#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqz s GLU 4 N 0.00 4.21 0.32 1.96 2.12 -1.26 -5.02 118.70 121.03 1hqz s GLU 4 Ca 0.00 1.88 -0.27 0.00 0.36 0.00 0.00 54.97 56.94 1hqz s GLU 4 Cb 0.00 -3.85 -0.09 0.00 0.26 0.00 0.00 34.13 30.45 1hqz s GLU 4 CO 0.00 -0.76 0.99 -2.14 -0.54 0.00 0.00 175.26 172.81 1hqz s PRO 5 N 3.67 4.56 0.19 4.30 0.02 -1.26 -4.84 135.00 141.64 1hqz s PRO 5 Ca 0.62 1.46 -0.21 0.00 0.02 0.00 0.00 61.00 62.90 1hqz s PRO 5 Cb -0.27 -2.89 -0.08 0.00 0.02 0.00 0.00 34.50 31.28 1hqz s PRO 5 CO 0.21 0.23 0.72 -1.50 -0.33 0.00 0.00 177.00 176.33 1hqz s ILE 6 N -1.48 4.53 -0.47 2.83 2.07 -1.26 -5.04 121.20 122.38 1hqz s ILE 6 Ca 0.49 1.39 -0.08 0.00 -1.41 0.00 0.00 60.65 61.05 1hqz s ILE 6 Cb -0.23 -3.94 0.12 0.00 0.13 0.00 0.00 42.46 38.55 1hqz s ILE 6 CO 0.29 0.33 0.33 -0.62 -1.91 0.00 0.00 174.94 173.35 1hqz s ASP 7 N -1.46 5.63 -0.11 4.50 2.15 -1.26 -4.83 116.67 121.28 1hqz s ASP 7 Ca 0.40 -1.98 0.17 0.00 0.43 0.00 0.00 52.55 51.57 1hqz s ASP 7 Cb -0.19 -1.98 0.25 0.00 -0.30 0.00 0.00 42.92 40.71 1hqz s ASP 7 CO 0.22 -0.66 1.13 0.00 -0.17 0.00 0.00 175.17 175.70 1hqz n TYR 8 N 4.79 0.00 -0.10 -5.34 0.18 -1.26 -0.23 117.16 115.21 1hqz n TYR 8 Ca -0.06 -0.89 -0.11 0.00 1.88 0.00 0.00 57.90 58.71 1hqz n TYR 8 Cb 0.41 -0.14 -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 -1.28 1.22 0.21 -3.48 -2.24 -1.26 -3.56 114.28 103.89 1hqz n THR 9 Ca 0.14 -0.64 0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1hqz n THR 9 Cb 0.63 -0.84 0.71 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 0.00 4.28 2.02 -1.88 -2.24 112.91 115.08 1hqz h THR 10 Ca -0.48 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1hqz h THR 10 Cb 1.95 0.62 -0.28 0.00 -1.74 0.00 0.00 68.15 68.70 1hqz h THR 10 CO -0.02 0.00 -0.89 1.41 0.37 0.00 0.00 175.52 176.40 1hqz n HIS 11 N -2.43 0.00 -0.19 3.16 8.25 -1.26 -4.89 115.22 117.86 1hqz n HIS 11 Ca -0.02 -0.43 0.24 0.00 -0.26 0.00 0.00 57.72 57.26 1hqz n HIS 11 Cb 0.05 -0.13 0.63 0.00 1.12 0.00 0.00 29.99 31.67 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 0.76 0.17 0.06 0.41 4.64 -1.45 -1.48 113.55 116.66 1hqz h SER 12 Ca -0.17 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1hqz h SER 12 Cb 1.74 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1hqz h SER 12 CO 0.07 0.06 -0.03 -0.09 -0.87 0.00 0.00 176.83 175.98 1hqz h ARG 13 N 0.17 -0.08 -0.22 4.77 2.43 -1.90 0.87 114.38 120.42 1hqz h ARG 13 Ca 0.43 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.49 1hqz h ARG 13 Cb 1.43 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1hqz h ARG 13 CO -0.08 -0.03 -0.31 0.93 -1.51 0.00 0.00 179.97 178.97 1hqz h GLU 14 N -0.10 0.60 0.12 0.20 3.07 -1.72 -2.99 114.58 113.76 1hqz h GLU 14 Ca -0.01 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.50 1hqz h GLU 14 Cb 0.08 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1hqz h GLU 14 CO 0.01 0.96 -0.06 0.82 -1.40 0.00 0.00 179.01 179.34 1hqz h ILE 15 N 0.29 0.95 -0.57 3.13 2.04 -1.28 -2.94 117.51 119.13 1hqz h ILE 15 Ca 0.02 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1hqz h ILE 15 Cb 0.89 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1hqz h ILE 15 CO 0.07 0.07 0.37 0.44 0.00 0.00 0.00 178.15 179.10 1hqz h ASP 16 N -0.30 0.67 -0.34 1.72 3.32 -0.91 -0.70 116.42 119.87 1hqz h ASP 16 Ca -0.02 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1hqz h ASP 16 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1hqz h ASP 16 CO 0.03 0.49 0.08 0.00 -1.72 0.00 0.00 179.24 178.12 1hqz h ALA 17 N 1.63 0.44 -0.45 3.45 0.00 -1.47 -1.01 119.26 121.85 1hqz h ALA 17 Ca 0.21 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1hqz h ALA 17 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1hqz h ALA 17 CO -0.04 0.11 -0.27 0.93 0.00 0.00 0.00 179.25 179.97 1hqz h GLU 18 N 0.39 0.97 0.39 0.00 4.39 -1.32 -2.68 114.58 116.72 1hqz h GLU 18 Ca 0.11 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1hqz h GLU 18 Cb 0.29 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1hqz h GLU 18 CO 0.00 1.11 -0.34 -0.92 -1.16 0.00 0.00 179.01 177.70 1hqz h TYR 19 N 0.82 -0.92 -0.67 4.33 3.20 -0.97 -2.07 116.97 120.69 1hqz h TYR 19 Ca 0.09 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.04 1hqz h TYR 19 Cb 0.85 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 1hqz h TYR 19 CO 0.06 -0.49 0.35 -0.07 -1.64 0.00 0.00 178.16 176.36 1hqz h LEU 20 N -0.74 0.48 -0.78 2.82 3.38 -1.21 -0.84 115.31 118.41 1hqz h LEU 20 Ca -0.03 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1hqz h LEU 20 Cb 0.65 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 1hqz h LEU 