52.55 51.66 1hqz s ASP 7 Cb -0.30 -1.68 0.33 0.00 -0.30 0.00 0.00 42.92 40.97 1hqz s ASP 7 CO 0.37 -0.40 1.23 0.00 -0.17 0.00 0.00 175.17 176.21 1hqz n TYR 8 N 4.37 0.38 -0.11 -5.34 0.18 -1.26 -1.17 117.16 114.20 1hqz n TYR 8 Ca 0.00 -0.81 -0.15 0.00 1.88 0.00 0.00 57.90 58.82 1hqz n TYR 8 Cb 0.42 -0.17 -0.11 0.00 -0.38 0.00 0.00 39.34 39.09 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 -0.72 1.33 -0.29 -3.48 -2.24 -1.26 -3.65 114.28 103.98 1hqz n THR 9 Ca 0.15 -0.56 0.16 0.00 -2.27 0.00 0.00 64.05 61.53 1hqz n THR 9 Cb 0.63 -1.20 0.42 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.72 -0.67 4.28 2.02 -1.90 -0.88 112.91 116.48 1hqz h THR 10 Ca -0.52 -0.20 -0.49 0.00 0.77 0.00 0.00 66.41 65.97 1hqz h THR 10 Cb 1.86 0.08 -0.37 0.00 -1.74 0.00 0.00 68.15 67.98 1hqz h THR 10 CO -0.06 0.11 -0.70 1.41 0.37 0.00 0.00 175.52 176.64 1hqz n HIS 11 N -4.60 2.44 0.09 3.16 8.25 -1.26 -4.80 115.22 118.50 1hqz n HIS 11 Ca 0.20 -2.17 0.03 0.00 -0.26 0.00 0.00 57.72 55.52 1hqz n HIS 11 Cb 0.61 -0.38 0.40 0.00 1.12 0.00 0.00 29.99 31.74 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 2.02 0.30 -0.30 0.41 4.64 -1.22 -1.88 113.55 117.52 1hqz h SER 12 Ca 0.34 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.46 1hqz h SER 12 Cb 1.45 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1hqz h SER 12 CO 0.71 0.37 -0.42 0.08 -0.87 0.00 0.00 176.83 176.70 1hqz h ARG 13 N 0.32 0.81 -0.46 4.77 0.11 -1.87 0.90 114.38 118.97 1hqz h ARG 13 Ca 0.07 -0.47 -0.09 0.00 0.10 0.00 0.00 59.98 59.59 1hqz h ARG 13 Cb 0.24 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 1hqz h ARG 13 CO 0.01 1.11 -0.05 0.93 0.10 0.00 0.00 179.97 182.06 1hqz h GLU 14 N 0.58 0.84 -0.35 0.08 3.07 -1.92 -1.53 114.58 115.34 1hqz h GLU 14 Ca 0.03 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 58.55 1hqz h GLU 14 Cb 1.02 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1hqz h GLU 14 CO 0.10 0.92 0.03 0.82 -1.40 0.00 0.00 179.01 179.48 1hqz h ILE 15 N 0.68 1.25 -0.61 3.13 2.04 -1.31 -3.00 117.51 119.69 1hqz h ILE 15 Ca 0.12 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1hqz h ILE 15 Cb 0.57 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1hqz h ILE 15 CO 0.03 0.30 0.12 0.44 0.00 0.00 0.00 178.15 179.05 1hqz h ASP 16 N 0.43 0.91 -0.16 1.72 3.32 -0.73 0.10 116.42 122.00 1hqz h ASP 16 Ca 0.10 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1hqz h ASP 16 Cb 0.40 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1hqz h ASP 16 CO 0.01 0.90 0.05 0.00 -1.72 0.00 0.00 179.24 178.48 1hqz h ALA 17 N 1.21 0.18 -0.37 3.45 0.00 -1.20 0.21 119.26 122.74 1hqz h ALA 17 Ca 0.19 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1hqz h ALA 17 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hqz h ALA 17 CO 0.00 -0.38 -0.29 0.93 0.00 0.00 0.00 179.25 179.51 1hqz h GLU 18 N 0.13 0.79 -0.41 0.00 4.39 -1.38 -2.53 114.58 115.57 1hqz h GLU 18 Ca 0.07 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1hqz h GLU 18 Cb 0.04 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1hqz h GLU 18 CO -0.07 0.98 0.27 -0.92 -1.16 0.00 0.00 179.01 178.11 1hqz h TYR 19 N 0.67 0.53 -0.65 4.33 3.20 -0.48 -2.61 116.97 121.96 1hqz h TYR 19 Ca 0.08 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1hqz h TYR 19 Cb 0.83 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1hqz h TYR 19 CO 0.04 0.34 0.15 -0.07 -1.64 0.00 0.00 178.16 176.99 1hqz h LEU 20 N 0.56 1.00 -1.12 2.82 3.38 -0.51 -1.80 115.31 119.63 1hqz h LEU 20 Ca 0.15 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1hqz h LEU 20 Cb -0.05 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 1hqz h LEU 20 CO -0.03 0.97 0.60 0.11 0.09 0.00 0.00 178.44 180.18 1hqz h LYS 21 N 0.97 1.04 0.40 1.13 1.57 -1.26 0.26 116.57 120.68 1hqz h LYS 21 Ca 0.20 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1hqz h LYS 21 Cb 0.37 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1hqz h LYS 21 CO 0.00 0.69 -0.19 0.82 -0.57 0.00 0.00 179.45 180.20 1hqz h ILE 22 N 1.07 0.25 0.00 1.86 2.04 -1.12 0.08 117.51 121.69 1hqz h ILE 22 Ca 0.39 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1hqz h ILE 22 Cb 0.15 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1hqz h ILE 22 CO -0.14 0.06 -0.24 -0.37 0.00 0.00 0.00 178.15 177.46 1hqz h VAL 23 N -1.06 0.70 -0.00 1.67 -1.51 -1.28 -2.10 116.25 112.66 1hqz h VAL 23 Ca -0.05 