#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qog s THR 2 N 0.00 1.31 0.08 0.00 2.01 -1.26 -0.97 115.64 116.81 1qog s THR 2 Ca 0.00 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.50 1qog s THR 2 Cb 0.00 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1qog s THR 2 CO 0.00 0.39 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.80 1qog s PHE 3 N 0.61 2.59 -0.16 4.92 0.08 0.61 -4.91 117.98 121.74 1qog s PHE 3 Ca -0.15 -0.23 -0.27 0.00 0.12 0.00 0.00 56.93 56.40 1qog s PHE 3 Cb -0.16 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1qog s PHE 3 CO 0.05 0.34 0.89 0.21 -0.10 0.00 0.00 175.22 176.61 1qog s LYS 4 N -1.86 4.33 -0.15 0.44 2.20 -1.26 -0.91 119.74 122.51 1qog s LYS 4 Ca 0.17 1.13 0.02 0.00 -0.36 0.00 0.00 55.97 56.93 1qog s LYS 4 Cb -0.11 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1qog s LYS 4 CO 0.09 -0.34 -0.20 0.08 -0.36 0.00 0.00 175.35 174.62 1qog s VAL 5 N 2.17 2.22 -0.23 4.02 1.01 -0.57 -0.26 120.40 128.76 1qog s VAL 5 Ca 0.41 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1qog s VAL 5 Cb -0.17 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1qog s VAL 5 CO 0.13 0.54 0.10 -0.89 0.00 0.00 0.00 175.10 174.98 1qog s THR 6 N 0.91 4.72 -0.24 3.92 2.01 0.21 -1.21 115.64 125.96 1qog s THR 6 Ca -0.04 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 1qog s THR 6 Cb -0.15 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1qog s THR 6 CO -0.03 0.36 0.09 -0.76 -0.69 0.00 0.00 174.62 173.59 1qog s LEU 7 N 1.20 3.64 -0.12 4.42 1.43 0.16 -0.47 118.68 128.94 1qog s LEU 7 Ca 0.05 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1qog s LEU 7 Cb -0.14 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1qog s LEU 7 CO 0.04 0.00 -0.22 -0.63 0.23 0.00 0.00 176.35 175.77 1qog s ILE 8 N 1.39 2.02 -0.58 -0.59 1.01 0.11 -0.98 121.20 123.57 1qog s ILE 8 Ca 0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1qog s ILE 8 Cb -0.15 -1.77 0.15 0.00 0.01 0.00 0.00 42.46 40.70 1qog s ILE 8 CO 0.05 0.55 0.42 0.21 0.00 0.00 0.00 174.94 176.16 1qog s ASN 9 N 0.62 5.47 0.15 3.58 3.84 -0.60 0.52 114.94 128.52 1qog s ASN 9 Ca -0.12 -2.54 -0.17 0.00 0.21 0.00 0.00 52.86 50.24 1qog s ASN 9 Cb -0.17 -1.91 0.05 0.00 -0.55 0.00 0.00 41.25 38.67 1qog s ASN 9 CO 0.03 -0.47 1.74 -0.33 -2.79 0.00 0.00 177.10 175.27 1qog h GLU 10 N 7.51 0.21 -0.59 0.43 5.08 -1.85 0.65 114.58 126.02 1qog h GLU 10 Ca -0.05 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1qog h GLU 10 Cb 1.00 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.11 1qog h GLU 10 CO 0.74 0.14 0.12 0.00 -1.00 0.00 0.00 179.01 179.00 1qog h ALA 11 N 1.23 0.69 0.00 3.43 0.00 -1.93 -2.21 119.26 120.46 1qog h ALA 11 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qog h ALA 11 Cb 0.15 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qog h ALA 11 CO -0.18 -0.31 -0.76 1.49 0.00 0.00 0.00 179.25 179.49 1qog h GLU 12 N 0.25 0.00 -2.42 0.00 4.57 -1.92 -3.48 114.58 111.58 1qog h GLU 12 Ca 0.31 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.36 1qog h GLU 12 Cb 0.46 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.09 1qog h GLU 12 CO -0.40 0.00 -0.21 0.41 -1.18 0.00 0.00 179.01 177.63 1qog n GLY 13 N 