20 CO -0.03 0.29 0.42 0.11 0.09 0.00 0.00 178.44 179.32 1hqz h LYS 21 N 0.62 0.69 0.36 1.13 1.57 -1.22 -1.14 116.57 118.57 1hqz h LYS 21 Ca 0.32 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1hqz h LYS 21 Cb 0.28 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1hqz h LYS 21 CO -0.23 0.46 -0.17 0.82 -0.57 0.00 0.00 179.45 179.75 1hqz h ILE 22 N 0.71 0.45 0.00 1.86 2.04 -0.62 -0.95 117.51 121.00 1hqz h ILE 22 Ca 0.38 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1hqz h ILE 22 Cb 0.37 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1hqz h ILE 22 CO -0.26 0.09 -0.06 -0.37 0.00 0.00 0.00 178.15 177.55 1hqz h VAL 23 N -0.96 0.25 0.00 1.67 -1.51 -1.13 -2.34 116.25 112.24 1hqz h VAL 23 Ca -0.05 -0.47 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1hqz h VAL 23 Cb 0.53 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1hqz h VAL 23 CO 0.08 0.06 -1.30 0.54 -1.23 0.00 0.00 177.57 175.72 1hqz n ARG 24 N -3.31 0.62 -2.57 5.19 1.74 -0.44 -4.96 116.66 112.92 1hqz n ARG 24 Ca -0.01 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 1hqz n ARG 24 Cb 0.24 -1.75 0.01 0.00 -1.02 0.00 0.00 32.46 29.95 1hqz n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hqz n GLY 25 N 1.23 -0.10 0.05 -0.13 0.00 -0.40 -4.92 105.19 100.92 1hqz n GLY 25 Ca -0.03 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.77 0.29 -3.44 1.61 3.41 -0.93 -4.69 113.62 109.09 1hqz n SER 26 Ca -0.10 -0.17 -0.18 0.00 -0.26 0.00 0.00 58.87 58.16 1hqz n SER 26 Cb 0.59 -0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.72 1.52 0.57 4.04 -1.08 -1.26 -5.01 116.67 112.73 1hqz s ASP 27 Ca 0.22 -0.46 0.38 0.00 -0.52 0.00 0.00 52.55 52.16 1hqz s ASP 27 Cb 0.19 0.46 2.04 0.00 -1.46 0.00 0.00 42.92 44.15 1hqz s ASP 27 CO 0.53 -0.36 2.15 1.55 0.52 0.00 0.00 175.17 179.56 1hqz h PRO 28 N 8.29 0.00 0.00 4.34 0.13 -1.94 -0.61 132.00 142.20 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 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1hqz h PRO 28 CO 0.31 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.64 1hqz h ASP 29 N 0.00 0.00 -3.26 1.44 3.45 -1.95 -3.41 116.42 112.70 1hqz h ASP 29 Ca 0.00 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.87 1hqz h ASP 29 Cb 0.04 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.41 1hqz h ASP 29 CO 0.00 0.00 -0.75 -0.89 -1.57 0.00 0.00 179.24 176.03 1hqz s THR 30 N -3.28 1.07 -0.62 0.35 2.01 -0.24 -3.27 115.64 111.67 1hqz s THR 30 Ca 0.07 -1.77 0.06 0.00 0.31 0.00 0.00 61.69 60.36 1hqz s THR 30 Cb 0.08 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.82 1hqz s THR 30 CO 0.60 -0.74 0.57 0.35 -0.69 0.00 0.00 174.62 174.71 1hqz n THR 31 N 4.45 0.00 -3.81 -0.82 -2.24 0.24 -4.22 114.28 107.87 1hqz n THR 31 Ca 0.02 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 1hqz n THR 31 Cb 0.40 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.64 1hqz n THR 31 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1hqz s TRP 32 N -0.76 0.02 -0.04 4.78 1.48 -0.95 -0.43 118.94 123.04 1hqz s TRP 32 Ca 0.06 -0.26 -0.08 0.00 -1.06 0.00 0.00 56.10 54.76 1hqz s TRP 32 Cb 0.05 0.01 0.01 0.00 -1.16 0.00 0.00 33.47 32.38 1hqz s TRP 32 CO 0.11 -0.49 0.18 -1.17 -4.06 0.00 0.00 176.95 171.53 1hqz s LEU 33 N -2.27 1.33 -0.07 -4.66 2.96 0.88 -2.80 118.68 114.06 1hqz s LEU 33 Ca -0.03 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1hqz s LEU 33 Cb 0.00 0.73 0.02 0.00 0.50 0.00 0.00 46.19 47.44 1hqz s LEU 33 CO -0.06 -0.22 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.03 1hqz s ILE 34 N -0.62 0.97 -0.11 6.68 1.01 -0.32 -0.29 121.20 128.52 1hqz s ILE 34 Ca -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1hqz s ILE 34 Cb -0.04 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1hqz s ILE 34 CO 0.01 0.32 -0.05 0.27 0.00 0.00 0.00 174.94 175.49 1hqz s ILE 35 N 0.87 3.82 0.09 2.92 -4.36 -0.22 -1.33 121.20 122.99 1hqz s ILE 35 Ca -0.11 -0.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.91 1hqz s ILE 35 Cb -0.15 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 1hqz s ILE 35 CO 0.01 0.55 -0.10 -0.55 0.24 0.00 0.00 174.94 175.09 1hqz s SER 36 N -0.24 1.40 0.02 4.36 0.15 -0.87 -2.28 113.70 116.23 1hqz s SER 36 Ca 0.04 -0.81 -0.29 0.00 0.70 0.00 0.00 55.95 55.59 1hqz s SER 36 Cb -0.13 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1hqz s SER 36 CO 0.02 -0.27 0.94 -2.16 1.20 0.00 0.00 173.24 172.98 1hqz s PRO 37 N -2.77 4.58 0.26 5.44 0.04 -1.26 -1.77 135.00 139.51 1hqz s PRO 37 Ca 0.05 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 1hqz s PRO 37 Cb -0.03 -3.44 0.06 0.00 0.04 0.00 0.00 34.50 31.13 1hqz s PRO 37 CO -0.00 