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 1hqz h VAL 23 Cb 0.50 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1hqz h VAL 23 CO 0.09 0.23 -0.37 0.54 -1.23 0.00 0.00 177.57 176.83 1hqz n ARG 24 N -3.58 0.28 -3.79 5.19 3.00 0.90 -4.95 116.66 113.72 1hqz n ARG 24 Ca -0.01 -0.15 -0.29 0.00 -0.01 0.00 0.00 57.85 57.38 1hqz n ARG 24 Cb 0.38 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.35 1hqz n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1hqz n GLY 25 N 1.44 -0.49 1.04 -0.13 0.00 -0.06 -4.86 105.19 102.13 1hqz n GLY 25 Ca 0.08 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.65 3.02 -3.24 1.61 3.41 -0.71 -4.74 113.62 110.33 1hqz n SER 26 Ca 0.03 -2.12 -0.03 0.00 -0.26 0.00 0.00 58.87 56.50 1hqz n SER 26 Cb 0.53 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.92 -0.55 0.34 4.04 2.15 -1.26 -5.03 116.67 115.45 1hqz s ASP 27 Ca 0.35 0.15 0.12 0.00 0.43 0.00 0.00 52.55 53.60 1hqz s ASP 27 Cb 0.20 1.58 0.93 0.00 -0.30 0.00 0.00 42.92 45.32 1hqz s ASP 27 CO 0.21 -0.31 1.76 -0.65 -0.17 0.00 0.00 175.17 176.01 1hqz h PRO 28 N 8.09 0.55 0.00 4.34 0.11 -1.95 0.12 132.00 143.26 1hqz h PRO 28 Ca -0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1hqz h PRO 28 Cb 1.15 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1hqz h PRO 28 CO 0.23 0.36 0.00 -0.44 -0.21 0.00 0.00 178.00 177.95 1hqz h ASP 29 N 0.56 0.00 -3.94 -2.05 3.32 -1.95 -3.40 116.42 108.96 1hqz h ASP 29 Ca 0.61 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 57.01 1hqz h ASP 29 Cb 1.23 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.37 1hqz h ASP 29 CO -0.38 0.00 -0.68 -0.89 -1.72 0.00 0.00 179.24 175.56 1hqz s THR 30 N -3.27 2.26 -0.10 0.35 2.01 0.42 -2.36 115.64 114.95 1hqz s THR 30 Ca 0.06 -2.73 0.01 0.00 0.31 0.00 0.00 61.69 59.34 1hqz s THR 30 Cb 0.10 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 70.00 1hqz s THR 30 CO 0.47 -0.72 0.57 0.35 -0.69 0.00 0.00 174.62 174.60 1hqz n THR 31 N 3.73 0.09 -3.78 -0.82 -2.24 0.70 -4.27 114.28 107.68 1hqz n THR 31 Ca 0.04 -0.54 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1hqz n THR 31 Cb 0.37 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.15 -0.04 -0.00 4.78 1.48 -0.87 -0.46 118.94 123.67 1hqz s TRP 32 Ca 0.01 -0.15 -0.07 0.00 -1.06 0.00 0.00 56.10 54.83 1hqz s TRP 32 Cb 0.01 0.06 0.00 0.00 -1.16 0.00 0.00 33.47 32.37 1hqz s TRP 32 CO 0.01 -0.50 0.13 -1.17 -4.06 0.00 0.00 176.95 171.36 1hqz s LEU 33 N -2.18 1.58 -0.07 -4.66 2.96 0.12 -2.84 118.68 113.59 1hqz s LEU 33 Ca -0.04 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1hqz s LEU 33 Cb -0.00 0.63 0.03 0.00 0.50 0.00 0.00 46.19 47.34 1hqz s LEU 33 CO -0.05 -0.34 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.01 1hqz s ILE 34 N -1.25 0.43 0.01 6.68 1.01 -0.78 -0.58 121.20 126.73 1hqz s ILE 34 Ca -0.13 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 1hqz s ILE 34 Cb -0.07 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1hqz s ILE 34 CO 0.01 0.26 0.16 0.27 0.00 0.00 0.00 174.94 175.64 1hqz s ILE 35 N 1.79 5.22 0.02 2.92 -4.36 0.11 -0.70 121.20 126.20 1hqz s ILE 35 Ca 0.02 -0.30 -0.09 0.00 -0.26 0.00 0.00 60.65 60.03 1hqz s ILE 35 Cb -0.13 -3.45 0.00 0.00 1.25 0.00 0.00 42.46 40.13 1hqz s ILE 35 CO -0.05 0.28 0.18 -0.55 0.24 0.00 0.00 174.94 175.04 1hqz s SER 36 N -2.03 0.02 0.15 4.36 0.15 -0.38 -2.51 113.70 113.45 1hqz s SER 36 Ca 0.28 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 1hqz s SER 36 Cb -0.13 0.25 -0.07 0.00 -1.71 0.00 0.00 66.02 64.36 1hqz s SER 36 CO 0.20 -0.47 1.17 -2.16 1.20 0.00 0.00 173.24 173.18 1hqz s PRO 37 N -1.95 4.50 0.01 5.44 0.04 -1.26 -1.61 135.00 140.16 1hqz s PRO 37 Ca -0.10 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1hqz s PRO 37 Cb -0.04 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1hqz s PRO 37 CO -0.01 -0.09 0.01 0.27 0.04 0.00 0.00 177.00 177.22 1hqz n ASN 38 N 2.86 0.00 -0.29 6.66 0.23 0.16 -4.82 115.26 120.06 1hqz n ASN 38 Ca 0.05 -1.01 0.06 0.00 -0.53 0.00 0.00 54.58 53.16 1hqz n ASN 38 Cb 0.46 -0.01 0.28 0.00 -2.08 0.00 0.00 39.78 38.43 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 -1.45 1.60 -0.28 -2.53 0.00 -1.97 -1.29 119.26 113.35 1hqz h ALA 39 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1hqz h ALA 39 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1hqz h ALA 39 CO 0.00 0.23 0.05 1.63 0.00 0.00 0.00 179.25 181.16 1hqz n LYS 40 N -4.52 2.43 -3.77 0.00 5.02 -1.26 -4.88 118.16 111.18 1hqz n LYS 40 Ca 0.15 -1.32 -0.27 0.00 -2.02 0.00 0.00 58.31 54.85 1hqz n LYS 40 Cb 0.28 -1.76 0.05 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.18 -6.48 -4.88 1.97 5.02 -0.49 -4.98 118.16 108.49 1hqz n LYS 41 Ca 0.14 0.69 -0.33 0.00 -2.02 0.00 0.00 58.31 56.80 1hqz n LYS 41 Cb 0.72 -5.64 -0.15 0.00 -0.02 0.00 0.00 35.03 29.94 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 -6.44 3.28 0.25 1.97 2.02 -1.26 -4.54 118.70 113.98 1hqz s GLU 42 Ca 0.59 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 1hqz s GLU 42 Cb -0.28 -2.55 -0.09 0.00 0.10 0.00 0.00 34.13 31.31 1hqz s GLU 42 CO 0.79 0.22 0.91 0.71 0.02 0.00 0.00 175.26 177.91 1hqz s TYR 43 N 0.31 3.91 0.19 1.61 1.51 -0.32 0.38 117.35 124.94 1hqz s TYR 43 Ca -0.12 1.84 -0.14 0.00 -1.01 0.00 0.00 57.07 57.63 1hqz s TYR 43 Cb -0.16 -2.93 0.01 0.00 -0.11 0.00 0.00 41.96 38.77 1hqz s TYR 43 CO 0.06 0.41 0.45 -1.83 -1.11 0.00 0.00 175.55 173.53 1hqz s GLU 44 N -1.39 1.33 0.20 -0.62 -1.05 -0.64 -4.33 118.70 112.21 1hqz s GLU 44 Ca 0.42 -1.00 -0.32 0.00 -0.15 0.00 0.00 54.97 53.92 1hqz s GLU 44 Cb -0.24 0.47 -0.11 0.00 -0.44 0.00 0.00 34.13 33.81 1hqz s GLU 44 CO 0.29 -0.54 1.67 -2.14 0.95 0.00 0.00 175.26 175.49 1hqz s PRO 45 N -3.92 4.15 -0.24 -4.83 0.02 -1.26 -1.25 135.00 127.68 1hqz s PRO 45 Ca 0.13 2.53 -0.05 0.00 0.02 0.00 0.00 61.00 63.63 1hqz s PRO 45 Cb 0.00 -3.10 -0.13 0.00 0.02 0.00 0.00 34.50 31.30 1hqz s PRO 45 CO -0.01 -0.70 -0.26 -1.91 -0.33 0.00 0.00 177.00 173.80 1hqz n GLU 46 N 3.90 0.55 -3.73 5.54 2.13 0.13 -4.84 120.64 124.32 1hqz n GLU 46 Ca 0.15 0.18 -0.10 0.00 0.66 0.00 0.00 57.16 58.05 1hqz n GLU 46 Cb 0.36 -1.42 -0.06 0.00 0.27 0.00 0.00 31.44 30.59 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 -6.70 -0.10 0.13 4.31 1.04 -1.15 -5.03 113.70 106.20 1hqz s SER 47 Ca -0.33 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 1hqz s SER 47 Cb 0.10 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1hqz s SER 47 CO 0.49 -0.78 0.20 0.42 0.98 0.00 0.00 173.24 174.55 1hqz s THR 48 N -3.68 0.10 -0.02 2.02 -4.23 -1.26 -1.86 115.64 106.71 1hqz s THR 48 Ca 0.03 -1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1hqz s THR 48 Cb 0.03 -1.70 0.05 0.00 1.34 0.00 0.00 72.50 72.21 1hqz s THR 48 CO -0.11 -0.47 0.64 0.61 -0.54 0.00 0.00 174.62 174.75 1hqz n GLY 49 N -0.13 0.36 0.00 3.99 0.00 -1.13 -5.01 105.19 103.27 1hqz n GLY 49 Ca -0.10 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.56 3.38 -4.60 1.61 3.41 -0.99 -0.21 113.62 115.65 1hqz n SER 50 Ca 0.03 -0.10 -0.40 0.00 -0.26 0.00 0.00 58.87 58.13 1hqz n SER 50 Cb 0.28 1.16 -0.07 0.00 -0.26 0.00 0.00 64.21 65.32 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 -2.29 6.42 0.26 4.04 0.15 -1.26 -4.73 113.70 116.28 1hqz s SER 51 Ca -0.01 0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.99 1hqz s SER 51 Cb 0.03 -2.29 0.31 0.00 -1.71 0.00 0.00 66.02 62.36 1hqz s SER 51 CO 0.17 -0.36 1.92 0.15 1.20 0.00 0.00 173.24 176.33 1hqz h PHE 52 N 8.14 1.24 -0.36 3.44 3.57 -1.95 0.18 116.94 131.19 1hqz h PHE 52 Ca -0.28 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.29 1hqz h PHE 52 Cb 1.13 -0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1hqz h PHE 52 CO 0.75 0.75 0.13 1.25 -2.23 0.00 0.00 178.31 178.96 1hqz h HIS 53 N 1.31 0.24 -0.39 0.41 2.76 -2.00 -1.69 115.15 115.78 1hqz h HIS 53 Ca 0.38 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.53 1hqz h HIS 53 Cb -0.09 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1hqz h HIS 53 CO -0.00 0.10 0.11 -0.44 -1.30 0.00 0.00 177.93 176.40 1hqz h ASP 54 N 0.29 0.58 -0.50 3.26 3.45 -1.73 -3.04 116.42 118.73 1hqz h ASP 54 Ca 0.16 -0.22 0.10 0.00 0.43 0.00 0.00 57.03 57.50 1hqz h ASP 54 Cb 0.13 -0.15 -0.10 0.00 -0.56 0.00 0.00 39.33 38.64 1hqz h ASP 54 CO -0.16 0.65 -0.28 0.15 -1.57 0.00 0.00 179.24 178.03 1hqz h PHE 55 N 0.49 -0.73 0.00 4.55 3.57 -0.49 0.25 116.94 124.57 1hqz h PHE 55 Ca 0.13 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1hqz h PHE 55 Cb 0.28 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1hqz h PHE 55 CO 0.01 -0.35 0.00 -0.07 -2.23 0.00 0.00 178.31 175.68 1hqz h LEU 56 N -0.16 0.00 -2.17 0.59 3.38 -1.21 -1.47 115.31 114.27 1hqz h LEU 56 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1hqz h LEU 56 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1hqz h LEU 56 CO -0.59 