#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 0.42 -1.38 1.96 2.13 -1.26 -5.02 120.64 117.49 1hqz n GLU 4 Ca 0.00 -1.65 -0.41 0.00 0.66 0.00 0.00 57.16 55.76 1hqz n GLU 4 Cb 0.00 -1.00 0.01 0.00 0.27 0.00 0.00 31.44 30.72 1hqz n GLU 4 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1hqz n PRO 5 N 2.74 0.30 -3.60 5.31 -0.02 -1.26 -4.92 135.00 133.56 1hqz n PRO 5 Ca 0.15 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.37 1hqz n PRO 5 Cb 0.59 -1.31 -0.06 0.00 -0.02 0.00 0.00 33.50 32.70 1hqz n PRO 5 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1hqz s ILE 6 N -1.65 5.15 -0.30 4.25 2.07 -1.26 -5.08 121.20 124.38 1hqz s ILE 6 Ca 0.62 0.66 -0.05 0.00 -1.41 0.00 0.00 60.65 60.47 1hqz s ILE 6 Cb -0.57 -3.63 0.03 0.00 0.13 0.00 0.00 42.46 38.41 1hqz s ILE 6 CO 0.60 0.57 0.05 -0.62 -1.91 0.00 0.00 174.94 173.62 1hqz s ASP 7 N -1.12 4.99 -0.04 4.50 2.15 -1.26 -4.89 116.67 120.99 1hqz s ASP 7 Ca 0.22 -0.95 0.06 0.00 0.43 0.00 0.00 52.55 52.32 1hqz s ASP 7 Cb -0.15 -1.81 0.10 0.00 -0.30 0.00 0.00 42.92 40.76 1hqz s ASP 7 CO 0.12 -0.23 0.96 0.00 -0.17 0.00 0.00 175.17 175.85 1hqz n TYR 8 N 4.78 0.00 -0.03 -5.34 0.18 -1.26 -1.66 117.16 113.82 1hqz n TYR 8 Ca -0.14 -0.46 0.03 0.00 1.88 0.00 0.00 57.90 59.20 1hqz n TYR 8 Cb 0.46 -0.08 -0.12 0.00 -0.38 0.00 0.00 39.34 39.22 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 -0.61 0.36 -0.37 -3.48 -2.24 -1.26 -3.67 114.28 103.00 1hqz n THR 9 Ca 0.05 -0.46 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 1hqz n THR 9 Cb 0.54 -0.13 0.11 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.25 -0.32 4.28 2.02 -1.90 -2.48 112.91 115.75 1hqz h THR 10 Ca -0.14 -0.46 -0.16 0.00 0.77 0.00 0.00 66.41 66.42 1hqz h THR 10 Cb 1.15 -0.21 -0.10 0.00 -1.74 0.00 0.00 68.15 67.25 1hqz h THR 10 CO 0.01 0.24 -0.13 1.41 0.37 0.00 0.00 175.52 177.43 1hqz n HIS 11 N -4.40 0.98 -0.03 3.16 8.25 -1.26 -4.74 115.22 117.18 1hqz n HIS 11 Ca 0.12 -1.60 0.23 0.00 -0.26 0.00 0.00 57.72 56.21 1hqz n HIS 11 Cb 0.02 -0.47 0.72 0.00 1.12 0.00 0.00 29.99 31.38 1hqz n HIS 11 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1hqz h SER 12 N 1.01 0.00 -0.18 0.41 4.64 -1.51 -0.70 113.55 117.21 1hqz h SER 12 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1hqz h SER 12 Cb 1.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.68 1hqz h SER 12 CO 0.35 0.00 0.03 -0.09 -0.87 0.00 0.00 176.83 176.25 1hqz h ARG 13 N 0.00 0.30 -0.10 4.77 2.43 -1.85 -0.87 114.38 119.07 1hqz h ARG 13 Ca 0.29 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1hqz h ARG 13 Cb 1.27 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1hqz h ARG 13 CO -0.00 0.47 -0.16 0.93 -1.51 0.00 0.00 179.97 179.69 1hqz h GLU 14 N 0.09 0.28 -0.00 0.20 3.07 -1.56 -2.84 114.58 113.82 1hqz h GLU 14 Ca 0.06 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1hqz h GLU 14 Cb 0.31 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1hqz h GLU 14 CO 0.00 0.75 0.00 0.82 -1.40 0.00 0.00 179.01 179.18 1hqz h ILE 15 N -0.15 1.07 -0.58 3.13 2.04 -1.33 -3.04 117.51 118.65 1hqz h ILE 15 Ca 0.01 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1hqz h ILE 15 Cb 0.72 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1hqz h ILE 15 CO 0.04 0.05 0.27 0.44 0.00 0.00 0.00 178.15 178.95 1hqz h ASP 16 N -0.08 0.73 -0.38 1.72 3.32 -1.24 -0.37 116.42 120.12 1hqz h ASP 16 Ca 0.00 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1hqz h ASP 16 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1hqz h ASP 16 CO -0.00 0.62 0.23 0.00 -1.72 0.00 0.00 179.24 178.38 1hqz h ALA 17 N 1.49 0.48 -0.29 3.45 0.00 -1.45 0.02 119.26 122.97 1hqz h ALA 17 Ca 0.20 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1hqz h ALA 17 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1hqz h ALA 17 CO -0.03 -0.03 -0.50 0.93 0.00 0.00 0.00 179.25 179.63 1hqz h GLU 18 N 0.50 0.82 -0.13 0.00 4.39 -1.37 -2.77 114.58 116.02 1hqz h GLU 18 Ca 0.14 -0.49 0.03 0.00 0.34 0.00 0.00 59.36 59.38 1hqz h GLU 18 Cb -0.01 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1hqz h GLU 18 CO -0.03 1.12 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.99 1hqz h TYR 19 N 0.64 -0.07 -0.62 4.33 3.20 -0.76 -2.33 116.97 121.35 1hqz h TYR 19 Ca 0.03 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1hqz h TYR 19 Cb 1.08 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 1hqz h TYR 19 CO 0.06 -0.06 0.26 -0.07 -1.64 0.00 0.00 178.16 176.72 1hqz h LEU 20 N -0.01 0.82 -0.85 2.82 3.38 -0.99 -1.50 115.31 118.98 