1.27 0.47 3.54 1.92 0.00 0.22 -5.03 105.19 107.58 1qog n GLY 13 Ca 0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1qog n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qog s THR 14 N -3.06 3.11 -0.07 2.61 -4.23 -0.58 -4.98 115.64 108.45 1qog s THR 14 Ca 0.17 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1qog s THR 14 Cb -0.08 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.32 1qog s THR 14 CO 0.21 0.05 0.00 -0.75 -0.54 0.00 0.00 174.62 173.59 1qog s LYS 15 N -2.35 0.55 -0.03 3.99 2.20 -1.26 -1.56 119.74 121.28 1qog s LYS 15 Ca 0.21 0.12 0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1qog s LYS 15 Cb -0.10 -0.91 -0.00 0.00 -1.51 0.00 0.00 37.83 35.31 1qog s LYS 15 CO 0.13 -0.29 -0.14 -1.01 -0.36 0.00 0.00 175.35 173.68 1qog s HIS 16 N 1.89 1.36 -0.10 4.03 3.76 -0.16 -4.96 115.29 121.11 1qog s HIS 16 Ca 0.03 -0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 54.61 1qog s HIS 16 Cb -0.12 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 1qog s HIS 16 CO -0.05 -0.09 -0.07 -1.21 -0.85 0.00 0.00 174.74 172.48 1qog s GLU 17 N -0.08 3.06 0.11 1.40 2.02 -1.26 0.40 118.70 124.34 1qog s GLU 17 Ca 0.00 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 54.47 1qog s GLU 17 Cb -0.08 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1qog s GLU 17 CO 0.01 0.51 -0.08 0.96 0.02 0.00 0.00 175.26 176.68 1qog s ILE 18 N -0.39 0.85 -0.20 -1.63 -4.36 -0.35 -5.01 121.20 110.11 1qog s ILE 18 Ca 0.06 -1.88 -0.07 0.00 -0.26 0.00 0.00 60.65 58.51 1qog s ILE 18 Cb -0.12 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 1qog s ILE 18 CO 0.02 -0.77 0.04 -1.61 0.24 0.00 0.00 174.94 172.87 1qog s GLU 19 N -3.53 3.81 -0.06 0.37 0.41 -1.26 -1.51 118.70 116.92 1qog s GLU 19 Ca 0.11 -0.43 0.02 0.00 -0.41 0.00 0.00 54.97 54.26 1qog s GLU 19 Cb 0.02 -3.18 0.02 0.00 -1.78 0.00 0.00 34.13 29.21 1qog s GLU 19 CO -0.02 0.12 -0.09 0.08 -0.49 0.00 0.00 175.26 174.85 1qog s VAL 20 N 0.77 0.92 0.58 2.63 1.01 -0.09 -4.93 120.40 121.27 1qog s VAL 20 Ca 0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1qog s VAL 20 Cb -0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1qog s VAL 20 CO 0.02 0.31 1.14 -2.84 0.00 0.00 0.00 175.10 173.73 1qog s PRO 21 N 0.82 3.17 0.54 2.72 0.02 -1.26 -0.28 135.00 140.72 1qog s PRO 21 Ca -0.12 1.62 0.36 0.00 0.02 0.00 0.00 61.00 62.88 1qog s PRO 21 Cb -0.15 -1.98 1.95 0.00 0.02 0.00 0.00 34.50 34.34 1qog s PRO 21 CO 0.02 -1.00 2.10 0.38 -0.33 0.00 0.00 177.00 178.17 1qog h ASP 22 N 0.92 0.00 -0.31 2.53 3.04 -1.34 -1.97 116.42 119.30 1qog h ASP 22 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 1qog h ASP 22 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 1qog h ASP 22 CO 0.56 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.86 1qog n ASP 23 N -2.77 4.11 -4.19 4.15 5.68 -1.26 -4.69 116.55 117.58 1qog n ASP 23 Ca -0.02 -2.95 -0.26 0.00 -0.50 0.00 0.00 54.79 51.06 1qog n ASP 23 Cb 0.06 -0.55 -0.16 0.00 -1.14 0.00 0.00 41.12 39.34 1qog n ASP 23 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1qog s GLU 24 N -2.71 1.60 0.47 0.11 2.12 -0.74 -5.11 118.70 114.44 1qog s GLU 24 Ca 0.43 -0.69 -0.23 0.00 0.36 0.00 0.00 54.97 54.84 1qog s GLU 24 Cb 0.34 -1.53 -0.07 0.00 0.26 0.00 0.00 34.13 33.13 1qog s GLU 24 CO 0.10 0.41 1.25 0.71 -0.54 0.00 0.00 175.26 177.19 1qog s TYR 25 N -0.42 2.69 0.19 5.30 2.02 -1.26 -4.49 117.35 121.38 1qog s TYR 25 Ca 0.07 1.46 -0.12 0.00 -0.37 0.00 0.00 57.07 58.11 1qog s TYR 25 Cb -0.08 -3.57 0.21 0.00 -0.40 0.00 0.00 41.96 38.12 1qog s TYR 25 CO -0.01 -2.05 1.75 0.82 -1.57 0.00 0.00 175.55 174.50 1qog h ILE 26 N 1.88 0.83 -0.14 2.71 2.04 -1.07 -2.71 117.51 121.05 1qog h ILE 26 Ca -0.50 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1qog h ILE 26 Cb 1.26 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1qog h ILE 26 CO 0.60 0.07 0.05 0.25 0.00 0.00 0.00 178.15 179.13 1qog h LEU 27 N 0.40 0.07 -0.39 1.44 5.85 -1.74 -2.05 115.31 118.90 1qog h LEU 27 Ca 0.26 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.05 1qog h LEU 27 Cb 0.28 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1qog h LEU 27 CO -0.25 0.06 0.07 0.44 -0.34 0.00 0.00 178.44 178.42 1qog h ASP 28 N 0.13 0.00 -0.14 1.25 3.32 -1.82 -2.10 116.42 117.06 1qog h ASP 28 Ca 0.06 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1qog h ASP 28 Cb 0.03 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1qog h ASP 28 CO -0.06 0.04 0.08 0.00 -1.72 0.00 0.00 179.24 177.58 1qog h ALA 29 N 1.29 0.17 -0.81 3.45 0.00 -1.32 -1.76 119.26 120.29 1qog h ALA 29 Ca 0.19 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1qog h ALA 29 Cb 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1qog h ALA 29 CO -0.25 -0.36 0.53 0.00 0.00 0.00 0.00 179.25 179.17 1qog h ALA 30 N 1.07 1.04 -0.11 0.00 0.00 -1.19 0.10 119.26 120.17 1qog h ALA 30 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qog h ALA 30 Cb -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1qog h ALA 30 CO -0.03 0.39 0.05 0.93 0.00 0.00 0.00 179.25 180.59 1qog h GLU 31 N 1.05 0.15 -0.22 0.00 5.08 -1.22 0.23 114.58 119.66 1qog h GLU 31 Ca 0.31 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1qog h GLU 31 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1qog h GLU 31 CO -0.09 0.22 0.15 0.93 -1.00 0.00 0.00 179.01 179.22 1qog h GLU 32 N 0.05 0.17 -0.07 2.33 5.08 -0.88 -0.94 114.58 120.32 1qog h GLU 32 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1qog h GLU 32 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1qog h GLU 32 CO -0.00 0.11 0.00 1.04 -1.00 0.00 0.00 179.01 179.16 1qog n GLN 33 N -4.50 1.39 -0.24 2.33 6.02 -0.02 -4.90 117.38 117.46 1qog n GLN 33 Ca 0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 1qog n GLN 33 Cb 0.17 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1qog n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qog n GLY 34 N 1.00 0.88 3.12 1.08 0.00 -0.36 -5.04 105.19 105.87 1qog n GLY 34 Ca 0.17 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1qog n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qog s TYR 35 N -2.00 3.47 0.05 1.61 2.02 0.75 -4.99 117.35 118.25 1qog s TYR 35 Ca 0.00 -2.28 -0.30 0.00 -0.37 0.00 0.00 57.07 54.12 1qog s TYR 35 Cb 0.00 -2.64 -0.05 0.00 -0.40 0.00 0.00 41.96 38.87 1qog s TYR 35 CO 0.00 -0.89 1.09 -0.51 -1.57 0.00 0.00 175.55 173.67 1qog s ASP 36 N 1.40 7.23 0.16 2.29 1.01 -1.26 -3.11 116.67 124.39 1qog s ASP 