0.03 0.35 0.27 0.04 0.00 0.00 177.00 177.68 1hqz n ASN 38 N 3.62 0.07 -0.31 6.66 0.23 0.76 -4.82 115.26 121.46 1hqz n ASN 38 Ca 0.04 -1.15 0.09 0.00 -0.53 0.00 0.00 54.58 53.03 1hqz n ASN 38 Cb 0.51 -0.26 0.31 0.00 -2.08 0.00 0.00 39.78 38.25 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 -1.74 1.67 -0.24 -2.53 0.00 -1.97 0.21 119.26 114.66 1hqz h ALA 39 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hqz h ALA 39 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1hqz h ALA 39 CO 0.08 0.09 0.00 1.63 0.00 0.00 0.00 179.25 181.05 1hqz n LYS 40 N -4.58 2.28 -2.04 0.00 5.02 -1.26 -4.86 118.16 112.71 1hqz n LYS 40 Ca 0.18 -1.16 -0.17 0.00 -2.02 0.00 0.00 58.31 55.14 1hqz n LYS 40 Cb 0.40 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 0.26 -1.29 -3.70 1.97 5.02 0.06 -4.99 118.16 115.50 1hqz n LYS 41 Ca 0.10 0.91 -0.35 0.00 -2.02 0.00 0.00 58.31 56.95 1hqz n LYS 41 Cb 0.52 -5.28 -0.08 0.00 -0.02 0.00 0.00 35.03 30.17 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 -4.36 4.18 0.06 1.97 2.02 -1.26 -4.47 118.70 116.85 1hqz s GLU 42 Ca 0.00 -0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.51 1hqz s GLU 42 Cb 0.00 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 1hqz s GLU 42 CO 0.00 0.26 0.92 0.71 0.02 0.00 0.00 175.26 177.18 1hqz s TYR 43 N 0.46 3.74 0.08 1.61 1.51 0.68 -0.17 117.35 125.26 1hqz s TYR 43 Ca 0.09 1.69 -0.12 0.00 -1.01 0.00 0.00 57.07 57.72 1hqz s TYR 43 Cb -0.11 -3.02 0.01 0.00 -0.11 0.00 0.00 41.96 38.73 1hqz s TYR 43 CO -0.01 0.15 0.28 -1.83 -1.11 0.00 0.00 175.55 173.03 1hqz s GLU 44 N 0.33 0.87 -0.04 -0.62 -1.05 -0.73 -4.46 118.70 113.00 1hqz s GLU 44 Ca 0.47 -0.73 -0.29 0.00 -0.15 0.00 0.00 54.97 54.26 1hqz s GLU 44 Cb -0.22 0.37 -0.08 0.00 -0.44 0.00 0.00 34.13 33.76 1hqz s GLU 44 CO 0.28 -0.29 2.05 -1.25 0.95 0.00 0.00 175.26 176.99 1hqz s PRO 45 N -3.33 3.83 -0.19 -4.83 0.04 -1.26 -2.06 135.00 127.21 1hqz s PRO 45 Ca 0.01 2.44 0.07 0.00 0.04 0.00 0.00 61.00 63.55 1hqz s PRO 45 Cb 0.02 -4.23 -0.22 0.00 0.04 0.00 0.00 34.50 30.11 1hqz s PRO 45 CO -0.08 -1.31 0.10 -1.91 0.04 0.00 0.00 177.00 173.84 1hqz n GLU 46 N 7.92 0.68 -3.82 4.56 2.13 -0.44 -4.93 120.64 126.73 1hqz n GLU 46 Ca 0.23 0.14 -0.11 0.00 0.66 0.00 0.00 57.16 58.08 1hqz n GLU 46 Cb 0.42 -1.59 -0.09 0.00 0.27 0.00 0.00 31.44 30.45 1hqz n GLU 46 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1hqz s SER 47 N -6.23 -0.04 0.09 4.31 0.01 -1.13 -5.02 113.70 105.68 1hqz s SER 47 Ca -0.21 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 56.73 1hqz s SER 47 Cb 0.08 0.28 0.02 0.00 0.21 0.00 0.00 66.02 66.60 1hqz s SER 47 CO 0.73 -0.48 0.30 0.42 0.41 0.00 0.00 173.24 174.62 1hqz s THR 48 N -1.93 0.10 -0.01 1.44 -4.23 -1.26 -1.18 115.64 108.57 1hqz s THR 48 Ca -0.10 -0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 1hqz s THR 48 Cb -0.04 -1.15 0.05 0.00 1.34 0.00 0.00 72.50 72.70 1hqz s THR 48 CO -0.00 -0.44 0.68 0.61 -0.54 0.00 0.00 174.62 174.93 1hqz n GLY 49 N 0.10 0.44 0.00 3.99 0.00 -1.12 -5.01 105.19 103.59 1hqz n GLY 49 Ca -0.17 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.67 2.69 -4.64 1.61 3.41 -1.20 -0.59 113.62 114.24 1hqz n SER 50 Ca 0.02 -0.09 -0.39 0.00 -0.26 0.00 0.00 58.87 58.15 1hqz n SER 50 Cb 0.31 1.34 -0.08 0.00 -0.26 0.00 0.00 64.21 65.52 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 -2.83 6.43 0.40 4.04 0.15 -1.26 -4.70 113.70 115.92 1hqz s SER 51 Ca -0.02 0.51 0.07 0.00 0.70 0.00 0.00 55.95 57.21 1hqz s SER 51 Cb 0.06 -2.26 0.81 0.00 -1.71 0.00 0.00 66.02 62.92 1hqz s SER 51 CO 0.35 -0.20 2.00 0.15 1.20 0.00 0.00 173.24 176.74 1hqz h PHE 52 N 7.79 0.46 -0.51 3.44 3.57 -1.95 -1.05 116.94 128.69 1hqz h PHE 52 Ca -0.32 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.10 1hqz h PHE 52 Cb 1.15 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1hqz h PHE 52 CO 0.73 0.36 0.03 1.25 -2.23 0.00 0.00 178.31 178.45 1hqz h HIS 53 N 0.47 0.87 -0.25 0.41 2.76 -2.00 -2.31 115.15 115.09 1hqz h HIS 53 Ca 0.12 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1hqz h HIS 53 Cb 0.09 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 1hqz h HIS 53 CO 0.00 0.79 -0.11 -0.44 -1.30 0.00 0.00 177.93 176.87 1hqz h ASP 54 N 0.78 0.53 -0.56 3.26 5.19 -1.65 -3.22 116.42 120.74 1hqz h ASP 54 Ca 0.16 -0.40 0.11 0.00 -0.62 0.00 0.00 57.03 56.28 1hqz h ASP 54 Cb 0.42 -0.15 -0.11 0.00 0.18 0.00 0.00 39.33 39.67 1hqz h ASP 54 CO 0.01 0.81 -0.18 0.15 -3.12 0.00 0.00 179.24 176.91 1hqz h PHE 55 N 0.24 -0.43 0.00 4.55 3.57 -0.86 -1.34 116.94 122.68 1hqz h PHE 55 Ca 0.06 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1hqz h PHE 55 Cb 0.61 