#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqs n PHE 2 N 0.00 -1.03 -2.72 -1.77 3.72 -1.26 -5.09 117.46 109.31 1iqs n PHE 2 Ca 0.00 -0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 1iqs n PHE 2 Cb 0.00 0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1iqs n PHE 2 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1iqs s ILE 3 N -2.85 4.29 -0.83 4.37 1.09 -1.26 -4.94 121.20 121.07 1iqs s ILE 3 Ca 0.02 -1.15 -0.22 0.00 -1.10 0.00 0.00 60.65 58.20 1iqs s ILE 3 Cb -0.00 -4.94 -0.20 0.00 -1.06 0.00 0.00 42.46 36.26 1iqs s ILE 3 CO 0.01 -1.75 2.38 0.00 -0.10 0.00 0.00 174.94 175.48 1iqs n ALA 4 N 7.82 0.64 -2.57 9.38 0.00 -1.26 -4.87 120.51 129.66 1iqs n ALA 4 Ca 0.29 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 1iqs n ALA 4 Cb 0.50 -2.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.00 1iqs n ALA 4 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iqs s THR 5 N 9.34 4.90 -0.08 0.00 -4.23 -1.26 -4.38 115.64 119.92 1iqs s THR 5 Ca 1.11 0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 62.12 1iqs s THR 5 Cb -0.49 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.24 1iqs s THR 5 CO 0.31 -0.32 0.09 -0.22 -0.54 0.00 0.00 174.62 173.93 1iqs s LEU 6 N 2.69 4.03 -0.31 4.79 2.96 -1.14 -5.01 118.68 126.69 1iqs s LEU 6 Ca 0.24 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1iqs s LEU 6 Cb -0.15 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.61 1iqs s LEU 6 CO 0.15 0.37 0.15 -0.54 -1.32 0.00 0.00 176.35 175.16 1iqs s LYS 7 N -1.15 0.32 -0.19 1.98 1.02 -1.26 -2.53 119.74 117.93 1iqs s LYS 7 Ca 0.16 -0.79 -0.15 0.00 0.02 0.00 0.00 55.97 55.22 1iqs s LYS 7 Cb -0.12 -1.25 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 1iqs s LYS 7 CO 0.06 -1.07 0.34 0.20 -0.92 0.00 0.00 175.35 173.96 1iqs s GLY 8 N 1.78 2.11 -0.13 -3.33 0.00 -0.85 -5.02 107.32 101.88 1iqs s GLY 8 Ca 0.12 -0.55 -0.23 0.00 0.00 0.00 0.00 44.72 44.06 1iqs s GLY 8 CO -0.26 0.67 0.69 -0.42 0.00 0.00 0.00 173.10 173.78 1iqs s ILE 9 N 1.06 5.02 -0.35 0.90 1.01 -1.26 -2.91 121.20 124.66 1iqs s ILE 9 Ca 0.17 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1iqs s ILE 9 Cb -0.14 -4.01 0.09 0.00 0.01 0.00 0.00 42.46 38.41 1iqs s ILE 9 CO 0.07 0.17 0.09 -0.36 0.00 0.00 0.00 174.94 174.90 1iqs s PHE 10 N 1.40 3.55 -0.15 3.97 0.08 0.07 -4.71 117.98 122.19 1iqs s PHE 10 Ca 0.34 -2.48 -0.01 0.00 0.12 0.00 0.00 56.93 54.90 1iqs s PHE 10 Cb -0.17 -2.79 -0.01 0.00 -0.57 0.00 0.00 43.02 39.48 1iqs s PHE 10 CO 0.14 -0.92 -0.11 0.95 -0.10 0.00 0.00 175.22 175.17 1iqs s THR 11 N 1.09 3.12 0.00 0.64 -4.23 -1.26 0.46 115.64 115.46 1iqs s THR 11 Ca 0.05 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1iqs s THR 11 Cb -0.21 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1iqs s THR 11 CO -0.05 0.51 0.00 0.18 -0.54 0.00 0.00 174.62 174.72 1iqs n LEU 12 N 3.76 0.00 0.19 4.79 7.99 0.33 -0.36 117.00 133.70 1iqs n LEU 12 Ca -0.18 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 55.90 1iqs n LEU 12 Cb 0.52 0.00 0.12 0.00 -0.11 0.00 0.00 43.42 43.95 1iqs n LEU 12 CO 0.30 0.00 0.67 0.11 -1.51 0.00 0.00 177.39 176.97 1iqs h LYS 13 N 0.00 0.00 0.00 3.23 1.79 -1.86 -3.10 116.57 116.63 1iqs h LYS 13 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1iqs h LYS 13 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1iqs