36 Ca 0.02 1.87 0.08 0.00 0.71 0.00 0.00 52.55 55.24 1qog s ASP 36 Cb -0.21 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 1qog s ASP 36 CO -0.04 -0.34 -0.18 -0.76 0.21 0.00 0.00 175.17 174.06 1qog s LEU 37 N 0.83 2.44 0.48 1.23 1.43 -1.26 -5.06 118.68 118.76 1qog s LEU 37 Ca 0.54 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 1qog s LEU 37 Cb -0.26 -0.82 -0.07 0.00 0.03 0.00 0.00 46.19 45.07 1qog s LEU 37 CO 0.29 -0.04 1.32 -2.16 0.23 0.00 0.00 176.35 175.99 1qog s PRO 38 N -2.81 3.57 0.07 1.29 0.05 -1.26 -5.01 135.00 130.90 1qog s PRO 38 Ca 0.16 2.16 -0.27 0.00 0.05 0.00 0.00 61.00 63.10 1qog s PRO 38 Cb -0.06 -2.48 0.09 0.00 0.05 0.00 0.00 34.50 32.10 1qog s PRO 38 CO 0.06 -0.83 1.03 -0.59 0.05 0.00 0.00 177.00 176.73 1qog s PHE 39 N -1.32 -0.15 0.00 0.56 -0.12 -1.26 -3.91 117.98 111.78 1qog s PHE 39 Ca 0.64 -0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.45 1qog s PHE 39 Cb -0.38 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 42.61 1qog s PHE 39 CO 0.47 -0.63 0.00 0.45 -0.05 0.00 0.00 175.22 175.46 1qog n SER 40 N -0.42 0.00 0.07 1.98 2.88 -1.26 -4.92 113.62 111.95 1qog n SER 40 Ca -0.07 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.45 1qog n SER 40 Cb 0.61 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.31 1qog n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qog n ARG 42 N -4.08 -1.65 -0.02 0.00 1.74 -1.26 -4.83 116.66 106.56 1qog n ARG 42 Ca -0.01 0.69 0.02 0.00 -0.77 0.00 0.00 57.85 57.78 1qog n ARG 42 Cb 0.43 -5.03 0.03 0.00 -1.02 0.00 0.00 32.46 26.87 1qog n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qog n ALA 43 N 1.12 2.03 -1.10 7.54 0.00 -1.26 -4.86 120.51 123.98 1qog n ALA 43 Ca -0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 53.44 52.04 1qog n ALA 43 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 1qog n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qog n GLY 44 N -0.67 0.64 1.05 0.00 0.00 -1.26 -4.78 105.19 100.17 1qog n GLY 44 Ca 0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1qog n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qog n ALA 45 N 1.06 4.13 -3.68 4.61 0.00 -1.26 -0.90 120.51 124.47 1qog n ALA 45 Ca -0.03 -3.42 -0.04 0.00 0.00 0.00 0.00 53.44 49.95 1qog n ALA 45 Cb 0.15 -0.41 0.01 0.00 0.00 0.00 0.00 19.45 19.20 1qog n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qog n ALA 47 N -1.15 3.30 -0.24 0.00 0.00 -1.26 -4.74 120.51 116.41 1qog n ALA 47 Ca -0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 1qog n ALA 47 Cb 0.46 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.50 1qog n ALA 47 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qog h THR 48 N 0.71 0.17 -0.31 0.00 2.02 -1.93 -1.33 112.91 112.25 1qog h THR 48 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qog h THR 48 Cb 0.36 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1qog h THR 48 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1qog n ALA 50 N 0.40 1.13 -2.39 0.00 0.00 -0.50 -3.07 120.51 116.09 1qog n ALA 50 Ca 0.12 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.75 1qog n ALA 50 Cb 0.50 -2.26 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 1qog n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qog