1hqz h LEU 20 Ca 0.06 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1hqz h LEU 20 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1hqz h LEU 20 CO -0.13 0.73 0.56 0.11 0.09 0.00 0.00 178.44 179.79 1hqz h LYS 21 N 0.89 1.10 0.16 1.13 1.57 -1.18 -1.38 116.57 118.86 1hqz h LYS 21 Ca 0.21 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1hqz h LYS 21 Cb 0.15 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1hqz h LYS 21 CO -0.02 0.73 -0.08 0.82 -0.57 0.00 0.00 179.45 180.33 1hqz h ILE 22 N 1.13 0.96 0.00 1.86 2.04 -0.86 -0.78 117.51 121.86 1hqz h ILE 22 Ca 0.32 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1hqz h ILE 22 Cb -0.10 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1hqz h ILE 22 CO -0.08 0.20 0.00 -0.37 0.00 0.00 0.00 178.15 177.90 1hqz h VAL 23 N -0.69 0.00 0.00 1.67 -1.51 -1.27 -2.56 116.25 111.90 1hqz h VAL 23 Ca -0.02 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1hqz h VAL 23 Cb 0.50 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1hqz h VAL 23 CO 0.04 0.00 -1.15 0.54 -1.23 0.00 0.00 177.57 175.77 1hqz n ARG 24 N -3.04 0.21 -3.34 5.19 1.74 -0.53 -4.97 116.66 111.92 1hqz n ARG 24 Ca -0.00 -0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 56.81 1hqz n ARG 24 Cb 0.25 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.42 -0.53 0.01 -0.13 0.00 -0.34 -4.89 105.19 100.73 1hqz n GLY 25 Ca 0.02 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.75 0.32 -3.62 1.61 3.41 -0.97 -4.74 113.62 106.89 1hqz n SER 26 Ca -0.05 0.16 -0.25 0.00 -0.26 0.00 0.00 58.87 58.46 1hqz n SER 26 Cb 0.59 -0.15 -0.17 0.00 -0.26 0.00 0.00 64.21 64.22 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 -3.19 2.21 0.13 4.04 2.15 -1.26 -5.01 116.67 115.74 1hqz s ASP 27 Ca 0.12 -0.54 0.13 0.00 0.43 0.00 0.00 52.55 52.69 1hqz s ASP 27 Cb 0.18 -0.23 0.62 0.00 -0.30 0.00 0.00 42.92 43.18 1hqz s ASP 27 CO 0.62 -0.34 1.40 -0.81 -0.17 0.00 0.00 175.17 175.87 1hqz n PRO 28 N 5.28 0.07 0.01 4.34 -0.04 -1.26 -1.46 135.00 141.94 1hqz n PRO 28 Ca -0.07 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 1hqz n PRO 28 Cb 0.49 -1.69 0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1hqz n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1hqz n ASP 29 N -1.83 0.64 -3.83 3.54 10.43 -1.26 -4.69 116.55 119.55 1hqz n ASP 29 Ca 0.01 -0.36 -0.30 0.00 2.57 0.00 0.00 54.79 56.71 1hqz n ASP 29 Cb 0.09 0.57 -0.15 0.00 1.84 0.00 0.00 41.12 43.46 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 -3.08 1.30 0.00 -3.53 2.01 -0.54 -3.59 115.64 108.21 1hqz s THR 30 Ca 0.08 -1.61 0.00 0.00 0.31 0.00 0.00 61.69 60.47 1hqz s THR 30 Cb 0.16 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.74 1hqz s THR 30 CO 0.77 -0.59 0.08 0.35 -0.69 0.00 0.00 174.62 174.53 1hqz n THR 31 N 4.68 0.00 -3.99 -0.82 -2.24 0.75 -4.44 114.28 108.22 1hqz n THR 31 Ca -0.01 -0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 1hqz n THR 31 Cb 0.42 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.63 0.40 -0.10 4.78 1.48 -1.06 0.12 118.94 123.93 1hqz s TRP 32 Ca 0.00 -0.86 -0.19 0.00 -1.06 0.00 0.00 56.10 53.98 1hqz s TRP 32 Cb 0.00 -0.24 0.04 0.00 -1.16 0.00 0.00 33.47 32.12 1hqz s TRP 32 CO 0.00 -0.50 0.47 -1.17 -4.06 0.00 0.00 176.95 171.69 1hqz s LEU 33 N -2.92 0.21 -0.07 -4.66 2.96 0.12 -2.97 118.68 111.35 1hqz s LEU 33 Ca 0.09 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1hqz s LEU 33 Cb 0.06 1.72 0.02 0.00 0.50 0.00 0.00 46.19 48.49 1hqz s LEU 33 CO -0.08 -0.36 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.86 1hqz s ILE 34 N -0.60 0.99 -0.02 6.68 1.01 -0.56 -0.21 121.20 128.50 1hqz s ILE 34 Ca -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1hqz s ILE 34 Cb -0.03 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1hqz s ILE 34 CO 0.04 0.33 0.03 0.27 0.00 0.00 0.00 174.94 175.61 1hqz s ILE 35 N 0.87 4.39 0.04 2.92 -4.36 0.32 -0.77 121.20 124.60 1hqz s ILE 35 Ca -0.11 -0.48 -0.03 0.00 -0.26 0.00 0.00 60.65 59.77 1hqz s ILE 35 Cb -0.15 -2.96 -0.02 0.00 1.25 0.00 0.00 42.46 40.58 1hqz s ILE 35 CO 0.01 0.40 0.04 -0.55 0.24 0.00 0.00 174.94 175.09 1hqz s SER 36 N -1.52 0.26 0.04 4.36 0.15 -0.32 -2.27 113.70 114.41 1hqz s SER 36 Ca 0.20 -0.63 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 1hqz s SER 36 Cb -0.12 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1hqz s SER 36 CO 0.10 -0.49 1.06 -2.16 1.20 0.00 0.00 173.24 172.95 1hqz s PRO 37 N -2.66 4.54 0.24 5.44 0.04 -1.26 -1.79 135.00 139.54 1hqz s PRO 37 Ca -0.05 