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.94 1hqz n GLN 57 N -2.58 1.90 -0.50 1.13 6.02 0.81 -4.57 117.38 119.61 1hqz n GLN 57 Ca -0.02 -1.80 0.10 0.00 -0.01 0.00 0.00 57.00 55.28 1hqz n GLN 57 Cb 0.05 -1.32 0.34 0.00 1.02 0.00 0.00 30.24 30.32 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 0.86 4.37 -4.79 1.08 4.77 -0.55 -4.97 117.00 117.77 1hqz n LEU 58 Ca 0.12 -2.24 -0.38 0.00 -0.03 0.00 0.00 56.01 53.48 1hqz n LEU 58 Cb 0.43 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1hqz n LEU 58 CO 0.10 0.89 0.50 -0.36 -1.33 0.00 0.00 177.39 177.19 1hqz s PHE 59 N -1.45 3.82 -0.18 -1.77 0.40 -1.26 -5.02 117.98 112.51 1hqz s PHE 59 Ca 0.50 1.61 -0.21 0.00 -0.60 0.00 0.00 56.93 58.22 1hqz s PHE 59 Cb 0.29 -2.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 1hqz s PHE 59 CO 0.28 0.43 0.64 0.34 0.70 0.00 0.00 175.22 177.61 1hqz s ASP 60 N -1.34 6.72 0.00 1.36 -1.08 -1.26 -4.95 116.67 116.12 1hqz s ASP 60 Ca 0.40 0.88 0.22 0.00 -0.52 0.00 0.00 52.55 53.52 1hqz s ASP 60 Cb -0.21 -2.36 1.30 0.00 -1.46 0.00 0.00 42.92 40.20 1hqz s ASP 60 CO 0.25 -0.25 1.68 -1.84 0.52 0.00 0.00 175.17 175.53 1hqz n GLU 61 N 4.88 0.70 -0.10 4.34 0.28 -1.26 -2.64 120.64 126.84 1hqz n GLU 61 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.05 1hqz n GLU 61 Cb 0.50 -1.49 0.11 0.00 1.43 0.00 0.00 31.44 31.99 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 -0.99 0.51 -3.95 3.84 -2.24 -1.26 -3.65 114.28 106.55 1hqz n THR 62 Ca 0.16 -0.76 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 1hqz n THR 62 Cb 0.07 0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.00 0.20 -0.06 -0.78 1.02 -1.08 -3.98 119.74 114.05 1hqz s LYS 63 Ca 0.20 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 1hqz s LYS 63 Cb 0.12 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1hqz s LYS 63 CO 0.16 -0.02 1.03 0.08 -0.92 0.00 0.00 175.35 175.69 1hqz s VAL 64 N -0.79 4.70 0.21 3.17 1.01 -1.26 -4.46 120.40 122.98 1hqz s VAL 64 Ca -0.08 1.96 -0.00 0.00 0.00 0.00 0.00 61.98 63.86 1hqz s VAL 64 Cb -0.05 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1hqz s VAL 64 CO -0.00 0.05 0.11 -1.10 0.00 0.00 0.00 175.10 174.16 1hqz s GLN 65 N 1.73 1.25 -0.02 2.72 -0.21 0.35 -4.48 119.66 120.99 1hqz s GLN 65 Ca 0.51 -1.66 0.01 0.00 0.02 0.00 0.00 55.36 54.24 1hqz s GLN 65 Cb -0.20 0.10 0.01 0.00 1.00 0.00 0.00 33.01 33.92 1hqz s GLN 65 CO 0.22 -0.35 -0.05 0.71 -2.12 0.00 0.00 175.29 173.70 1hqz s TYR 66 N -4.03 0.59 0.16 0.91 1.51 -1.05 -0.54 117.35 114.90 1hqz s TYR 66 Ca 0.38 -0.13 0.11 0.00 -1.01 0.00 0.00 57.07 56.42 1hqz s TYR 66 Cb 0.07 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 1hqz s TYR 66 CO 0.12 -0.09 -0.24 0.20 -1.11 0.00 0.00 175.55 174.42 1hqz s GLY 67 N 0.42 1.60 -0.04 0.71 0.00 -0.45 -0.71 107.32 108.86 1hqz s GLY 67 Ca -0.05 -1.54 -0.00 0.00 0.00 0.00 0.00 44.72 43.13 1hqz s GLY 67 CO -0.00 -1.55 0.02 -2.27 0.00 0.00 0.00 173.10 169.30 1hqz s LEU 68 N -2.40 0.90 -0.01 0.66 2.96 0.26 -0.60 118.68 120.45 1hqz s LEU 68 Ca 0.17 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1hqz s LEU 68 Cb -0.09 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1hqz s LEU 68 CO 0.08 -0.14 0.03 0.00 -1.32 0.00 0.00 176.35 174.99 1hqz s ALA 69 N 1.35 -0.07 -0.25 5.97 0.00 -0.46 0.15 121.76 128.46 1hqz s ALA 69 Ca -0.05 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1hqz s ALA 69 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1hqz s ALA 69 CO -0.03 -0.02 0.14 0.50 0.00 0.00 0.00 175.76 176.36 1hqz s ARG 70 N -0.02 3.92 0.10 0.00 3.52 0.39 -1.14 118.95 125.72 1hqz s ARG 70 Ca -0.00 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 1hqz s ARG 70 Cb -0.00 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1hqz s ARG 70 CO 0.00 -0.08 -0.09 0.08 -0.81 0.00 0.00 175.30 174.40 1hqz s VAL 71 N 1.43 0.87 -0.36 7.11 1.01 -0.03 -4.87 120.40 125.56 1hqz s VAL 71 Ca 0.07 -1.