s GLY 51 N 0.09 2.21 -0.07 0.00 0.00 0.17 -1.42 107.32 108.30 1qog s GLY 51 Ca 0.64 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1qog s GLY 51 CO 0.54 -1.66 -0.06 1.25 0.00 0.00 0.00 173.10 173.17 1qog s LYS 52 N -3.78 1.13 0.24 2.90 2.20 0.73 -0.49 119.74 122.68 1qog s LYS 52 Ca 0.33 -0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 1qog s LYS 52 Cb 0.05 -1.19 -0.10 0.00 -1.51 0.00 0.00 37.83 35.08 1qog s LYS 52 CO 0.17 -0.17 1.47 -0.51 -0.36 0.00 0.00 175.35 175.95 1qog s LEU 53 N 1.35 4.38 -0.26 5.43 1.43 0.65 -0.88 118.68 130.77 1qog s LEU 53 Ca -0.03 2.69 -0.09 0.00 -1.03 0.00 0.00 54.13 55.67 1qog s LEU 53 Cb -0.14 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 1qog s LEU 53 CO -0.03 -0.73 -0.30 0.52 0.23 0.00 0.00 176.35 176.03 1qog n VAL 54 N 2.48 1.45 -3.84 -1.59 0.31 0.11 -4.91 118.33 112.34 1qog n VAL 54 Ca 0.08 -0.43 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 1qog n VAL 54 Cb 0.40 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 1qog n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1qog s SER 55 N -7.08 -0.14 0.00 4.52 1.04 -1.12 -4.97 113.70 105.95 1qog s SER 55 Ca -0.36 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1qog s SER 55 Cb 0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1qog s SER 55 CO 0.50 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1qog n GLY 56 N -0.30 -1.10 3.32 7.32 0.00 -1.25 -1.95 105.19 111.22 1qog n GLY 56 Ca -0.08 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 1qog n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qog s THR 57 N -1.55 1.77 0.06 2.61 -4.23 -1.26 -4.96 115.64 108.08 1qog s THR 57 Ca 0.00 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1qog s THR 57 Cb 0.00 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1qog s THR 57 CO 0.00 -0.32 -0.04 0.68 -0.54 0.00 0.00 174.62 174.40 1qog s VAL 58 N -2.04 0.33 -0.35 2.29 -7.23 -1.26 -0.47 120.40 111.66 1qog s VAL 58 Ca 0.15 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1qog s VAL 58 Cb -0.06 -1.41 0.08 0.00 0.56 0.00 0.00 36.38 35.56 1qog s VAL 58 CO 0.06 -0.90 0.09 -0.62 -0.31 0.00 0.00 175.10 173.42 1qog s ASP 59 N -2.77 5.05 -0.33 4.85 2.15 0.71 -4.87 116.67 121.46 1qog s ASP 59 Ca 0.05 -1.67 0.07 0.00 0.43 0.00 0.00 52.55 51.43 1qog s ASP 59 Cb 0.05 -1.76 0.45 0.00 -0.30 0.00 0.00 42.92 41.36 1qog s ASP 59 CO -0.08 -0.39 1.17 0.00 -0.17 0.00 0.00 175.17 175.70 1qog n GLN 60 N 4.58 3.52 0.26 4.34 10.64 -1.26 -1.64 117.38 137.82 1qog n GLN 60 Ca -0.07 -4.24 0.17 0.00 -1.83 0.00 0.00 57.00 51.03 1qog n GLN 60 Cb 0.42 -2.25 0.90 0.00 -0.86 0.00 0.00 30.24 28.45 1qog n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qog h SER 61 N 2.29 0.00 0.30 2.61 4.64 -1.92 -1.10 113.55 120.37 1qog h SER 61 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1qog h SER 61 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1qog h SER 61 CO 0.77 0.00 -0.39 0.47 -0.87 0.00 0.00 176.83 176.81 1qog n ASP 62 N -2.69 0.91 -4.77 4.97 8.00 -1.26 -4.91 116.55 116.80 1qog n ASP 62 Ca -0.02 -0.72 -0.36 0.00 0.71 0.00 0.00 54.79 54.40 1qog n ASP 62 Cb 0.10 0.24 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1qog