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 1hqz s PRO 37 Cb -0.01 -3.40 0.05 0.00 0.04 0.00 0.00 34.50 31.18 1hqz s PRO 37 CO -0.05 -0.08 0.32 0.27 0.04 0.00 0.00 177.00 177.50 1hqz n ASN 38 N 3.67 0.06 0.03 6.66 0.23 0.45 -4.82 115.26 121.53 1hqz n ASN 38 Ca 0.06 -1.14 0.19 0.00 -0.53 0.00 0.00 54.58 53.17 1hqz n ASN 38 Cb 0.49 -0.24 0.70 0.00 -2.08 0.00 0.00 39.78 38.64 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 -1.81 2.43 -0.56 -2.53 0.00 -1.97 -0.65 119.26 114.19 1hqz h ALA 39 Ca -0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1hqz h ALA 39 Cb 0.30 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1hqz h ALA 39 CO 0.08 -0.60 0.14 1.63 0.00 0.00 0.00 179.25 180.49 1hqz n LYS 40 N -4.34 3.60 -2.05 0.00 5.02 -1.26 -4.90 118.16 114.23 1hqz n LYS 40 Ca 0.09 -2.52 -0.20 0.00 -2.02 0.00 0.00 58.31 53.66 1hqz n LYS 40 Cb 0.57 -2.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.16 -1.62 -3.96 1.97 5.02 -0.25 -4.96 118.16 114.51 1hqz n LYS 41 Ca 0.29 1.04 -0.35 0.00 -2.02 0.00 0.00 58.31 57.27 1hqz n LYS 41 Cb 1.13 -5.57 -0.10 0.00 -0.02 0.00 0.00 35.03 30.47 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 -4.46 3.92 0.32 1.97 2.02 -1.26 -4.54 118.70 116.68 1hqz s GLU 42 Ca 0.00 -0.37 -0.27 0.00 0.02 0.00 0.00 54.97 54.35 1hqz s GLU 42 Cb 0.00 -3.25 -0.09 0.00 0.10 0.00 0.00 34.13 30.89 1hqz s GLU 42 CO 0.00 0.18 1.04 0.71 0.02 0.00 0.00 175.26 177.20 1hqz s TYR 43 N 0.64 3.54 0.24 1.61 1.51 -0.67 -0.41 117.35 123.80 1hqz s TYR 43 Ca 0.03 1.72 -0.21 0.00 -1.01 0.00 0.00 57.07 57.61 1hqz s TYR 43 Cb -0.13 -3.13 0.03 0.00 -0.11 0.00 0.00 41.96 38.62 1hqz s TYR 43 CO 0.01 -0.32 0.65 -1.83 -1.11 0.00 0.00 175.55 172.95 1hqz s GLU 44 N -1.89 1.59 0.18 -0.62 -1.05 -0.74 -4.49 118.70 111.68 1hqz s GLU 44 Ca 0.50 -0.85 -0.32 0.00 -0.15 0.00 0.00 54.97 54.15 1hqz s GLU 44 Cb -0.25 0.59 -0.11 0.00 -0.44 0.00 0.00 34.13 33.91 1hqz s GLU 44 CO 0.32 -0.71 1.77 -2.14 0.95 0.00 0.00 175.26 175.45 1hqz s PRO 45 N -3.87 4.13 -0.19 -4.83 0.02 -1.26 -1.17 135.00 127.82 1hqz s PRO 45 Ca 0.09 2.62 0.06 0.00 0.02 0.00 0.00 61.00 63.78 1hqz s PRO 45 Cb -0.04 -3.27 -0.15 0.00 0.02 0.00 0.00 34.50 31.06 1hqz s PRO 45 CO 0.01 -0.79 -0.10 -1.91 -0.33 0.00 0.00 177.00 173.87 1hqz n GLU 46 N 4.65 0.80 -3.47 5.54 2.13 0.05 -4.84 120.64 125.50 1hqz n GLU 46 Ca 0.17 0.08 -0.14 0.00 0.66 0.00 0.00 57.16 57.92 1hqz n GLU 46 Cb 0.36 -1.41 -0.04 0.00 0.27 0.00 0.00 31.44 30.63 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 -5.64 -0.59 0.25 4.31 1.04 -1.20 -5.03 113.70 106.84 1hqz s SER 47 Ca -0.21 0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.47 1hqz s SER 47 Cb 0.06 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1hqz s SER 47 CO 0.53 -0.80 0.28 0.42 0.98 0.00 0.00 173.24 174.65 1hqz s THR 48 N -2.69 0.00 -0.58 2.02 -4.23 -1.26 -1.49 115.64 107.41 1hqz s THR 48 Ca -0.03 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1hqz s THR 48 Cb -0.01 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1hqz s THR 48 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1hqz n GLY 49 N -0.39 -0.92 0.00 3.99 0.00 -1.16 -4.99 105.19 101.72 1hqz n GLY 49 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.18 0.10 -4.58 1.61 3.41 -1.24 -0.18 113.62 112.92 1hqz n SER 50 Ca 0.00 -0.22 -0.39 0.00 -0.26 0.00 0.00 58.87 58.00 1hqz n SER 50 Cb 0.00 0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.48 6.13 0.21 4.04 0.15 -1.26 -4.79 113.70 117.70 1hqz s SER 51 Ca 0.00 0.03 -0.10 0.00 0.70 0.00 0.00 55.95 56.58 1hqz s SER 51 Cb 0.00 -2.16 0.18 0.00 -1.71 0.00 0.00 66.02 62.33 1hqz s SER 51 CO 0.00 -0.15 1.88 0.15 1.20 0.00 0.00 173.24 176.32 1hqz h PHE 52 N 8.33 0.97 -0.64 3.44 3.57 -1.95 -0.36 116.94 130.29 1hqz h PHE 52 Ca -0.33 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.25 1hqz h PHE 52 Cb 1.17 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1hqz h PHE 52 CO 0.74 0.60 0.36 1.25 -2.23 0.00 0.00 178.31 179.03 1hqz h HIS 53 N 1.04 0.66 -0.37 0.41 2.76 -2.00 -1.80 115.15 115.84 1hqz h HIS 53 Ca 0.29 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.43 1hqz h HIS 53 Cb -0.10 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 1hqz h HIS 53 CO -0.02 0.33 0.03 0.22 -1.30 0.00 0.00 177.93 177.19 1hqz h ASP 54 N 0.68 0.61 -0.47 3.26 3.58 -1.81 -3.17 116.42 119.10 1hqz h ASP 54 Ca 0.28 -0.28 0.07 0.00 0.42 0.00 0.00 57.03 57.52 1hqz h ASP 54 Cb 0.15 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 40.94 1hqz h ASP 54 CO -0.16 0.74 -0.47 