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1hqz h PHE 55 CO 0.06 -0.28 0.00 1.28 -2.23 0.00 0.00 178.31 177.14 1hqz n LEU 56 N -5.41 0.09 -0.58 0.59 4.77 -0.91 -2.00 117.00 113.55 1hqz n LEU 56 Ca 0.06 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.62 1hqz n LEU 56 Cb 0.32 -0.52 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1hqz n LEU 56 CO 0.06 -0.38 0.58 0.00 -1.33 0.00 0.00 177.39 176.32 1hqz n GLN 57 N -1.60 2.28 -0.50 3.23 6.02 -0.52 -4.61 117.38 121.68 1hqz n GLN 57 Ca 0.02 -1.81 0.10 0.00 -0.01 0.00 0.00 57.00 55.30 1hqz n GLN 57 Cb 0.12 -1.25 0.33 0.00 1.02 0.00 0.00 30.24 30.47 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 0.52 4.35 -4.84 1.08 4.77 -0.85 -4.97 117.00 117.07 1hqz n LEU 58 Ca 0.10 -2.27 -0.36 0.00 -0.03 0.00 0.00 56.01 53.46 1hqz n LEU 58 Cb 0.38 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1hqz n LEU 58 CO 0.07 0.87 0.22 -0.36 -1.33 0.00 0.00 177.39 176.87 1hqz s PHE 59 N -1.50 3.64 -0.31 -1.77 0.40 -1.26 -5.03 117.98 112.15 1hqz s PHE 59 Ca 0.49 1.06 -0.15 0.00 -0.60 0.00 0.00 56.93 57.73 1hqz s PHE 59 Cb 0.29 -2.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1hqz s PHE 59 CO 0.27 0.47 0.37 0.34 0.70 0.00 0.00 175.22 177.38 1hqz s ASP 60 N -1.60 6.22 0.00 1.36 -1.08 -1.26 -4.97 116.67 115.34 1hqz s ASP 60 Ca 0.35 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.44 1hqz s ASP 60 Cb -0.16 -2.21 0.21 0.00 -1.46 0.00 0.00 42.92 39.31 1hqz s ASP 60 CO 0.19 -0.28 0.86 -1.84 0.52 0.00 0.00 175.17 174.62 1hqz n GLU 61 N 5.39 0.08 -0.05 4.34 0.28 -1.26 -1.71 120.64 127.72 1hqz n GLU 61 Ca -0.09 0.15 0.02 0.00 -0.16 0.00 0.00 57.16 57.08 1hqz n GLU 61 Cb 0.50 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.91 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 -1.17 0.91 -4.13 3.84 -2.24 -1.26 -3.88 114.28 106.35 1hqz n THR 62 Ca 0.02 -0.95 -0.15 0.00 -2.27 0.00 0.00 64.05 60.70 1hqz n THR 62 Cb 0.02 0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.93 0.53 -0.21 -0.78 1.02 -0.69 -4.05 119.74 114.63 1hqz s LYS 63 Ca 0.07 -0.55 -0.26 0.00 0.02 0.00 0.00 55.97 55.25 1hqz s LYS 63 Cb 0.03 -0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 36.94 1hqz s LYS 63 CO 0.05 0.09 0.87 0.08 -0.92 0.00 0.00 175.35 175.52 1hqz s VAL 64 N -0.87 4.82 0.26 3.17 1.01 -1.26 -4.43 120.40 123.10 1hqz s VAL 64 Ca -0.04 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.66 1hqz s VAL 64 Cb -0.07 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1hqz s VAL 64 CO 0.00 -0.05 0.04 -1.10 0.00 0.00 0.00 175.10 173.98 1hqz s GLN 65 N 2.63 1.42 -0.04 2.72 -0.21 -0.21 -4.49 119.66 121.48 1hqz s GLN 65 Ca 0.38 -1.75 0.01 0.00 0.02 0.00 0.00 55.36 54.02 1hqz s GLN 65 Cb -0.16 -0.58 0.02 0.00 1.00 0.00 0.00 33.01 33.30 1hqz s GLN 65 CO 0.09 -0.17 -0.05 0.71 -2.12 0.00 0.00 175.29 173.75 1hqz s TYR 66 N -3.48 0.79 0.13 0.91 1.51 -0.97 -0.91 117.35 115.33 1hqz s TYR 66 Ca 0.33 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.24 1hqz s TYR 66 Cb 0.07 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1hqz s TYR 66 CO 0.11 -0.19 -0.12 0.20 -1.11 0.00 0.00 175.55 174.45 1hqz s GLY 67 N 0.88 1.76 -0.06 0.71 0.00 -0.11 -1.05 107.32 109.44 1hqz s GLY 67 Ca -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1hqz s GLY 67 CO 0.01 -1.31 -0.04 -2.27 0.00 0.00 0.00 173.10 169.49 1hqz s LEU 68 N -2.35 1.12 -0.01 0.66 2.96 0.60 -0.65 118.68 121.02 1hqz s LEU 68 Ca 0.21 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1hqz s LEU 68 Cb -0.10 -0.48 -0.00 0.00 0.50 0.00 0.00 46.19 46.11 1hqz s LEU 68 CO 0.13 -0.10 0.03 0.00 -1.32 0.00 0.00 176.35 175.10 1hqz s ALA 69 N 1.26 -0.06 -0.29 5.97 0.00 -0.29 -0.08 121.76 128.26 1hqz s ALA 69 Ca -0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 1hqz s ALA 69 Cb -0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1hqz s ALA 69 CO -0.02 -0.05 0.09 0.50 0.00 0.00 0.00 175.76 176.28 1hqz s ARG 70 N -0.28 3.24 0.01 0.00 3.52 0.43 -0.67 118.95 125.20 1hqz s ARG 70 Ca -0.03 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1hqz s ARG 70 Cb -0.02 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 1hqz s ARG 70 CO -0.00 -0.39 -0.00 0.08 -0.81 0.00 0.00 175.30 174.18 1hqz s VAL 71 N 1.54 0.06 -0.36 7.11 1.01 0.53 -4.84 120.40 125.45 1hqz s VAL 71 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1hqz s VAL 71 Cb -0.17 -0.16 0.08 0.00 0.00 0.00 0.00 36.38 36.14 1hqz s VAL 71 CO 0.03 -0.26 0.13 -0.55 0.00 0.00 0.00 175.10 174.45 1hqz s SER 72 N -0.76 5.15 0.91 3.32 0.15 -1.26 -1.07 113.70 120.14 1hqz s SER 72 Ca -0.08 -1.67 -0.11 0.00 0.70 0.00 0.00 55.95 54.79 1hqz s SER 72 Cb -0.05 -1.80 0.13 0.00 -1.71 0.00 0.00 66.02 62.59 1hqz s SER 72 CO -0.00 -0.42 1.06 -2.65 1.20 0.00 0.00 173.24 172.42 1hqz n PRO 73 N 4.63 -0.37 -0.34 5.44 -0.02 -1.26 -4.88 135.00 138.20 1hqz n PRO 73 Ca -0.07 -0.04 0.23 0.00 -2.02 0.00 0.00 63.50 61.60 1hqz n PRO 73 Cb 0.42 -2.32 0.47 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.75 0.36 0.00 0.52 0.11 -1.98 -3.23 132.00 126.03 1hqz h PRO 74 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1hqz h PRO 74 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hqz h PRO 74 CO 0.41 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 1hqz n GLY 75 N -1.31 -2.02 0.00 -0.55 0.00 -1.26 -4.84 105.19 95.20 1hqz n GLY 75 Ca 0.31 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.62 1.50 -0.88 1.61 3.41 -1.22 -5.05 113.62 112.37 1hqz n SER 76 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1hqz n SER 76 Cb 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.17 1hqz n SER 76 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1hqz n ASP 77 N 0.00 3.45 -4.75 4.04 10.43 -1.26 -4.58 116.55 123.88 1hqz n ASP 77 Ca 0.00 -2.26 -0.41 0.00 2.57 0.00 0.00 54.79 54.69 1hqz n ASP 77 Cb 0.00 -0.36 -0.04 0.00 1.84 0.00 0.00 41.12 42.56 1hqz n ASP 77 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1hqz s VAL 78 N -1.48 3.57 -0.21 2.53 1.01 -1.26 -4.97 120.40 119.59 1hqz s VAL 78 Ca 0.33 1.41 -0.13 0.00 0.00 0.00 0.00 61.98 63.60 1hqz s VAL 78 Cb 0.20 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1hqz s VAL 78 CO 0.17 0.27 0.25 -1.61 0.00 0.00 0.00 175.10 174.18 1hqz s GLU 79 N -0.72 4.15 0.23 2.72 0.41 -1.26 -4.34 118.70 119.89 1hqz s GLU 79 Ca 0.49 -0.06 0.11 0.00 -0.41 0.00 0.00 54.97 55.10 1hqz s GLU 79 Cb -0.32 -3.50 -0.05 0.00 -1.78 0.00 0.00 34.13 28.48 1hqz s GLU 79 CO 0.38 0.09 -0.16 0.15 -0.49 0.00 0.00 175.26 175.24 1hqz s LYS 80 N 0.95 1.82 -0.16 1.61 3.01 -0.23 -4.92 119.74 121.81 1hqz s LYS 80 Ca 0.13 -1.53 -0.04 0.00 -1.01 0.00 0.00 55.97 53.51 1hqz s LYS 80 Cb -0.13 -1.94 -0.03 0.00 -1.01 0.00 0.00 37.83 34.72 1hqz s LYS 80 CO 0.05 0.38 -0.02 0.42 0.51 0.00 0.00 175.35 176.68 1hqz s ILE 81 N -2.07 4.02 -0.05 2.17 -1.09 -1.26 -0.35 121.20 122.57 1hqz s ILE 81 Ca 0.27 -0.31 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1hqz s ILE 81 Cb -0.07 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1hqz s ILE 81 CO 0.14 0.48 -0.21 -0.51 -1.23 0.00 0.00 174.94 173.62 1hqz s ILE 82 N 0.44 1.71 -0.09 2.92 2.07 0.16 0.28 121.20 128.68 1hqz s ILE 82 Ca -0.03 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.36 1hqz s ILE 82 Cb -0.14 -1.45 -0.02 0.00 0.13 0.00 0.00 42.46 40.98 1hqz s ILE 82 CO 0.02 0.48 -0.16 0.27 -1.91 0.00 0.00 174.94 173.65 1hqz s ILE 83 N -0.08 2.89 -0.16 2.00 -4.36 -0.33 -1.14 121.20 120.02 1hqz s ILE 83 Ca -0.03 -0.75 -0.01 0.00 -0.26 0.00 0.00 60.65 59.60 1hqz s ILE 83 Cb -0.12 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 1hqz s ILE 83 CO 0.03 0.56 -0.13 -0.63 0.24 0.00 0.00 174.94 175.01 1hqz s ILE 84 N -0.15 2.90 -0.61 8.37 1.01 0.18 -1.40 121.20 131.51 1hqz s ILE 84 Ca -0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 1hqz s ILE 84 Cb -0.14 -2.24 0.13 0.00 0.01 0.00 0.00 42.46 40.22 1hqz s ILE 84 CO 0.03 0.50 0.63 -0.83 0.00 0.00 0.00 174.94 175.28 1hqz s GLY 85 N 0.78 2.04 -0.57 6.18 0.00 0.81 -0.93 107.32 115.62 1hqz s GLY 85 Ca -0.05 -2.53 -0.22 0.00 0.00 0.00 0.00 44.72 41.92 1hqz s GLY 85 CO 0.01 1.38 0.85 0.86 0.00 0.00 0.00 173.10 176.20 1hqz s TRP 86 N 1.86 2.84 -0.67 1.90 -0.11 -0.09 -0.91 118.94 123.75 1hqz s TRP 86 Ca 0.09 -0.34 0.05 0.00 1.22 0.00 0.00 56.10 57.12 1hqz s TRP 86 Cb -0.24 -3.99 0.19 0.00 -1.50 0.00 0.00 33.47 27.92 1hqz s TRP 86 CO 0.02 -1.35 0.54 0.00 -4.62 0.00 0.00 176.95 171.55 1hqz s PRO 88 N -1.59 2.80 0.42 0.00 0.04 -1.26 -4.56 135.00 130.85 1hqz s PRO 88 Ca 0.29 1.46 0.12 0.00 0.04 0.00 0.00 61.00 62.90 1hqz s PRO 88 Cb 0.01 -1.95 0.91 0.00 0.04 0.00 0.00 34.50 33.51 1hqz s PRO 88 CO -0.14 -1.26 1.97 -0.44 0.04 0.00 0.00 177.00 177.18 1hqz h ASP 89 N 0.15 0.14 0.63 6.66 3.32 -1.82 -2.72 116.42 122.78 1hqz h ASP 89 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1hqz h ASP 89 Cb 1.