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.31 1hqz s VAL 71 Cb -0.15 -1.43 0.08 0.00 0.00 0.00 0.00 36.38 34.89 1hqz s VAL 71 CO 0.07 -0.64 0.11 -0.55 0.00 0.00 0.00 175.10 174.09 1hqz s SER 72 N -2.59 5.09 0.84 3.32 0.15 -1.26 -0.34 113.70 118.91 1hqz s SER 72 Ca 0.07 -1.68 -0.16 0.00 0.70 0.00 0.00 55.95 54.87 1hqz s SER 72 Cb -0.01 -1.78 -0.10 0.00 -1.71 0.00 0.00 66.02 62.43 1hqz s SER 72 CO -0.01 -0.41 -0.20 -2.65 1.20 0.00 0.00 173.24 171.17 1hqz n PRO 73 N 4.60 0.00 -1.64 5.44 -0.02 -1.26 -4.78 135.00 137.34 1hqz n PRO 73 Ca -0.07 0.02 -0.44 0.00 -2.02 0.00 0.00 63.50 60.99 1hqz n PRO 73 Cb 0.42 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 1hqz n PRO 73 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1hqz n PRO 74 N 0.94 2.49 -2.44 0.52 -0.04 -1.26 -2.59 135.00 132.62 1hqz n PRO 74 Ca 0.04 0.87 -0.03 0.00 -0.04 0.00 0.00 63.50 64.34 1hqz n PRO 74 Cb 0.53 -2.99 0.01 0.00 -0.04 0.00 0.00 33.50 31.01 1hqz n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqz n GLY 75 N 4.87 0.54 0.82 0.55 0.00 -1.26 -5.06 105.19 105.65 1hqz n GLY 75 Ca 0.23 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1hqz n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqz n SER 76 N -0.21 -0.34 0.00 1.61 3.41 -1.07 -5.09 113.62 111.94 1hqz n SER 76 Ca -0.02 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1hqz n SER 76 Cb 0.52 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1hqz n SER 76 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1hqz n ASP 77 N -2.00 0.53 -4.56 4.04 5.75 -1.26 -4.89 116.55 114.16 1hqz n ASP 77 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1hqz n ASP 77 Cb 0.14 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1hqz n ASP 77 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1hqz n VAL 78 N -2.56 2.84 -4.95 2.12 0.31 -1.26 -4.88 118.33 109.95 1hqz n VAL 78 Ca 0.00 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.51 1hqz n VAL 78 Cb 0.26 -0.99 -0.15 0.00 -0.91 0.00 0.00 33.84 32.05 1hqz n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1hqz s GLU 79 N -2.29 2.95 0.18 5.55 2.02 -1.26 -4.25 118.70 121.60 1hqz s GLU 79 Ca 0.70 -0.75 0.10 0.00 0.02 0.00 0.00 54.97 55.03 1hqz s GLU 79 Cb -0.47 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 1hqz s GLU 79 CO 0.52 0.35 -0.14 0.15 0.02 0.00 0.00 175.26 176.16 1hqz s LYS 80 N -0.04 1.88 -0.17 1.61 -0.14 0.53 -4.91 119.74 118.50 1hqz s LYS 80 Ca -0.04 -1.35 -0.06 0.00 -1.36 0.00 0.00 55.97 53.15 1hqz s LYS 80 Cb -0.14 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 1hqz s LYS 80 CO 0.04 0.42 0.03 0.42 -0.76 0.00 0.00 175.35 175.50 1hqz s ILE 81 N -1.69 4.45 -0.05 2.17 -1.09 -1.26 -0.85 121.20 122.88 1hqz s ILE 81 Ca 0.23 -0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.56 1hqz s ILE 81 Cb -0.08 -2.99 -0.01 0.00 -1.58 0.00 0.00 42.46 37.79 1hqz s ILE 81 CO 0.13 0.47 -0.25 -0.51 -1.23 0.00 0.00 174.94 173.56 1hqz s ILE 82 N 0.39 2.10 0.04 2.92 2.07 -0.29 0.64 121.20 129.07 1hqz s ILE 82 Ca 0.00 -1.06 0.07 0.00 -1.41 0.00 0.00 60.65 58.25 1hqz s ILE 82 Cb -0.13 -1.75 -0.03 0.00 0.13 0.00 0.00 42.46 40.68 1hqz s ILE 82 CO 0.01 0.57 -0.18 0.27 -1.91 0.00 0.00 174.94 173.71 1hqz s ILE 83 N -0.30 2.81 -0.08 2.00 -4.36 -0.32 -1.35 121.20 119.59 1hqz s ILE 83 Ca 0.01 -1.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.25 1hqz s ILE 83 Cb -0.13 -2.18 0.01 0.00 1.25 0.00 0.00 42.46 41.41 1hqz s ILE 83 CO 0.02 0.34 -0.16 -0.63 0.24 0.00 0.00 174.94 174.75 1hqz s ILE 84 N -0.93 1.48 -0.45 8.37 1.01 0.23 -1.47 121.20 129.43 1hqz s ILE 84 Ca 0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1hqz s ILE 84 Cb -0.10 -1.31 0.06 0.00 0.01 0.00 0.00 42.46 41.11 1hqz s ILE 84 CO 0.05 0.43 0.37 -0.83 0.00 0.00 0.00 174.94 174.96 1hqz s GLY 85 N 0.58 2.04 -0.40 6.18 0.00 0.10 -1.33 107.32 114.49 1hqz s GLY 85 Ca -0.15 -2.00 -0.16 0.00 0.00 0.00 0.00 44.72 42.40 1hqz s GLY 85 CO 0.05 1.02 0.40 0.86 0.00 0.00 0.00 173.10 175.43 1hqz s TRP 86 N 1.65 3.19 -0.51 1.90 -0.11 0.30 -1.16 118.94 124.19 1hqz s TRP 86 Ca 0.04 -0.30 0.03 0.00 1.22 0.00 0.00 56.10 57.10 1hqz s TRP 86 Cb -0.23 -2.80 0.15 0.00 -1.50 0.00 0.00 33.47 29.09 1hqz s TRP 86 CO 0.08 -0.61 0.33 0.00 -4.62 0.00 0.00 176.95 172.12 1hqz s PRO 88 N -0.24 4.19 0.39 0.00 0.04 -1.26 -4.28 135.00 133.84 1hqz s PRO 88 Ca 0.23 1.00 0.14 0.00 0.04 0.00 0.00 61.00 62.40 1hqz s PRO 88 Cb -0.13 -2.32 0.97 0.00 0.04 0.00 0.00 34.50 33.05 1hqz s PRO 88 CO -0.09 0.06 1.85 -0.44 0.04 0.00 0.00 177.00 178.43 1hqz h ASP 89 N 2.16 0.52 0.25 6.66 5.19 -1.81 -1.20 116.42 128.18 1hqz h ASP 89 Ca -0.48 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1hqz h ASP 89 Cb 1.18 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1hqz h ASP 89 CO 0.63 0.23 0.00 -1.20 -3.12 0.00 0.00 179.24 175.77 1hqz n SER 90 N -4.55 0.00 -4.81 6.45 7.64 -1.24 -4.82 113.62 112.29 1hqz n SER 90 Ca 0.19 -0.53 -0.32 0.00 1.01 0.00 0.00 58.87 59.22 1hqz n SER 90 Cb 0.61 -0.14 0.04 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.27 2.68 0.16 -0.43 0.00 -0.46 -4.74 121.76 116.70 1hqz s ALA 91 Ca 0.35 0.21 -0.34 0.00 0.00 0.00 0.00 51.96 52.18 1hqz s ALA 91 Cb 0.19 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.97 1hqz s ALA 91 CO 0.38 -1.11 1.48 -2.30 0.00 0.00 0.00 175.76 174.21 1hqz n PRO 92 N -2.76 1.89 -0.30 0.00 -0.02 -1.26 -4.81 135.00 127.74 1hqz n PRO 92 Ca 0.08 0.68 -0.01 0.00 -2.02 0.00 0.00 63.50 62.23 1hqz n PRO 92 Cb 0.53 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 5.23 -1.15 -1.19 2.45 5.85 -1.91 -0.89 115.31 123.69 1hqz h LEU 93 Ca -0.45 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1hqz h LEU 93 Cb 1.28 0.63 -0.02 0.00 0.37 0.00 0.00 40.66 42.92 1hqz h LEU 93 CO 0.83 -0.29 0.19 0.11 -0.34 0.00 0.00 178.44 178.94 1hqz h LYS 94 N -0.05 0.75 -0.26 1.25 1.57 -1.98 -0.95 116.57 116.90 1hqz h LYS 94 Ca 0.33 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1hqz h LYS 94 Cb 0.59 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1hqz h LYS 94 CO -0.86 0.63 -0.36 1.79 -0.57 0.00 0.00 179.45 180.08 1hqz h THR 95 N 0.74 1.29 0.00 -0.16 1.35 -1.57 -2.34 112.91 112.22 1hqz h THR 95 Ca 0.18 -1.50 -0.09 0.00 -0.55 0.00 0.00 66.41 64.44 1hqz h THR 95 Cb 0.18 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1hqz h THR 95 CO -0.01 0.48 -0.44 0.03 -0.25 0.00 0.00 175.52 175.32 1hqz h ARG 96 N 0.48 0.00 0.00 4.72 3.08 -0.64 -1.96 114.38 120.06 1hqz h ARG 96 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1hqz h ARG 96 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1hqz h ARG 96 CO 0.07 0.44 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 1hqz n ALA 97 N -2.45 2.06 0.71 0.04 0.00 -0.42 -2.61 120.51 117.84 1hqz n ALA 97 Ca -0.02 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1hqz n ALA 97 Cb 0.47 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.54 1hqz n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hqz n SER 98 N -2.21 2.33 0.04 0.00 7.64 -0.81 -4.74 113.62 115.88 1hqz n SER 98 Ca 0.04 -1.67 -0.15 0.00 1.01 0.00 0.00 58.87 58.11 1hqz n SER 98 Cb 0.35 0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.52 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 3.17 -1.43 -0.73 1.43 3.57 -1.12 -0.21 116.94 121.62 1hqz h PHE 99 Ca 0.00 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.68 1hqz h PHE 99 Cb 0.69 0.63 -0.09 0.00 2.79 0.00 0.00 35.95 39.97 1hqz h PHE 99 CO 0.00 -0.54 0.29 0.00 -2.23 0.00 0.00 178.31 175.83 1hqz h ALA 100 N -0.21 1.00 -0.06 2.41 0.00 -1.85 0.52 119.26 121.08 1hqz h ALA 100 Ca 0.04 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hqz h ALA 100 Cb 0.69 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1hqz h ALA 100 CO -0.37 -0.20 0.02 0.00 0.00 0.00 0.00 179.25 178.70 1hqz h ALA 101 N 1.52 0.07 -0.07 0.00 0.00 -1.78 -1.05 119.26 117.95 1hqz h ALA 101 Ca 0.39 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1hqz h ALA 101 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1hqz h ALA 101 CO -0.38 -0.34 -0.49 -0.91 0.00 0.00 0.00 179.25 177.13 1hqz h ASN 102 N -0.07 0.19 -0.29 0.00 2.35 -0.14 -1.47 115.58 116.16 1hqz h ASN 102 Ca 0.02 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1hqz h ASN 102 Cb 0.16 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1hqz h ASN 102 CO -0.00 0.65 -0.34 0.15 -1.65 0.00 0.00 177.43 176.24 1hqz h PHE 103 N 0.14 0.90 -0.81 1.19 3.57 0.07 0.43 116.94 122.44 1hqz h PHE 103 Ca 0.01 -0.28 0.03 0.00 3.53 0.00 0.00 57.97 61.26 1hqz h PHE 103 Cb 0.91 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 1hqz h PHE 103 CO 0.01 1.05 0.52 0.00 -2.23 0.00 0.00 178.31 177.66 1hqz h ALA 104 N 0.70 1.07 -0.13 2.41 0.00 -1.00 -0.63 119.26 121.68 1hqz h ALA 104 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1hqz h ALA 104 Cb 0.92 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1hqz h ALA 104 CO 0.08 0.34 0.01 0.00 0.00 0.00 0.00 179.25 179.68 1hqz h ALA 105 N 1.34 0.17 -0.52 0.00 0.00 -0.98 -1.76 119.26 117.51 1hqz h ALA 105 Ca 0.32 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1hqz h ALA 105 Cb 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1hqz h ALA 105 CO -0.11 -0.15 0.25 0.28 0.00 0.00 0.00 179.25 179.52 1hqz h VAL 106 N -0.03 0.93 -0.36 0.00 2.07 -0.60 0.21 116.25 118.47 1hqz h VAL 106 Ca 0.04 