0.15 -2.88 0.00 0.00 179.24 176.62 1hqz h PHE 55 N 0.46 -1.38 0.00 0.28 3.57 -0.30 -0.18 116.94 119.39 1hqz h PHE 55 Ca 0.11 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1hqz h PHE 55 Cb 0.41 0.67 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1hqz h PHE 55 CO 0.03 -0.45 0.08 -0.07 -2.23 0.00 0.00 178.31 175.68 1hqz h LEU 56 N -0.31 0.00 -2.29 0.59 3.38 -1.33 -1.15 115.31 114.20 1hqz h LEU 56 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1hqz h LEU 56 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1hqz h LEU 56 CO -0.62 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.91 1hqz n GLN 57 N -2.48 2.12 -0.53 1.13 6.02 -0.11 -4.51 117.38 119.03 1hqz n GLN 57 Ca -0.02 -1.94 0.10 0.00 -0.01 0.00 0.00 57.00 55.14 1hqz n GLN 57 Cb 0.13 -1.36 0.35 0.00 1.02 0.00 0.00 30.24 30.37 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 0.96 4.45 -4.82 1.08 4.77 -0.43 -4.97 117.00 118.04 1hqz n LEU 58 Ca 0.14 -2.24 -0.35 0.00 -0.03 0.00 0.00 56.01 53.53 1hqz n LEU 58 Cb 0.46 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1hqz n LEU 58 CO 0.11 0.88 0.41 -0.36 -1.33 0.00 0.00 177.39 177.10 1hqz s PHE 59 N -1.53 3.59 -0.27 -1.77 0.40 -1.26 -5.02 117.98 112.12 1hqz s PHE 59 Ca 0.51 1.35 -0.17 0.00 -0.60 0.00 0.00 56.93 58.01 1hqz s PHE 59 Cb 0.30 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 1hqz s PHE 59 CO 0.28 0.29 0.46 0.34 0.70 0.00 0.00 175.22 177.30 1hqz s ASP 60 N -1.77 6.36 0.09 1.36 -1.08 -1.26 -4.96 116.67 115.41 1hqz s ASP 60 Ca 0.45 0.40 0.10 0.00 -0.52 0.00 0.00 52.55 52.97 1hqz s ASP 60 Cb -0.15 -2.25 0.46 0.00 -1.46 0.00 0.00 42.92 39.51 1hqz s ASP 60 CO 0.20 -0.26 1.30 1.21 0.52 0.00 0.00 175.17 178.13 1hqz n GLU 61 N 5.48 0.05 -0.03 4.34 2.13 -1.26 -2.34 120.64 129.01 1hqz n GLU 61 Ca -0.06 0.48 0.06 0.00 0.66 0.00 0.00 57.16 58.30 1hqz n GLU 61 Cb 0.50 -1.63 0.07 0.00 0.27 0.00 0.00 31.44 30.64 1hqz n GLU 61 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1hqz n THR 62 N -1.73 0.17 -4.02 6.31 -2.24 -1.26 -3.78 114.28 107.73 1hqz n THR 62 Ca 0.01 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 1hqz n THR 62 Cb 0.06 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.97 0.36 -0.10 -0.78 1.02 -0.99 -4.08 119.74 114.20 1hqz s LYS 63 Ca 0.15 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1hqz s LYS 63 Cb 0.10 -0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1hqz s LYS 63 CO 0.15 0.01 1.07 0.08 -0.92 0.00 0.00 175.35 175.74 1hqz s VAL 64 N -1.07 4.61 0.23 3.17 1.01 -1.26 -4.52 120.40 122.57 1hqz s VAL 64 Ca -0.09 1.90 0.02 0.00 0.00 0.00 0.00 61.98 63.81 1hqz s VAL 64 Cb -0.08 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1hqz s VAL 64 CO -0.00 -0.02 0.04 -1.10 0.00 0.00 0.00 175.10 174.02 1hqz s GLN 65 N 2.22 1.33 -0.07 2.72 -0.21 0.30 -4.46 119.66 121.48 1hqz s GLN 65 Ca 0.50 -1.69 0.02 0.00 0.02 0.00 0.00 55.36 54.21 1hqz s GLN 65 Cb -0.20 -0.43 0.02 0.00 1.00 0.00 0.00 33.01 33.40 1hqz s GLN 65 CO 0.18 -0.18 -0.10 0.71 -2.12 0.00 0.00 175.29 173.78 1hqz s TYR 66 N -3.58 1.38 0.06 0.91 1.51 -0.96 -0.95 117.35 115.71 1hqz s TYR 66 Ca 0.31 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1hqz s TYR 66 Cb 0.07 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1hqz s TYR 66 CO 0.10 -0.32 -0.11 0.20 -1.11 0.00 0.00 175.55 174.31 1hqz s GLY 67 N 0.92 1.72 -0.03 0.71 0.00 -0.08 -0.53 107.32 110.04 1hqz s GLY 67 Ca -0.10 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.46 1hqz s GLY 67 CO 0.01 -1.08 0.01 -2.27 0.00 0.00 0.00 173.10 169.77 1hqz s LEU 68 N -1.76 0.97 -0.03 0.66 2.96 0.70 0.46 118.68 122.64 1hqz s LEU 68 Ca 0.18 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1hqz s LEU 68 Cb -0.11 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.39 1hqz s LEU 68 CO 0.09 -0.13 0.12 0.00 -1.32 0.00 0.00 176.35 175.11 1hqz s ALA 69 N 1.26 -0.29 -0.29 5.97 0.00 -0.37 0.14 121.76 128.18 1hqz s ALA 69 Ca -0.07 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 1hqz s ALA 69 Cb -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1hqz s ALA 69 CO -0.02 -0.10 0.16 0.50 0.00 0.00 0.00 175.76 176.29 1hqz s ARG 70 N -0.33 3.67 0.03 0.00 3.52 0.12 -0.92 118.95 125.04 1hqz s ARG 70 Ca -0.04 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1hqz s ARG 70 Cb -0.03 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 1hqz s ARG 70 CO 0.00 -0.27 -0.07 0.14 -0.81 0.00 0.00 175.30 174.30 1hqz s VAL 71 N 1.68 0.46 -0.39 7.11 -7.23 0.66 -4.82 120.40 117.87 1hqz s VAL 71 Ca 0.06 -0.77 -0.09 0.00 -1.81 0.00 0.00 61.98 59.37 1hqz s VAL 71 Cb -0.16 -0.49 0.05 0.00 0.56 0.00 0.00 36.38 36.34 1hqz s VAL 71 CO 0.08 -0.22 0.22 -0.55 -0.31 0.00 0.00 175.10 174.31 1hqz s SER 72 N -1.07 5.62 0.76 4.85 0.15 -1.26 0.02 113.70 122.78 1hqz s SER 72 Ca -0.06 -1.27 -0.17 0.00 0.70 0.00 0.00 55.95 55.15 1hqz s SER 72 Cb -0.07 -1.98 -0.15 0.00 -1.71 0.00 0.00 66.02 62.11 1hqz s SER 72 CO 0.00 -0.45 -0.48 -2.65 1.20 0.00 0.00 173.24 170.86 1hqz n PRO 73 N 4.93 0.00 -0.26 5.44 -0.02 -1.25 -4.82 135.00 139.01 1hqz n PRO 73 Ca -0.11 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 1hqz n PRO 73 Cb 0.44 -1.00 -0.07 0.00 -0.02 0.00 0.00 33.50 32.85 1hqz n PRO 73 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1hqz h PRO 74 N -0.53 -0.03 -2.09 0.52 0.13 -1.97 -2.60 132.00 125.43 1hqz h PRO 74 Ca -0.43 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.96 1hqz h PRO 74 Cb 1.37 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.21 1hqz h PRO 74 CO 0.32 -0.02 0.70 0.41 -0.23 0.00 0.00 178.00 179.18 1hqz n GLY 75 N -1.18 5.85 3.32 1.56 0.00 -1.26 -4.96 105.19 108.52 1hqz n GLY 75 Ca 0.01 -2.58 -0.10 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.69 -0.24 0.00 1.61 0.15 -0.98 -5.03 113.70 107.52 1hqz s SER 76 Ca 0.46 -0.31 0.07 0.00 0.70 0.00 0.00 55.95 56.86 1hqz s SER 76 Cb 0.31 0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 65.04 1hqz s SER 76 CO -0.24 -0.86 0.32 -0.90 1.20 0.00 0.00 173.24 172.75 1hqz n ASP 77 N -0.23 0.42 -4.74 5.45 5.75 -1.26 -4.56 116.55 117.38 1hqz n ASP 77 Ca -0.16 -0.71 -0.41 0.00 -0.01 0.00 0.00 54.79 53.50 1hqz n ASP 77 Cb 0.64 0.91 -0.04 0.00 -1.03 0.00 0.00 41.12 41.60 1hqz n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1hqz s VAL 78 N -1.53 4.08 -0.17 2.12 1.01 -1.26 -4.98 120.40 119.67 1hqz s VAL 78 Ca 0.03 1.80 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 1hqz s VAL 78 Cb 0.05 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1hqz s VAL 78 CO 0.25 0.31 0.06 -1.61 0.00 0.00 0.00 175.10 174.11 1hqz s GLU 79 N -0.35 3.91 0.30 2.72 2.02 -1.26 -3.87 118.70 122.16 1hqz s GLU 79 Ca 0.48 -0.34 0.09 0.00 0.02 0.00 0.00 54.97 55.21 1hqz s GLU 79 Cb -0.27 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 1hqz s GLU 79 CO 0.33 0.31 0.08 0.15 0.02 0.00 0.00 175.26 176.16 1hqz s LYS 80 N 0.25 2.39 -0.13 1.61 3.01 0.10 -4.88 119.74 122.09 1hqz s LYS 80 Ca 0.04 -1.45 0.02 0.00 -1.01 0.00 0.00 55.97 53.56 1hqz s LYS 80 Cb -0.12 -2.20 -0.00 0.00 -1.01 0.00 0.00 37.83 34.50 1hqz s LYS 80 CO 0.00 0.24 -0.19 0.42 0.51 0.00 0.00 175.35 176.34 1hqz s ILE 81 N -2.36 2.44 -0.00 2.17 1.01 -1.26 -0.25 121.20 122.96 1hqz s ILE 81 Ca 0.35 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1hqz s ILE 81 Cb -0.05 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1hqz s ILE 81 CO 0.22 0.53 -0.16 -0.51 0.00 0.00 0.00 174.94 175.02 1hqz s ILE 82 N 0.63 2.91 -0.03 2.92 2.07 -0.09 0.40 121.20 130.01 1hqz s ILE 82 Ca -0.10 -0.97 0.08 0.00 -1.41 0.00 0.00 60.65 58.25 1hqz s ILE 82 Cb -0.16 -2.18 -0.02 0.00 0.13 0.00 0.00 42.46 40.23 1hqz s ILE 82 CO 0.03 0.46 -0.26 0.27 -1.91 0.00 0.00 174.94 173.53 1hqz s ILE 83 N -0.83 2.06 -0.09 2.00 -4.36 -0.01 -1.23 121.20 118.73 1hqz s ILE 83 Ca 0.13 -1.10 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 1hqz s ILE 83 Cb -0.11 -1.71 -0.00 0.00 1.25 0.00 0.00 42.46 41.89 1hqz s ILE 83 CO 0.03 0.58 -0.24 -0.63 0.24 0.00 0.00 174.94 174.92 1hqz s ILE 84 N -0.50 2.05 -0.46 8.37 1.01 0.17 -1.19 121.20 130.65 1hqz s ILE 84 Ca 0.07 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 1hqz s ILE 84 Cb -0.11 -1.77 0.08 0.00 0.01 0.00 0.00 42.46 40.67 1hqz s ILE 84 CO 0.00 0.56 0.37 -0.83 0.00 0.00 0.00 174.94 175.04 1hqz s GLY 85 N 0.26 2.03 -0.41 6.18 0.00 0.20 -0.90 107.32 114.67 1hqz s GLY 85 Ca -0.16 -2.17 -0.15 0.00 0.00 0.00 0.00 44.72 42.24 1hqz s GLY 85 CO 0.08 1.05 0.31 0.86 0.00 0.00 0.00 173.10 175.40 1hqz s TRP 86 N 1.58 3.24 -0.50 1.90 -0.11 -0.12 -0.09 118.94 124.83 1hqz s TRP 86 Ca 0.04 -0.60 0.03 0.00 1.22 0.00 0.00 56.10 56.79 1hqz s TRP 86 Cb -0.24 -2.65 0.15 0.00 -1.50 0.00 0.00 33.47 29.22 1hqz s TRP 86 CO 0.05 -0.61 0.31 0.00 -4.62 0.00 0.00 176.95 172.08 1hqz s PRO 88 N -0.14 3.98 0.41 0.00 0.04 -1.25 -4.40 135.00 133.65 1hqz s PRO 88 Ca 0.21 1.22 0.12 0.00 0.04 0.00 0.00 61.00 62.59 1hqz s PRO 88 Cb -0.17 -2.13 0.96 0.00 0.04 0.00 0.00 34.50 33.20 1hqz s PRO 88 CO -0.06 -0.26 1.96 -0.44 0.04 0.00 0.00 177.00 178.25 1hqz h ASP 89 N 1.63 0.45 -0.02 6.66 5.19 -1.82 -1.71 116.42 126.79 1hqz h ASP 89 Ca -0.49 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1hqz h ASP 89 Cb 1.20 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1hqz h ASP 89 CO 0.60 0.27 0.00 -1.20 -3.12 0.00 0.00 179.24 175.79 1hqz n SER 90 N -4.48 0.34 -4.89 6.45 7.64 -1.25 -4.81 113.62 112.63 1hqz n SER 90 Ca 0.11 -2.01 -0.30 0.00 1.01 0.00 0.00 58.87 57.69 1hqz n SER 90 Cb 0.37 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.79 3.44 0.42 -0.43 0.00 -0.65 -4.59 121.76 118.17 1hqz s ALA 91 Ca 0.02 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1hqz s ALA 91 Cb 0.01 -2.57 -0.11 0.00 0.00 0.00 0.00 23.12 20.45 1hqz s ALA 91 CO 0.01 0.06 1.00 -2.30 0.00 0.00 0.00 175.76 174.53 1hqz n PRO 92 N -1.22 1.33 -0.16 0.00 -0.02 -1.26 -4.77 135.00 128.90 1hqz n PRO 92 Ca 0.01 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 61.93 1hqz n PRO 92 Cb 0.54 -2.03 0.03 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.52 -0.54 -0.79 2.45 5.85 -1.94 -1.67 115.31 120.18 1hqz h LEU 93 Ca -0.44 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1hqz h LEU 93 Cb 1.34 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 1hqz h LEU 93 CO 0.57 -0.19 0.52 0.11 -0.34 0.00 0.00 178.44 179.11 1hqz h LYS 94 N -0.03 1.02 -0.25 1.25 1.57 -1.99 -0.76 116.57 117.38 1hqz h LYS 94 Ca 0.24 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1hqz h LYS 94 Cb 0.40 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1hqz h LYS 94 CO -0.53 0.67 -0.31 1.79 -0.57 0.00 0.00 179.45 180.50 1hqz h THR 95 N 1.05 1.28 -0.23 -0.16 1.35 -1.77 -2.25 112.91 112.18 1hqz h THR 95 Ca 0.30 -1.38 -0.11 0.00 -0.55 0.00 0.00 66.41 64.67 1hqz h THR 95 Cb -0.08 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1hqz h THR 95 CO -0.08 0.44 -0.32 0.03 -0.25 0.00 0.00 175.52 175.34 1hqz h ARG 96 N 0.44 0.47 0.00 4.72 3.08 -0.77 -2.36 114.38 119.96 1hqz h ARG 96 Ca 0.06 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1hqz h ARG 96 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1hqz h ARG 96 CO 0.06 0.73 -0.30 0.00 -1.07 0.00 0.00 179.97 179.39 1hqz h ALA 97 N 1.26 1.02 -0.03 0.04 0.00 -0.77 -2.97 119.26 117.81 1hqz h ALA 97 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hqz h ALA 97 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1hqz h ALA 97 CO 0.06 0.37 -0.02 0.43 0.00 0.00 0.00 179.25 180.10 1hqz n SER 98 N -3.47 2.60 0.09 0.00 7.64 -0.88 -4.63 113.62 114.97 1hqz n SER 98 Ca -0.00 -1.86 -0.12 0.00 1.01 0.00 0.00 58.87 57.90 1hqz n SER 98 Cb 0.47 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 1hqz n SER 98 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1hqz h PHE 99 N 4.05 -0.72 -0.48 1.43 3.57 -1.26 -0.06 116.94 123.47 1hqz h PHE 99 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1hqz h PHE 99 Cb 0.87 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.84 1hqz h PHE 99 CO 0.00 -0.37 0.00 0.00 -2.23 0.00 0.00 178.31 175.72 1hqz h ALA 100 N 0.30 0.45 -0.37 2.41 0.00 -1.82 0.67 119.26 120.91 1hqz h ALA 100 Ca 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1hqz h ALA 100 Cb 0.50 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1hqz h ALA 100 CO -0.18 -0.38 0.11 0.00 0.00 0.00 0.00 179.25 178.79 1hqz h ALA 101 N 1.43 0.49 -0.43 0.00 0.00 -1.83 -1.43 119.26 117.48 1hqz h ALA 101 Ca 0.24 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1hqz h ALA 101 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1hqz h ALA 101 CO -0.40 0.14 -0.24 -0.91 0.00 0.00 0.00 179.25 177.85 1hqz h ASN 102 N 0.45 0.90 -0.68 0.00 2.35 -0.37 -1.91 115.58 116.32 1hqz h ASN 102 Ca 0.12 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 1hqz h ASN 102 Cb 0.27 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1hqz h ASN 102 CO -0.00 1.10 0.26 0.15 -1.65 0.00 0.00 177.43 177.28 1hqz h PHE 103 N 0.76 1.06 -0.59 1.19 3.57 0.43 -0.22 116.94 123.13 1hqz h PHE 103 Ca 0.10 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1hqz h PHE 103 Cb 0.78 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1hqz h PHE 103 CO 0.05 0.83 0.15 0.00 -2.23 0.00 0.00 178.31 177.10 1hqz h ALA 104 N 1.12 1.14 -0.26 2.41 0.00 -1.13 -0.34 119.26 122.20 1hqz h ALA 104 Ca 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1hqz h ALA 104 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1hqz h ALA 104 CO -0.02 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.87 1hqz h ALA 105 N 1.27 0.34 -0.21 0.00 0.00 -0.73 -1.32 119.26 118.62 1hqz h ALA 105 