h LYS 13 CO 0.00 0.21 0.00 -3.47 -1.08 0.00 0.00 179.45 175.11 1iqs n ASP 14 N -3.16 0.00 -0.16 0.86 2.03 -1.08 -4.04 116.55 111.00 1iqs n ASP 14 Ca 0.03 -1.56 0.23 0.00 0.52 0.00 0.00 54.79 54.01 1iqs n ASP 14 Cb 0.61 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.64 1iqs n ASP 14 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1iqs h LEU 15 N 0.00 0.16 -5.19 -2.67 8.10 -0.62 -3.22 115.31 111.88 1iqs h LEU 15 Ca 0.00 0.02 -0.22 0.00 0.11 0.00 0.00 57.88 57.78 1iqs h LEU 15 Cb 0.00 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.20 1iqs h LEU 15 CO 0.00 0.07 1.51 -2.65 -4.11 0.00 0.00 178.44 173.26 1iqs n PRO 16 N -4.39 1.40 -0.48 0.17 -0.02 -1.26 -4.52 135.00 125.90 1iqs n PRO 16 Ca 0.17 -0.97 0.42 0.00 -2.02 0.00 0.00 63.50 61.09 1iqs n PRO 16 Cb 0.76 -2.13 0.68 0.00 -0.02 0.00 0.00 33.50 32.79 1iqs n PRO 16 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1iqs h GLU 17 N 5.93 0.00 0.23 -0.52 -0.00 -1.84 0.85 114.58 119.23 1iqs h GLU 17 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.63 1iqs h GLU 17 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 1iqs h GLU 17 CO 1.01 0.00 -0.11 0.93 -0.00 0.00 0.00 179.01 180.83 1iqs h GLU 18 N 0.00 -0.30 0.00 1.06 5.08 -1.91 -3.50 114.58 115.00 1iqs h GLU 18 Ca 0.73 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1iqs h GLU 18 Cb 3.29 0.07 0.00 0.00 0.50 0.00 0.00 28.75 32.61 1iqs h GLU 18 CO -0.01 -0.20 0.00 1.19 -1.00 0.00 0.00 179.01 178.99 1iqs n PHE 19 N -4.31 0.00 -3.16 4.33 3.72 0.29 -5.14 117.46 113.19 1iqs n PHE 19 Ca -0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.02 1iqs n PHE 19 Cb 0.12 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1iqs n PHE 19 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1iqs s ARG 20 N 0.03 4.11 0.19 -1.08 1.81 -1.26 -4.71 118.95 118.04 1iqs s ARG 20 Ca 0.00 0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 54.43 1iqs s ARG 20 Cb 0.00 -2.70 -0.08 0.00 -0.45 0.00 0.00 34.95 31.72 1iqs s ARG 20 CO 0.00 0.31 1.21 -1.25 -0.68 0.00 0.00 175.30 174.89 1iqs s PRO 21 N -2.40 4.48 -0.12 3.54 0.04 -1.26 -4.79 135.00 134.50 1iqs s PRO 21 Ca 0.47 1.90 0.20 0.00 0.04 0.00 0.00 61.00 63.61 1iqs s PRO 21 Cb -0.14 -3.23 -0.29 0.00 0.04 0.00 0.00 34.50 30.88 1iqs s PRO 21 CO 0.19 -0.10 0.27 0.34 0.04 0.00 0.00 177.00 177.75 1iqs n PHE 22 N 2.44 0.00 -0.02 0.56 -0.00 -1.26 -4.40 117.46 114.78 1iqs n PHE 22 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.54 1iqs n PHE 22 Cb 0.44 -0.75 -0.15 0.00 -0.00 0.00 0.00 39.48 39.02 1iqs n PHE 22 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1iqs n VAL 23 N -2.51 0.49 -0.56 -2.13 0.24 -1.26 -4.36 118.33 108.24 1iqs n VAL 23 Ca -0.19 -0.61 0.43 0.00 -2.04 0.00 0.00 64.34 61.93 1iqs n VAL 23 Cb 0.87 -0.20 0.67 0.00 -1.47 0.00 0.00 33.84 33.71 1iqs n VAL 23 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1iqs n ASP 24 N -2.47 0.04 -0.30 -1.34 -0.08 -1.26 0.24 116.55 111.38 1iqs n ASP 24 Ca -0.11 0.91 -0.03 0.00 -1.51 0.00 0.00 54.79 54.05 1iqs n ASP 24 Cb 0.73 -0.45 0.09 0.00 2.34 0.00 0.00 41.12 43.84 1iqs n ASP 24 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1iqs h TYR 25 N 0.00 1.02 0.00 -0.67 -0.00 -1.86 -1.10 116.97 114.35 1iqs h TYR 25 Ca 0.78 0.03 -0.04 0.00 -0.00 0.00 0.00 58.73 59.50 1iqs h TYR 25 Cb 3.03 -0.34 -0.01 