n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qog s GLN 63 N -2.69 3.35 0.00 -1.24 1.03 -0.42 -4.78 119.66 114.91 1qog s GLN 63 Ca 0.19 1.73 0.00 0.00 0.04 0.00 0.00 55.36 57.31 1qog s GLN 63 Cb 0.18 -2.09 0.00 0.00 0.03 0.00 0.00 33.01 31.14 1qog s GLN 63 CO 0.60 -0.88 0.21 -1.13 -2.54 0.00 0.00 175.29 171.55 1qog n SER 64 N -1.17 0.13 -0.06 12.60 3.41 -0.08 -4.91 113.62 123.54 1qog n SER 64 Ca 0.11 -1.03 -0.09 0.00 -0.26 0.00 0.00 58.87 57.60 1qog n SER 64 Cb 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.30 1qog n SER 64 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1qog n PHE 65 N -0.02 0.43 -2.75 7.33 7.35 -1.02 -4.97 117.46 123.82 1qog n PHE 65 Ca 0.00 0.16 -0.34 0.00 -0.76 0.00 0.00 57.45 56.51 1qog n PHE 65 Cb 0.30 -1.08 -0.06 0.00 0.35 0.00 0.00 39.48 38.99 1qog n PHE 65 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1qog s LEU 66 N -5.74 3.96 0.47 -2.13 1.43 -1.26 -5.00 118.68 110.41 1qog s LEU 66 Ca -0.08 1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 54.78 1qog s LEU 66 Cb 0.07 -4.49 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 1qog s LEU 66 CO 0.83 -0.43 0.71 1.51 0.23 0.00 0.00 176.35 179.20 1qog s ASP 67 N -2.08 5.82 0.44 2.29 1.47 -1.26 -4.85 116.67 118.50 1qog s ASP 67 Ca 0.62 0.38 0.23 0.00 1.18 0.00 0.00 52.55 54.96 1qog s ASP 67 Cb -0.12 -1.59 1.22 0.00 -0.34 0.00 0.00 42.92 42.10 1qog s ASP 67 CO 0.16 -0.75 1.79 -2.24 0.68 0.00 0.00 175.17 174.81 1qog h ASP 68 N 0.31 0.32 -0.03 2.11 2.03 -1.99 0.13 116.42 119.30 1qog h ASP 68 Ca -0.46 0.06 -0.01 0.00 -0.73 0.00 0.00 57.03 55.89 1qog h ASP 68 Cb 1.25 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1qog h ASP 68 CO 0.58 0.06 -0.04 0.44 -1.03 0.00 0.00 179.24 179.26 1qog h ASP 69 N 0.28 0.08 -0.91 4.15 3.32 -2.00 -1.65 116.42 119.70 1qog h ASP 69 Ca 0.57 -0.53 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1qog h ASP 69 Cb 1.67 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 41.15 1qog h ASP 69 CO -0.21 0.59 0.60 1.56 -1.72 0.00 0.00 179.24 180.05 1qog h GLN 70 N -0.44 1.16 0.35 3.56 4.20 -1.24 -2.12 115.11 120.58 1qog h GLN 70 Ca 0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1qog h GLN 70 Cb 0.57 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1qog h GLN 70 CO 0.01 0.76 -0.19 0.82 -0.67 0.00 0.00 178.83 179.56 1qog h ILE 71 N 1.19 0.60 -1.00 2.54 2.04 -0.85 -2.51 117.51 119.53 1qog h ILE 71 Ca 0.35 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.40 1qog h ILE 71 Cb -0.07 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 1qog h ILE 71 CO -0.10 0.00 0.61 -0.08 0.00 0.00 0.00 178.15 178.59 1qog h GLU 72 N -0.51 0.69 0.00 2.37 4.81 -0.87 -0.43 114.58 120.64 1qog h GLU 72 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1qog h GLU 72 Cb 0.41 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1qog h GLU 72 CO 0.06 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 1qog n ALA 73 N -2.36 1.35 0.00 2.92 0.00 -0.83 -4.83 120.51 116.77 1qog n ALA 73 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1qog n ALA 73 Cb 0.60 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1qog n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qog n GLY 74 N -0.68 0.88 