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1hqz h ASP 89 CO 0.54 0.27 0.00 -1.20 -1.72 0.00 0.00 179.24 177.13 1hqz n SER 90 N -4.33 0.00 -4.77 6.45 7.64 -1.25 -4.84 113.62 112.51 1hqz n SER 90 Ca -0.01 0.08 -0.31 0.00 1.01 0.00 0.00 58.87 59.64 1hqz n SER 90 Cb 0.23 -0.35 0.09 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.70 2.29 0.31 -0.43 0.00 -1.03 -4.74 121.76 115.47 1hqz s ALA 91 Ca 0.22 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 1hqz s ALA 91 Cb 0.18 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.91 1hqz s ALA 91 CO 0.43 -1.72 1.31 -2.30 0.00 0.00 0.00 175.76 173.49 1hqz n PRO 92 N -3.49 2.09 -0.18 0.00 -0.02 -1.26 -4.81 135.00 127.33 1hqz n PRO 92 Ca 0.09 0.73 -0.04 0.00 -2.02 0.00 0.00 63.50 62.26 1hqz n PRO 92 Cb 0.53 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.98 -0.88 -1.06 2.45 5.85 -1.92 -1.24 115.31 121.49 1hqz h LEU 93 Ca -0.46 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1hqz h LEU 93 Cb 1.28 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 42.74 1hqz h LEU 93 CO 0.66 -0.27 0.58 0.11 -0.34 0.00 0.00 178.44 179.18 1hqz h LYS 94 N -0.12 1.21 -0.20 1.25 1.57 -1.98 0.13 116.57 118.43 1hqz h LYS 94 Ca 0.24 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 1hqz h LYS 94 Cb 0.51 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1hqz h LYS 94 CO -0.62 0.82 -0.44 1.79 -0.57 0.00 0.00 179.45 180.43 1hqz h THR 95 N 1.24 1.31 -0.36 -0.16 1.35 -1.72 -2.41 112.91 112.16 1hqz h THR 95 Ca 0.33 -1.63 -0.14 0.00 -0.55 0.00 0.00 66.41 64.43 1hqz h THR 95 Cb -0.11 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1hqz h THR 95 CO -0.07 0.51 -0.33 0.03 -0.25 0.00 0.00 175.52 175.41 1hqz h ARG 96 N 0.40 0.80 0.00 4.72 3.08 -0.65 -2.13 114.38 120.61 1hqz h ARG 96 Ca 0.03 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1hqz h ARG 96 Cb 0.94 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1hqz h ARG 96 CO 0.08 1.01 -0.09 0.00 -1.07 0.00 0.00 179.97 179.90 1hqz h ALA 97 N 0.95 1.14 -0.31 0.04 0.00 -0.50 -2.45 119.26 118.14 1hqz h ALA 97 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hqz h ALA 97 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hqz h ALA 97 CO 0.08 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.87 1hqz n SER 98 N -3.40 3.00 0.02 0.00 7.64 -0.93 -4.65 113.62 115.29 1hqz n SER 98 Ca -0.01 -1.88 -0.10 0.00 1.01 0.00 0.00 58.87 57.89 1hqz n SER 98 Cb 0.26 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 3.30 -0.50 -0.50 1.43 3.57 -0.88 0.71 116.94 124.08 1hqz h PHE 99 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1hqz h PHE 99 Cb 0.80 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.70 1hqz h PHE 99 CO 0.20 -0.27 0.03 0.00 -2.23 0.00 0.00 178.31 176.04 1hqz h ALA 100 N 0.72 0.50 -0.08 2.41 0.00 -1.83 0.51 119.26 121.49 1hqz h ALA 100 Ca 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1hqz h ALA 100 Cb 0.38 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1hqz h ALA 100 CO -0.24 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.64 1hqz h ALA 101 N 1.43 0.11 -0.40 0.00 0.00 -1.81 -2.12 119.26 116.47 1hqz h ALA 101 Ca 0.25 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1hqz h ALA 101 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1hqz h ALA 101 CO -0.39 -0.22 -0.18 -0.91 0.00 0.00 0.00 179.25 177.55 1hqz h ASN 102 N -0.13 0.76 -0.23 0.00 2.35 -0.33 -1.21 115.58 116.80 1hqz h ASN 102 Ca 0.02 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 1hqz h ASN 102 Cb 0.33 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1hqz h ASN 102 CO 0.00 0.94 -0.16 0.15 -1.65 0.00 0.00 177.43 176.70 1hqz h PHE 103 N 0.67 0.73 -0.69 1.19 3.57 -0.03 -0.05 116.94 122.32 1hqz h PHE 103 Ca 0.10 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1hqz h PHE 103 Cb 0.67 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1hqz h PHE 103 CO 0.03 0.78 0.22 0.00 -2.23 0.00 0.00 178.31 177.12 1hqz h ALA 104 N 1.23 0.91 -0.10 2.41 0.00 -0.94 -0.82 119.26 121.95 1hqz h ALA 104 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1hqz h ALA 104 Cb 0.62 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1hqz h ALA 104 CO 0.04 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.92 1hqz h ALA 105 N 1.10 0.13 -0.59 0.00 0.00 -0.58 -0.99 119.26 118.33 1hqz h ALA 105 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1hqz h ALA 105 Cb 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1hqz h ALA 105 CO -0.01 -0.29 0.34 0.28 0.00 0.00 0.00 179.25 179.57 1hqz h VAL 106 N 0.02 1.02 -0.46 0.00 2.07 -0.81 0.29 116.25 118.38 1hqz h VAL 106 Ca 0.03 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1hqz h VAL 106 Cb 0.15 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1hqz h VAL 106 CO -0.00 0.12 -0.05 0.00 0.02 0.00 0.00 177.57 177.65 1hqz h ALA 107 N 1.28 0.63 0.06 1.67 0.00 -0.99 0.19 119.26 122.10 1hqz h ALA 107 Ca 0.25 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1hqz h ALA 107 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1hqz h ALA 107 CO -0.13 0.47 -1.47 -0.91 0.00 0.00 0.00 