0.00 -0.00 0.00 0.00 36.73 39.41 1iqs h TYR 25 CO -0.00 0.61 -0.18 -0.22 -0.00 0.00 0.00 178.16 178.37 1iqs h LYS 26 N 1.08 0.00 0.00 0.10 3.64 0.29 1.48 116.57 123.15 1iqs h LYS 26 Ca 0.32 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1iqs h LYS 26 Cb -0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1iqs h LYS 26 CO -0.09 0.18 -0.07 0.00 -2.27 0.00 0.00 179.45 177.19 1iqs h ALA 27 N 1.82 0.96 0.00 5.00 0.00 -1.20 -3.27 119.26 122.58 1iqs h ALA 27 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iqs h ALA 27 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1iqs h ALA 27 CO 0.02 0.09 -0.01 0.41 0.00 0.00 0.00 179.25 179.76 1iqs n GLY 28 N 0.92 2.72 0.00 0.00 0.00 -0.53 -2.04 105.19 106.26 1iqs n GLY 28 Ca 0.03 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1iqs n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iqs n LEU 29 N -0.61 0.00 -2.39 0.99 -0.00 0.49 -3.84 117.00 111.65 1iqs n LEU 29 Ca 0.03 0.31 -0.03 0.00 -0.00 0.00 0.00 56.01 56.32 1iqs n LEU 29 Cb 0.35 -0.31 0.01 0.00 -0.00 0.00 0.00 43.42 43.47 1iqs n LEU 29 CO 0.00 -0.18 0.53 1.21 -0.00 0.00 0.00 177.39 178.96 1iqs n GLU 30 N -1.31 0.28 -3.86 1.47 2.13 -1.26 -4.97 120.64 113.12 1iqs n GLU 30 Ca 0.06 -0.64 -0.29 0.00 0.66 0.00 0.00 57.16 56.95 1iqs n GLU 30 Cb 0.11 0.02 0.04 0.00 0.27 0.00 0.00 31.44 31.88 1iqs n GLU 30 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1iqs n LYS 31 N -0.47 -5.95 0.00 5.31 2.85 -1.25 -4.92 118.16 113.73 1iqs n LYS 31 Ca -0.19 0.64 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 1iqs n LYS 31 Cb 0.64 -5.55 0.00 0.00 -0.65 0.00 0.00 35.03 29.47 1iqs n LYS 31 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1iqs n LYS 32 N -4.74 0.00 0.00 -1.58 4.81 -0.86 -4.99 118.16 110.80 1iqs n LYS 32 Ca 0.03 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1iqs n LYS 32 Cb 0.53 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1iqs n LYS 32 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1iqs n LYS 33 N -1.83 0.00 -3.38 1.64 4.76 -0.97 -5.06 118.16 113.32 1iqs n LYS 33 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1iqs n LYS 33 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1iqs n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1iqs n LEU 34 N 0.00 4.03 -4.95 -0.35 4.32 -1.26 -4.84 117.00 113.94 1iqs n LEU 34 Ca 0.00 -5.43 -0.23 0.00 -0.02 0.00 0.00 56.01 50.33 1iqs n LEU 34 Cb 0.00 -0.73 -0.01 0.00 -1.62 0.00 0.00 43.42 41.06 1iqs n LEU 34 CO 0.00 2.02 0.13 -0.44 -1.22 0.00 0.00 177.39 177.88 1iqs s SER 35 N -2.41 6.26 -0.04 -1.43 0.01 -1.26 -4.99 113.70 109.84 1iqs s SER 35 Ca 0.39 0.34 0.06 0.00 1.31 0.00 0.00 55.95 58.05 1iqs s SER 35 Cb 0.14 -1.94 0.26 0.00 0.21 0.00 0.00 66.02 64.69 1iqs s SER 35 CO -0.00 -0.28 1.06 0.47 0.41 0.00 0.00 173.24 174.90 1iqs n ASP 36 N -1.72 2.04 -0.04 2.44 9.92 -1.26 -3.52 116.55 124.40 1iqs n ASP 36 Ca -0.05 -2.17 -0.01 0.00 -0.53 0.00 0.00 54.79 52.03 1iqs n ASP 36 Cb 0.56 -0.38 -0.11 0.00 -0.64 0.00 0.00 41.12 40.56 1iqs n ASP 36 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1iqs n ASP 37 N 0.23 1.58 -3.84 -2.24 -0.08 -1.26 -4.65 116.55 106.29 1iqs n ASP 37 Ca 0.09 0.00 -0.49 0.00 -1.51 0.00 0.00 54.79 52.89 1iqs n ASP 37 Cb 0.41 1.17 -0.06 0.00 2.34 0.00 0.00 41.12 44.98 1iqs n ASP 37 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1iqs n ASP 38 N -2.32 -0.24 -3.69 1.67 -0.08 -1.23 -4.61 116.55 106.05 1iqs n ASP 38 Ca -0.15 0.99 -0.18 0.00 -1.51 0.00 0.00 54.79 53.94 1iqs n ASP 38 Cb 0.73 -0.79 -0.17 0.00 2.34 0.00 0.00 41.12 43.23 1iqs n ASP 38 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1iqs s GLU 39 N -0.19 -0.04 0.11 -0.67 2.02 -1.26 0.12 118.70 118.80 1iqs s GLU 39 Ca 0.73 0.39 0.04 0.00 0.02 0.00 0.00 54.97 56.14 1iqs s GLU 39 Cb -1.02 -0.