3.76 0.00 0.00 -0.17 -4.85 105.19 104.12 1qog n GLY 74 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1qog n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qog s TYR 75 N -2.00 3.39 0.00 1.61 2.02 -1.08 -0.25 117.35 121.04 1qog s TYR 75 Ca 0.00 1.59 0.01 0.00 -0.37 0.00 0.00 57.07 58.30 1qog s TYR 75 Cb 0.00 -3.43 -0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1qog s TYR 75 CO 0.00 -1.02 -0.04 0.08 -1.57 0.00 0.00 175.55 172.99 1qog s VAL 76 N -1.10 0.34 -0.66 0.71 1.01 0.36 -4.66 120.40 116.41 1qog s VAL 76 Ca 0.46 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1qog s VAL 76 Cb -0.35 -0.30 0.15 0.00 0.00 0.00 0.00 36.38 35.88 1qog s VAL 76 CO 0.45 0.05 0.67 -0.76 0.00 0.00 0.00 175.10 175.51 1qog s LEU 77 N -0.23 6.06 0.58 3.92 1.43 -1.26 0.44 118.68 129.63 1qog s LEU 77 Ca 0.00 -1.97 0.29 0.00 -1.03 0.00 0.00 54.13 51.42 1qog s LEU 77 Cb -0.02 -2.25 1.48 0.00 0.03 0.00 0.00 46.19 45.43 1qog s LEU 77 CO -0.00 -0.86 1.91 0.71 0.23 0.00 0.00 176.35 178.34 1qog h THR 78 N 5.59 0.42 0.00 5.49 1.35 -1.90 -1.62 112.91 122.23 1qog h THR 78 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1qog h THR 78 Cb 1.07 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1qog h THR 78 CO 0.98 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.25 1qog n VAL 80 N -1.76 0.44 -4.45 0.00 0.24 -0.62 -4.85 118.33 107.34 1qog n VAL 80 Ca 0.03 -1.05 -0.34 0.00 -2.04 0.00 0.00 64.34 60.95 1qog n VAL 80 Cb 0.21 0.57 -0.12 0.00 -1.47 0.00 0.00 33.84 33.02 1qog n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qog s ALA 81 N -0.66 2.97 -0.12 2.33 0.00 -1.17 -4.39 121.76 120.71 1qog s ALA 81 Ca 0.23 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 1qog s ALA 81 Cb 0.25 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1qog s ALA 81 CO -0.08 0.24 -0.02 0.71 0.00 0.00 0.00 175.76 176.61 1qog s TYR 82 N 0.29 3.09 0.46 0.00 2.02 -0.65 -0.85 117.35 121.71 1qog s TYR 82 Ca -0.04 -0.04 -0.22 0.00 -0.37 0.00 0.00 57.07 56.40 1qog s TYR 82 Cb -0.14 -1.88 -0.08 0.00 -0.40 0.00 0.00 41.96 39.46 1qog s TYR 82 CO 0.03 0.21 1.09 -1.25 -1.57 0.00 0.00 175.55 174.07 1qog s PRO 83 N -0.23 3.83 0.00 -1.71 0.04 -1.26 -0.21 135.00 135.46 1qog s PRO 83 Ca 0.05 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.69 1qog s PRO 83 Cb -0.13 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1qog s PRO 83 CO 0.02 -0.44 0.40 0.25 0.04 0.00 0.00 177.00 177.27 1qog n THR 84 N -0.60 0.00 -3.85 1.26 -2.24 0.38 -4.71 114.28 104.51 1qog n THR 84 Ca 0.08 -0.47 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 1qog n THR 84 Cb 0.50 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 1qog n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qog s SER 85 N -0.70 -0.02 0.41 3.42 1.04 -1.20 -4.87 113.70 111.78 1qog s SER 85 Ca 0.03 -0.70 -0.26 0.00 0.48 0.00 0.00 55.95 55.50 1qog s SER 85 Cb 0.03 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.60 1qog s SER 85 CO 0.07 -1.08 1.35 -1.81 0.98 0.00 0.00 173.24 172.76 1qog s ASP 86 N -3.29 6.22 0.02 7.02 1.01 -1.26 -4.59 116.67 121.80 1qog s ASP 86 Ca 0.19 2.77 0.01 0.00 0.71 0.00 0.00 52.55 56.23 1qog s ASP 86 Cb -0.03 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 