179.25 177.22 1hqz h ASN 108 N 0.69 0.20 0.00 0.00 2.35 -1.00 -3.36 115.58 114.47 1hqz h ASN 108 Ca 0.12 -0.30 -0.15 0.00 -0.55 0.00 0.00 56.30 55.43 1hqz h ASN 108 Cb 0.58 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1hqz h ASN 108 CO 0.03 1.25 -1.72 0.59 -1.65 0.00 0.00 177.43 175.93 1hqz n ASN 109 N -3.33 2.19 0.00 5.81 3.02 0.10 -4.82 115.26 118.23 1hqz n ASN 109 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1hqz n ASN 109 Cb 1.02 1.00 0.00 0.00 -0.61 0.00 0.00 39.78 41.19 1hqz n ASN 109 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1hqz n LEU 110 N -2.28 0.00 -3.55 3.41 7.94 -0.71 -4.78 117.00 117.03 1hqz n LEU 110 Ca -0.14 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.36 1hqz n LEU 110 Cb 0.71 -0.37 -0.01 0.00 0.53 0.00 0.00 43.42 44.28 1hqz n LEU 110 CO 0.25 -0.48 2.61 0.49 -1.11 0.00 0.00 177.39 179.14 1hqz n PHE 111 N -2.46 2.73 -2.47 1.96 0.99 0.60 -4.98 117.46 113.84 1hqz n PHE 111 Ca 0.00 -2.91 -0.35 0.00 -0.00 0.00 0.00 57.45 54.20 1hqz n PHE 111 Cb 0.00 -2.12 -0.03 0.00 -1.00 0.00 0.00 39.48 36.33 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 0.57 3.78 0.00 -1.08 1.02 -1.26 -4.10 119.74 118.68 1hqz s LYS 112 Ca 0.54 1.46 0.00 0.00 0.02 0.00 0.00 55.97 58.00 1hqz s LYS 112 Cb 0.16 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1hqz s LYS 112 CO -0.06 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1hqz n GLY 113 N -0.02 0.78 3.81 -3.33 0.00 -1.26 -5.03 105.19 100.13 1hqz n GLY 113 Ca 0.09 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 3.10 -0.14 1.61 -0.85 -1.26 -4.75 117.35 113.06 1hqz s TYR 114 Ca 0.00 1.51 0.16 0.00 -0.52 0.00 0.00 57.07 58.22 1hqz s TYR 114 Cb 0.00 -2.96 -0.23 0.00 0.38 0.00 0.00 41.96 39.15 1hqz s TYR 114 CO 0.00 -0.90 0.13 0.72 -1.52 0.00 0.00 175.55 173.97 1hqz n HIS 115 N -1.81 0.00 -4.39 -3.49 8.25 0.14 -4.30 115.22 109.62 1hqz n HIS 115 Ca 0.08 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.35 1hqz n HIS 115 Cb 0.53 -0.77 -0.15 0.00 1.12 0.00 0.00 29.99 30.73 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 -2.59 0.75 -0.09 1.59 1.01 -0.64 -4.50 120.40 115.94 1hqz s VAL 116 Ca -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1hqz s VAL 116 Cb 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1hqz s VAL 116 CO 0.72 0.22 -0.20 -1.58 0.00 0.00 0.00 175.10 174.26 1hqz s GLN 117 N -0.14 2.54 -0.01 2.72 0.74 -1.26 -1.19 119.66 123.05 1hqz s GLN 117 Ca 0.02 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.74 1hqz s GLN 117 Cb -0.05 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 32.10 1hqz s GLN 117 CO -0.00 0.13 -0.05 0.08 -0.55 0.00 0.00 175.29 174.90 1hqz s VAL 118 N 0.43 0.46 -0.24 1.34 1.01 -0.49 -4.98 120.40 117.94 1hqz s VAL 118 Ca -0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1hqz s VAL 118 Cb -0.17 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1hqz s VAL 118 CO 0.07 0.15 0.12 -0.89 0.00 0.00 0.00 175.10 174.55 1hqz s THR 119 N 0.16 4.95 0.04 3.92 2.01 -1.26 -0.14 115.64 125.32 1hqz s THR 119 Ca -0.02 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.09 1hqz s THR 119 Cb -0.06 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 1hqz s THR 119 CO -0.00 0.35 -0.19 0.00 -0.69 0.00 0.00 174.62 174.09 1hqz s ALA 120 N 1.17 1.60 -0.01 7.40 0.00 -0.09 -4.94 121.76 126.89 1hqz s ALA 120 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1hqz s ALA 120 Cb -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1hqz s ALA 120 CO 0.05 0.35 -0.00 0.54 0.00 0.00 0.00 175.76 176.70 1hqz n ARG 121 N 1.94 2.85 -4.23 0.00 1.74 -1.26 -1.09 116.66 116.61 1hqz n ARG 121 Ca -0.17 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.73 1hqz n ARG 121 Cb 0.54 -1.03 -0.07 0.00 -1.02 0.00 0.00 32.46 30.87 1hqz n ARG 121 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1hqz s ASP 122 N -3.41 1.41 0.55 0.55 1.47 -1.26 -4.26 116.67 111.72 1hqz s ASP 122 Ca -0.01 -1.67 0.23 0.00 1.18 0.00 0.00 52.55 52.28 1hqz s ASP 122 Cb 0.00 0.58 1.47 0.00 -0.34 0.00 0.00 42.92 44.64 1hqz s ASP 122 CO 0.05 -1.12 2.12 -0.33 0.68 0.00 0.00 175.17 176.57 1hqz h GLU 123 N 2.15 0.00 -0.67 2.11 4.39 -1.96 -1.28 114.58 119.32 1hqz h GLU 123 Ca -0.26 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 1hqz h GLU 123 Cb 1.23 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1hqz h GLU 123 CO 0.38 0.00 0.22 -0.44 -1.16 0.00 0.00 179.01 178.01 1hqz h ASP 124 N 0.00 0.96 0.37 1.42 3.32 -2.01 -1.69 116.42 118.80 1hqz h ASP 124 Ca 0.08 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1hqz h ASP 124 Cb 0.34 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1hqz h ASP 