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1hqz h VAL 106 Cb 0.34 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1hqz h VAL 106 CO 0.00 0.09 -0.09 0.00 0.02 0.00 0.00 177.57 177.60 1hqz h ALA 107 N 1.29 1.17 0.04 1.67 0.00 -1.05 0.25 119.26 122.63 1hqz h ALA 107 Ca 0.23 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1hqz h ALA 107 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1hqz h ALA 107 CO -0.18 0.53 -1.73 -0.91 0.00 0.00 0.00 179.25 176.96 1hqz h ASN 108 N 0.57 0.14 0.00 0.00 2.35 -1.00 -3.37 115.58 114.27 1hqz h ASN 108 Ca 0.11 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1hqz h ASN 108 Cb 0.49 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1hqz h ASN 108 CO 0.03 1.26 -0.99 0.59 -1.65 0.00 0.00 177.43 176.67 1hqz n ASN 109 N -3.21 2.06 0.00 5.81 3.02 0.72 -4.80 115.26 118.87 1hqz n ASN 109 Ca -0.20 -0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.08 1hqz n ASN 109 Cb 1.05 1.23 -0.00 0.00 -0.61 0.00 0.00 39.78 41.44 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 -1.55 0.38 -3.27 3.41 7.94 0.15 -4.81 117.00 119.25 1hqz n LEU 110 Ca -0.00 0.06 -0.37 0.00 -1.11 0.00 0.00 56.01 54.58 1hqz n LEU 110 Cb 0.18 -0.24 -0.02 0.00 0.53 0.00 0.00 43.42 43.88 1hqz n LEU 110 CO 0.17 -0.53 2.27 0.49 -1.11 0.00 0.00 177.39 178.67 1hqz n PHE 111 N -2.86 2.38 -1.88 1.96 0.99 0.63 -4.98 117.46 113.69 1hqz n PHE 111 Ca -0.01 -2.65 -0.35 0.00 -0.00 0.00 0.00 57.45 54.44 1hqz n PHE 111 Cb 0.04 -1.76 0.04 0.00 -1.00 0.00 0.00 39.48 36.81 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 -1.17 2.82 0.00 -1.08 1.02 -1.26 -3.86 119.74 116.22 1hqz s LYS 112 Ca 0.56 1.71 0.00 0.00 0.02 0.00 0.00 55.97 58.26 1hqz s LYS 112 Cb 0.22 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1hqz s LYS 112 CO -0.12 -1.30 0.00 0.41 -0.92 0.00 0.00 175.35 173.42 1hqz n GLY 113 N 0.27 0.65 3.77 -3.33 0.00 -1.26 -5.07 105.19 100.22 1hqz n GLY 113 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.34 2.61 -0.08 1.61 -0.85 -1.25 -4.70 117.35 112.35 1hqz s TYR 114 Ca 0.00 1.55 0.13 0.00 -0.52 0.00 0.00 57.07 58.23 1hqz s TYR 114 Cb 0.00 -3.23 -0.19 0.00 0.38 0.00 0.00 41.96 38.92 1hqz s TYR 114 CO 0.00 -1.70 0.16 0.72 -1.52 0.00 0.00 175.55 173.21 1hqz n HIS 115 N -2.01 0.00 -4.37 -3.49 8.25 0.21 -4.93 115.22 108.88 1hqz n HIS 115 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.37 1hqz n HIS 115 Cb 0.51 -0.50 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.61 0.77 -0.07 1.59 1.01 -0.71 -4.96 120.40 115.42 1hqz s VAL 116 Ca -0.06 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1hqz s VAL 116 Cb 0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1hqz s VAL 116 CO 0.55 0.25 -0.23 -1.58 0.00 0.00 0.00 175.10 174.09 1hqz s GLN 117 N 0.31 2.73 0.00 2.72 0.74 -1.26 -1.18 119.66 123.72 1hqz s GLN 117 Ca -0.05 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 54.52 1hqz s GLN 117 Cb -0.10 -2.25 -0.01 0.00 1.10 0.00 0.00 33.01 31.75 1hqz s GLN 117 CO 0.01 0.34 -0.07 0.08 -0.55 0.00 0.00 175.29 175.10 1hqz s VAL 118 N -0.05 0.53 -0.10 1.34 1.01 -0.54 -4.98 120.40 117.61 1hqz s VAL 118 Ca -0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1hqz s VAL 118 Cb -0.15 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1hqz s VAL 118 CO 0.05 0.07 -0.08 -0.89 0.00 0.00 0.00 175.10 174.25 1hqz s THR 119 N -0.34 3.61 -0.02 3.92 2.01 -1.26 0.03 115.64 123.59 1hqz s THR 119 Ca 0.01 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 1hqz s THR 119 Cb -0.04 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.98 1hqz s THR 119 CO -0.00 0.56 0.21 0.00 -0.69 0.00 0.00 174.62 174.70 1hqz s ALA 120 N -0.38 -0.51 -0.01 7.40 0.00 -0.31 -4.93 121.76 123.02 1hqz s ALA 120 Ca 0.05 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1hqz s ALA 120 Cb -0.12 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1hqz s ALA 120 CO 0.02 -0.21 0.05 2.89 0.00 0.00 0.00 175.76 178.52 1hqz n ARG 121 N 1.66 1.36 -3.95 0.00 1.85 -1.26 -0.81 116.66 115.51 1hqz n ARG 121 Ca -0.21 -0.02 -0.11 0.00 -1.00 0.00 0.00 57.85 56.52 1hqz n ARG 121 Cb 0.56 -1.08 -0.02 0.00 -1.05 0.00 0.00 32.46 30.87 1hqz n ARG 121 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1hqz s ASP 122 N -2.76 0.23 0.33 2.89 1.47 -1.26 -3.98 116.67 113.59 1hqz s ASP 122 Ca -0.01 -1.13 0.11 0.00 1.18 0.00 0.00 52.55 52.70 1hqz s ASP 122 Cb 0.02 0.71 0.96 0.00 -0.34 0.00 0.00 42.92 