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hqz h ALA 105 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hqz h ALA 105 CO -0.00 0.01 0.10 0.28 0.00 0.00 0.00 179.25 179.64 1hqz h VAL 106 N 0.25 1.13 -0.78 0.00 2.07 -0.73 0.13 116.25 118.33 1hqz h VAL 106 Ca 0.08 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1hqz h VAL 106 Cb 0.30 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1hqz h VAL 106 CO 0.00 0.13 0.48 0.00 0.02 0.00 0.00 177.57 178.20 1hqz h ALA 107 N 0.97 1.38 0.00 1.67 0.00 -1.00 0.20 119.26 122.48 1hqz h ALA 107 Ca 0.07 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1hqz h ALA 107 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1hqz h ALA 107 CO -0.01 0.54 -1.42 0.09 0.00 0.00 0.00 179.25 178.45 1hqz n ASN 108 N -4.39 0.75 -0.02 0.00 3.02 -0.51 -3.90 115.26 110.22 1hqz n ASN 108 Ca 0.08 0.32 -0.02 0.00 -0.03 0.00 0.00 54.58 54.93 1hqz n ASN 108 Cb 0.06 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.79 4.07 -0.03 6.41 3.02 0.46 -4.78 115.26 121.61 1hqz n ASN 109 Ca -0.09 -0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.43 1hqz n ASN 109 Cb 0.78 0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 40.43 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 -2.20 0.65 -2.94 3.41 7.94 -0.16 -4.68 117.00 119.02 1hqz n LEU 110 Ca -0.06 0.19 -0.34 0.00 -1.11 0.00 0.00 56.01 54.69 1hqz n LEU 110 Cb 0.61 -0.60 -0.02 0.00 0.53 0.00 0.00 43.42 43.95 1hqz n LEU 110 CO 0.07 -0.44 1.73 0.49 -1.11 0.00 0.00 177.39 178.13 1hqz n PHE 111 N -3.14 2.26 -2.23 1.96 0.99 0.52 -5.00 117.46 112.81 1hqz n PHE 111 Ca -0.04 -2.29 -0.35 0.00 -0.00 0.00 0.00 57.45 54.77 1hqz n PHE 111 Cb 0.15 -1.41 0.00 0.00 -1.00 0.00 0.00 39.48 37.22 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 -2.45 3.38 0.00 -1.08 1.02 -1.25 -3.83 119.74 115.53 1hqz s LYS 112 Ca 0.54 1.66 0.00 0.00 0.02 0.00 0.00 55.97 58.19 1hqz s LYS 112 Cb 0.33 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1hqz s LYS 112 CO -0.23 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 173.77 1hqz n GLY 113 N 0.24 0.86 3.81 -3.33 0.00 -1.26 -5.08 105.19 100.43 1hqz n GLY 113 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.05 3.00 -0.10 1.61 -0.85 -1.25 -4.82 117.35 112.89 1hqz s TYR 114 Ca 0.00 1.46 0.07 0.00 -0.52 0.00 0.00 57.07 58.08 1hqz s TYR 114 Cb 0.00 -2.93 -0.11 0.00 0.38 0.00 0.00 41.96 39.30 1hqz s TYR 114 CO 0.00 -1.33 0.01 0.72 -1.52 0.00 0.00 175.55 173.42 1hqz n HIS 115 N -3.09 0.00 -4.83 -3.49 8.25 0.16 -4.96 115.22 107.27 1hqz n HIS 115 Ca 0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 1hqz n HIS 115 Cb 0.53 -0.48 -0.16 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.24 1.44 -0.09 1.59 1.01 -0.65 -5.01 120.40 116.45 1hqz s VAL 116 Ca -0.07 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1hqz s VAL 116 Cb 0.03 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1hqz s VAL 116 CO 0.38 0.42 -0.17 -1.58 0.00 0.00 0.00 175.10 174.14 1hqz s GLN 117 N 0.20 2.95 -0.02 2.72 0.74 -1.26 -0.83 119.66 124.14 1hqz s GLN 117 Ca -0.08 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.59 1hqz s GLN 117 Cb -0.13 -2.42 0.01 0.00 1.10 0.00 0.00 33.01 31.57 1hqz s GLN 117 CO 0.03 0.35 -0.05 0.08 -0.55 0.00 0.00 175.29 175.15 1hqz s VAL 118 N -0.03 0.46 -0.22 1.34 1.01 -0.33 -4.97 120.40 117.66 1hqz s VAL 118 Ca -0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1hqz s VAL 118 Cb -0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1hqz s VAL 118 CO 0.04 0.18 0.06 -0.89 0.00 0.00 0.00 175.10 174.49 1hqz s THR 119 N 0.47 4.37 0.04 3.92 2.01 -1.26 0.58 115.64 125.77 1hqz s THR 119 Ca -0.06 -0.16 0.06 0.00 0.31 0.00 0.00 61.69 61.84 1hqz s THR 119 Cb -0.09 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1hqz s THR 119 CO -0.00 0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 174.14 1hqz s ALA 120 N 1.21 1.41 -0.12 7.40 0.00 0.87 -4.94 121.76 127.59 1hqz s ALA 120 Ca 0.04 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.16 1hqz s ALA 120 Cb -0.14 -0.25 -0.12 0.00 0.00 0.00 0.00 23.12 22.60 1hqz s ALA 120 CO 0.03 0.29 -0.02 -2.13 0.00 0.00 0.00 175.76 173.93 1hqz n ARG 121 N 1.91 1.51 -3.85 0.00 0.00 -1.26 -0.91 116.66 114.05 1hqz n ARG 121 Ca -0.17 0.03 -0.13 0.00 -0.00 0.00 0.00 57.85 57.57 1hqz n ARG 121 Cb 0.54 -1.29 -0.02 0.00 0.00 0.00 0.00 32.46 31.69 1hqz n ARG 121 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1hqz n ASP 122 N -2.60 -1.52 -0.34 6.15 5.68 -1.26 -3.85 116.55 118.81 1hqz n ASP 122 Ca -0.21 -2.77 0.17 