1qog s ASP 86 CO 0.06 -0.93 -0.04 -0.69 0.21 0.00 0.00 175.17 173.78 1qog s VAL 87 N -1.22 0.22 -0.18 -1.27 1.01 0.64 -3.97 120.40 115.63 1qog s VAL 87 Ca 0.57 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1qog s VAL 87 Cb -0.40 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1qog s VAL 87 CO 0.52 -0.39 -0.14 -0.69 0.00 0.00 0.00 175.10 174.40 1qog s VAL 88 N -1.23 2.60 0.01 2.92 1.01 -0.82 0.63 120.40 125.52 1qog s VAL 88 Ca -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1qog s VAL 88 Cb -0.09 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1qog s VAL 88 CO -0.00 0.50 -0.02 -0.51 0.00 0.00 0.00 175.10 175.07 1qog s ILE 89 N 1.19 0.09 -0.15 2.22 2.07 0.38 0.10 121.20 127.10 1qog s ILE 89 Ca 0.02 -0.36 -0.16 0.00 -1.41 0.00 0.00 60.65 58.74 1qog s ILE 89 Cb -0.14 -0.14 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 1qog s ILE 89 CO -0.06 -0.17 0.39 -1.10 -1.91 0.00 0.00 174.94 172.09 1qog s GLN 90 N -0.55 4.27 0.57 3.50 -0.21 -0.06 0.05 119.66 127.24 1qog s GLN 90 Ca -0.05 0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.61 1qog s GLN 90 Cb -0.04 -3.46 0.06 0.00 1.00 0.00 0.00 33.01 30.58 1qog s GLN 90 CO -0.00 0.14 0.80 0.95 -2.12 0.00 0.00 175.29 175.06 1qog s THR 91 N 0.72 2.53 -1.44 -0.19 -4.23 0.19 -0.19 115.64 113.03 1qog s THR 91 Ca 0.21 -0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 59.91 1qog s THR 91 Cb -0.14 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 70.92 1qog s THR 91 CO 0.07 0.00 0.92 1.41 -0.54 0.00 0.00 174.62 176.49 1qog n HIS 92 N -2.37 -2.46 0.11 3.99 8.25 -1.19 -4.74 115.22 116.80 1qog n HIS 92 Ca 0.11 0.79 0.07 0.00 -0.26 0.00 0.00 57.72 58.43 1qog n HIS 92 Cb 0.60 -4.78 0.25 0.00 1.12 0.00 0.00 29.99 27.18 1qog n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qog n LYS 93 N -4.54 2.77 -0.32 -0.41 4.76 -0.51 -4.45 118.16 115.46 1qog n LYS 93 Ca -0.04 -1.97 0.24 0.00 -2.87 0.00 0.00 58.31 53.66 1qog n LYS 93 Cb 0.59 -1.64 0.54 0.00 -1.84 0.00 0.00 35.03 32.67 1qog n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1qog h GLU 94 N 2.91 0.33 -0.65 1.97 4.81 -1.77 -0.63 114.58 121.55 1qog h GLU 94 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1qog h GLU 94 Cb 1.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1qog h GLU 94 CO 0.13 0.22 0.25 0.93 -0.73 0.00 0.00 179.01 179.81 1qog h GLU 95 N 0.34 0.96 -0.01 1.92 5.08 -1.91 -2.67 114.58 118.29 1qog h GLU 95 Ca 0.60 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1qog h GLU 95 Cb 1.61 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1qog h GLU 95 CO -0.27 0.79 0.03 -0.44 -1.00 0.00 0.00 179.01 178.12 1qog h ASP 96 N 0.94 0.00 -0.43 1.42 5.19 -1.45 -2.69 116.42 119.40 1qog h ASP 96 Ca 0.22 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.49 1qog h ASP 96 Cb 0.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1qog h ASP 96 CO -0.02 0.00 -0.28 -0.07 -3.12 0.00 0.00 179.24 175.75 1qog h LEU 97 N 0.00 1.01 -1.77 1.55 3.38 -1.56 -3.54 115.31 114.38 1qog h LEU 97 Ca 0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qog h LEU 97 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1qog h LEU 97 CO -0.00 1.21 0.00 -1.22 0.09 0.00 0.00 178.44 178.52