44.27 1hqz s ASP 122 CO 0.14 -1.38 1.70 -0.33 0.68 0.00 0.00 175.17 175.98 1hqz h GLU 123 N 2.10 0.44 0.00 2.11 4.39 -1.95 0.87 114.58 122.55 1hqz h GLU 123 Ca -0.28 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1hqz h GLU 123 Cb 1.25 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1hqz h GLU 123 CO 0.37 0.29 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.03 1hqz h ASP 124 N 0.46 0.00 0.46 1.42 3.32 -2.00 0.17 116.42 120.25 1hqz h ASP 124 Ca 0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.73 1hqz h ASP 124 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1hqz h ASP 124 CO -0.54 0.04 -0.11 0.47 -1.72 0.00 0.00 179.24 177.38 1hqz n ASP 125 N -3.84 0.35 -2.37 6.45 8.00 0.30 -3.95 116.55 121.49 1hqz n ASP 125 Ca -0.03 -0.38 -0.27 0.00 0.71 0.00 0.00 54.79 54.82 1hqz n ASP 125 Cb 0.12 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.10 5.05 -4.67 0.64 4.77 0.59 -4.87 117.00 117.41 1hqz n LEU 126 Ca 0.13 -5.03 -0.42 0.00 -0.03 0.00 0.00 56.01 50.66 1hqz n LEU 126 Cb 0.28 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1hqz n LEU 126 CO 0.25 2.15 1.31 -0.62 -1.33 0.00 0.00 177.39 179.15 1hqz s ASP 127 N -3.35 6.70 0.19 -1.43 2.15 -1.24 -4.91 116.67 114.79 1hqz s ASP 127 Ca 0.50 2.23 -0.15 0.00 0.43 0.00 0.00 52.55 55.55 1hqz s ASP 127 Cb 0.41 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.67 1hqz s ASP 127 CO -0.13 -0.88 1.63 -0.08 -0.17 0.00 0.00 175.17 175.54 1hqz h GLU 128 N 9.04 -0.03 -0.56 4.34 4.81 -1.96 -1.44 114.58 128.78 1hqz h GLU 128 Ca -0.39 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1hqz h GLU 128 Cb 1.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1hqz h GLU 128 CO 0.94 -0.02 0.25 -0.91 -0.73 0.00 0.00 179.01 178.54 1hqz h ASN 129 N -0.03 0.75 0.29 1.04 2.35 -1.99 -1.57 115.58 116.42 1hqz h ASN 129 Ca 0.26 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1hqz h ASN 129 Cb 0.43 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1hqz h ASN 129 CO -0.58 0.69 -0.37 -0.33 -1.65 0.00 0.00 177.43 175.19 1hqz h GLU 130 N 0.76 -0.69 -0.63 0.81 4.39 -1.77 -1.56 114.58 115.89 1hqz h GLU 130 Ca 0.19 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.02 1hqz h GLU 130 Cb 0.16 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 1hqz h GLU 130 CO -0.02 -0.46 0.28 -0.07 -1.16 0.00 0.00 179.01 177.58 1hqz h LEU 131 N -0.71 0.33 -1.79 1.33 3.38 -1.18 0.17 115.31 116.84 1hqz h LEU 131 Ca -0.01 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1hqz h LEU 131 Cb 0.67 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1hqz h LEU 131 CO -0.11 0.20 0.33 -0.07 0.09 0.00 0.00 178.44 178.87 1hqz h LEU 132 N 0.49 0.22 -0.12 1.67 3.38 -0.87 0.29 115.31 120.37 1hqz h LEU 132 Ca 0.31 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 1hqz h LEU 132 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1hqz h LEU 132 CO -0.27 0.13 -1.00 0.24 0.09 0.00 0.00 178.44 177.63 1hqz h MET 133 N 0.25 0.22 -0.61 1.13 2.86 -0.03 -2.33 114.93 116.41 1hqz h MET 133 Ca 0.22 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1hqz h MET 133 Cb 0.55 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1hqz h MET 133 CO -0.04 1.05 -0.00 0.87 1.06 0.00 0.00 176.91 179.85 1hqz h LYS 134 N 0.10 1.09 -0.22 1.72 1.57 0.75 -1.97 116.57 119.60 1hqz h LYS 134 Ca -0.07 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1hqz h LYS 134 Cb 1.68 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 1hqz h LYS 134 CO 0.16 1.06 -0.08 0.82 -0.57 0.00 0.00 179.45 180.83 1hqz h ILE 135 N 0.99 1.18 0.00 1.86 2.04 -0.51 -0.30 117.51 122.77 1hqz h ILE 135 Ca 0.17 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1hqz h ILE 135 Cb 0.57 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1hqz h ILE 135 CO 0.03 0.25 -0.12 0.28 0.00 0.00 0.00 178.15 178.59 1hqz h SER 136 N 0.33 0.00 -0.63 1.72 0.02 -0.79 -2.56 113.55 111.64 1hqz h SER 136 Ca 0.07 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.44 1hqz h SER 136 Cb 0.35 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.81 1hqz h SER 136 CO 0.02 0.12 1.96 0.59 -1.14 0.00 0.00 176.83 178.38 1hqz n ASN 137 N -3.91 7.49 0.00 3.07 3.02 -0.12 -5.10 115.26 119.70 1hqz n ASN 137 Ca -0.02 -2.89 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 1hqz n ASN 137 Cb 0.21 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 1hqz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64