0.00 -0.50 0.00 0.00 54.79 51.48 1hqz n ASP 122 Cb 0.83 2.73 0.38 0.00 -1.14 0.00 0.00 41.12 43.93 1hqz n ASP 122 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1hqz h GLU 123 N 0.00 0.57 0.00 0.11 4.39 -1.95 0.81 114.58 118.51 1hqz h GLU 123 Ca -0.28 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1hqz h GLU 123 Cb 1.16 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1hqz h GLU 123 CO 0.37 0.38 0.00 -0.25 -1.16 0.00 0.00 179.01 178.35 1hqz n ASP 124 N -4.88 0.01 -0.00 1.42 8.00 -1.26 0.22 116.55 120.05 1hqz n ASP 124 Ca 0.27 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.37 1hqz n ASP 124 Cb 0.73 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1hqz n ASP 124 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1hqz n ASP 125 N -1.51 0.86 -1.97 -2.24 8.00 0.27 -4.14 116.55 115.84 1hqz n ASP 125 Ca 0.01 -0.78 -0.23 0.00 0.71 0.00 0.00 54.79 54.50 1hqz n ASP 125 Cb 0.07 0.78 0.11 0.00 -0.02 0.00 0.00 41.12 42.06 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 -1.49 6.07 -4.64 0.64 4.77 0.13 -4.89 117.00 117.60 1hqz n LEU 126 Ca 0.04 -4.15 -0.42 0.00 -0.03 0.00 0.00 56.01 51.45 1hqz n LEU 126 Cb 0.33 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1hqz n LEU 126 CO 0.41 1.49 1.57 -0.62 -1.33 0.00 0.00 177.39 178.90 1hqz s ASP 127 N -2.30 6.22 0.19 -1.43 2.15 -1.21 -4.89 116.67 115.41 1hqz s ASP 127 Ca 0.56 2.16 -0.15 0.00 0.43 0.00 0.00 52.55 55.54 1hqz s ASP 127 Cb 0.46 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.72 1hqz s ASP 127 CO 0.02 -1.30 1.65 -0.08 -0.17 0.00 0.00 175.17 175.29 1hqz h GLU 128 N 11.54 0.01 -0.31 4.34 4.81 -1.94 0.03 114.58 133.06 1hqz h GLU 128 Ca -0.42 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1hqz h GLU 128 Cb 1.21 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1hqz h GLU 128 CO 0.96 0.01 0.08 -0.91 -0.73 0.00 0.00 179.01 178.42 1hqz h ASN 129 N 0.01 0.48 -0.74 1.04 -0.26 -1.99 -0.67 115.58 113.45 1hqz h ASN 129 Ca 0.25 -0.23 0.07 0.00 -0.56 0.00 0.00 56.30 55.82 1hqz h ASN 129 Cb 0.37 -0.13 -0.06 0.00 -1.06 0.00 0.00 38.32 37.45 1hqz h ASN 129 CO -0.51 0.58 0.42 -0.08 -1.06 0.00 0.00 177.43 176.78 1hqz h GLU 130 N 0.35 0.73 -0.14 0.81 4.57 -1.77 -1.96 114.58 117.17 1hqz h GLU 130 Ca 0.10 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1hqz h GLU 130 Cb 0.29 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1hqz h GLU 130 CO 0.00 0.48 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.97 1hqz h LEU 131 N 0.75 0.49 -1.43 1.64 3.38 -0.82 -3.07 115.31 116.25 1hqz h LEU 131 Ca 0.34 -0.55 0.10 0.00 0.09 0.00 0.00 57.88 57.86 1hqz h LEU 131 Cb 0.23 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1hqz h LEU 131 CO -0.20 0.95 0.49 -0.07 0.09 0.00 0.00 178.44 179.70 1hqz h LEU 132 N 0.05 0.57 -0.09 1.67 3.38 -0.90 -1.31 115.31 118.69 1hqz h LEU 132 Ca 0.01 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1hqz h LEU 132 Cb 0.87 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1hqz h LEU 132 CO 0.06 0.34 -0.06 -0.03 0.09 0.00 0.00 178.44 178.84 1hqz h MET 133 N 0.63 -0.06 0.00 1.13 4.05 -1.28 -0.84 114.93 118.57 1hqz h MET 133 Ca 0.35 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.75 1hqz h MET 133 Cb 0.50 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1hqz h MET 133 CO -0.13 -0.04 -0.10 0.87 0.23 0.00 0.00 176.91 177.74 1hqz h LYS 134 N -0.06 0.00 0.00 0.39 1.57 -1.18 -2.52 116.57 114.77 1hqz h LYS 134 Ca 0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1hqz h LYS 134 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1hqz h LYS 134 CO -0.13 0.10 -0.79 0.82 -0.57 0.00 0.00 179.45 178.88 1hqz h ILE 135 N 0.00 0.75 0.00 1.86 2.04 -0.54 -3.23 117.51 118.40 1hqz h ILE 135 Ca -0.00 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.71 1hqz h ILE 135 Cb 0.40 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1hqz h ILE 135 CO 0.01 0.43 0.00 -1.20 0.00 0.00 0.00 178.15 177.39 1hqz n SER 136 N -3.12 0.00 -3.88 1.72 7.64 -0.41 -4.03 113.62 111.56 1hqz n SER 136 Ca -0.01 0.06 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 1hqz n SER 136 Cb 0.76 -0.29 -0.13 0.00 -1.01 0.00 0.00 64.21 63.54 1hqz n SER 136 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1hqz s ASN 137 N -2.59 4.32 0.00 6.43 0.01 -1.22 -5.08 114.94 116.81 1hqz s ASN 137 Ca 0.16 -3.33 0.00 0.00 -0.71 0.00 0.00 52.86 48.97 1hqz s ASN 137 Cb 0.11 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.26 1hqz s ASN 137 CO 0.26 -0.17 0.00 0.00 -1.51 0.00 0.00 177.10 175.68