124 CO -0.00 0.91 0.00 0.47 -1.72 0.00 0.00 179.24 178.90 1hqz n ASP 125 N -4.34 0.00 -1.47 6.45 8.00 -0.49 -2.78 116.55 121.91 1hqz n ASP 125 Ca 0.05 0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.68 1hqz n ASP 125 Cb 0.21 -0.37 0.17 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 -1.37 4.79 -4.65 0.64 4.77 -0.64 -4.91 117.00 115.64 1hqz n LEU 126 Ca 0.06 -3.92 -0.43 0.00 -0.03 0.00 0.00 56.01 51.69 1hqz n LEU 126 Cb 0.14 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1hqz n LEU 126 CO 0.12 1.36 1.22 -0.62 -1.33 0.00 0.00 177.39 178.14 1hqz s ASP 127 N -2.47 6.70 0.17 -1.43 2.15 -1.12 -4.91 116.67 115.77 1hqz s ASP 127 Ca 0.48 1.67 -0.20 0.00 0.43 0.00 0.00 52.55 54.94 1hqz s ASP 127 Cb 0.42 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.61 1hqz s ASP 127 CO 0.01 -0.98 1.62 -0.08 -0.17 0.00 0.00 175.17 175.57 1hqz h GLU 128 N 9.28 -0.16 -0.53 4.34 4.81 -1.93 -0.92 114.58 129.48 1hqz h GLU 128 Ca -0.30 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1hqz h GLU 128 Cb 1.13 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1hqz h GLU 128 CO 0.99 -0.11 0.26 -0.91 -0.73 0.00 0.00 179.01 178.51 1hqz h ASN 129 N -0.16 0.36 -0.29 1.04 4.21 -2.00 -1.26 115.58 117.48 1hqz h ASN 129 Ca 0.20 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.74 1hqz h ASN 129 Cb 0.48 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1hqz h ASN 129 CO -0.52 0.24 0.17 -0.08 -1.29 0.00 0.00 177.43 175.95 1hqz h GLU 130 N 0.50 0.39 -0.71 0.81 4.81 -1.77 -2.66 114.58 115.96 1hqz h GLU 130 Ca 0.24 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1hqz h GLU 130 Cb 0.17 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1hqz h GLU 130 CO -0.18 0.31 0.42 -0.07 -0.73 0.00 0.00 179.01 178.76 1hqz h LEU 131 N 0.36 0.85 -1.58 1.64 -0.00 -0.83 -2.47 115.31 113.29 1hqz h LEU 131 Ca 0.10 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1hqz h LEU 131 Cb 0.02 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 1hqz h LEU 131 CO -0.02 0.67 0.07 -0.07 -0.00 0.00 0.00 178.44 179.09 1hqz h LEU 132 N 0.96 0.31 -0.23 1.67 3.38 -1.08 0.29 115.31 120.61 1hqz h LEU 132 Ca 0.25 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 1hqz h LEU 132 Cb -0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1hqz h LEU 132 CO -0.05 0.31 -0.89 0.24 0.09 0.00 0.00 178.44 178.15 1hqz h MET 133 N 0.35 0.38 -0.19 1.13 2.86 -1.14 -0.84 114.93 117.48 1hqz h MET 133 Ca 0.09 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1hqz h MET 133 Cb 0.12 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1hqz h MET 133 CO -0.01 1.06 0.02 0.87 1.06 0.00 0.00 176.91 179.91 1hqz h LYS 134 N 0.23 0.32 -0.80 1.72 1.57 -0.95 -1.07 116.57 117.59 1hqz h LYS 134 Ca -0.06 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1hqz h LYS 134 Cb 1.51 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.73 1hqz h LYS 134 CO 0.15 0.50 0.49 0.82 -0.57 0.00 0.00 179.45 180.84 1hqz h ILE 135 N 0.10 1.05 -0.28 1.86 2.04 -0.94 -0.51 117.51 120.83 1hqz h ILE 135 Ca 0.06 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 1hqz h ILE 135 Cb 0.34 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1hqz h ILE 135 CO 0.01 0.17 -0.20 -1.28 0.00 0.00 0.00 178.15 176.85 1hqz h SER 136 N 0.92 0.51 0.01 1.72 0.87 -0.90 -3.26 113.55 113.41 1hqz h SER 136 Ca 0.34 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1hqz h SER 136 Cb 0.13 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1hqz h SER 136 CO -0.16 0.72 -0.15 0.78 -0.53 0.00 0.00 176.83 177.49 1hqz h ASN 137 N 0.46 0.11 -3.17 6.23 2.35 -0.58 -3.45 115.58 117.54 1hqz h ASN 137 Ca 0.07 -0.84 -0.54 0.00 -0.55 0.00 0.00 56.30 54.45 1hqz h ASN 137 Cb 0.60 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1hqz h ASN 137 CO 0.04 0.94 0.59 0.00 -1.65 0.00 0.00 177.43 177.35 1hqz s ALA 138 N -2.86 3.41 -0.28 -0.83 0.00 -0.26 -5.01 121.76 115.94 1hqz s ALA 138 Ca -0.17 0.83 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 1hqz s ALA 138 Cb -0.01 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.79 1hqz s ALA 138 CO 0.72 -0.49 0.34 0.00 0.00 0.00 0.00 175.76 176.32 1hqz s ALA 139 N 1.23 -0.77 0.00 0.00 0.00 -1.26 -4.82 121.76 116.14 1hqz s ALA 139 Ca 0.59 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1hqz s ALA 139 Cb -0.29 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1hqz s ALA 139 CO 0.28 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 174.82 1hqz n GLY 140 N 5.33 4.08 0.00 0.00 0.00 -1.26 -5.14 105.19 108.20 1hqz n GLY 140 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1hqz n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32