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 1iqs s GLU 39 CO 0.49 -0.28 -0.10 0.42 0.02 0.00 0.00 175.26 175.80 1iqs s ILE 40 N 1.93 1.00 -0.16 -1.63 1.01 0.17 -1.64 121.20 121.89 1iqs s ILE 40 Ca 0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 60.65 58.79 1iqs s ILE 40 Cb -0.12 -1.57 0.08 0.00 0.01 0.00 0.00 42.46 40.85 1iqs s ILE 40 CO -0.04 -0.66 0.29 0.00 0.00 0.00 0.00 174.94 174.53 1iqs s ALA 41 N -2.88 -0.65 -0.09 9.38 0.00 -1.15 -0.75 121.76 125.62 1iqs s ALA 41 Ca 0.10 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1iqs s ALA 41 Cb -0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1iqs s ALA 41 CO -0.00 -0.80 -0.08 0.42 0.00 0.00 0.00 175.76 175.29 1iqs s ILE 42 N 2.44 3.56 -0.05 0.00 1.01 -1.15 -2.47 121.20 124.56 1iqs s ILE 42 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1iqs s ILE 42 Cb -0.13 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1iqs s ILE 42 CO -0.10 0.57 -0.02 -0.63 0.00 0.00 0.00 174.94 174.75 1iqs s ILE 43 N -0.43 0.42 0.31 2.92 1.01 -1.11 -2.01 121.20 122.32 1iqs s ILE 43 Ca 0.06 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1iqs s ILE 43 Cb -0.12 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1iqs s ILE 43 CO 0.02 0.22 0.15 -0.94 0.00 0.00 0.00 174.94 174.39 1iqs s SER 44 N 1.23 4.92 -0.49 3.58 1.04 -1.05 -1.53 113.70 121.40 1iqs s SER 44 Ca -0.06 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 55.83 1iqs s SER 44 Cb -0.14 -0.92 0.24 0.00 0.10 0.00 0.00 66.02 65.31 1iqs s SER 44 CO -0.02 -0.20 0.89 2.30 0.98 0.00 0.00 173.24 177.19 1iqs n ILE 45 N -1.15 -0.00 -3.06 -1.02 -5.35 -1.26 -2.89 119.36 104.63 1iqs n ILE 45 Ca -0.04 -1.51 -0.16 0.00 -0.27 0.00 0.00 62.75 60.76 1iqs n ILE 45 Cb 0.60 1.48 -0.03 0.00 -1.74 0.00 0.00 39.64 39.95 1iqs n ILE 45 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1iqs n LYS 46 N 1.64 -1.88 -0.93 6.28 0.00 -1.26 -4.70 118.16 117.31 1iqs n LYS 46 Ca 0.09 0.05 -0.28 0.00 0.00 0.00 0.00 58.31 58.17 1iqs n LYS 46 Cb 0.63 -3.99 -0.02 0.00 0.00 0.00 0.00 35.03 31.65 1iqs n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqs n GLY 47 N -0.67 3.45 5.00 3.14 0.00 -1.26 -4.64 105.19 110.20 1iqs n GLY 47 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1iqs n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iqs n THR 48 N 4.10 0.00 0.00 2.61 -1.04 -1.26 -3.49 114.28 115.20 1iqs n THR 48 Ca 0.55 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1iqs n THR 48 Cb 0.17 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1iqs n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iqs n GLN 49 N 0.00 0.00 -0.01 -2.82 6.02 -1.26 -5.17 117.38 114.14 1iqs n GLN 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1iqs n GLN 49 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1iqs n GLN 49 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1iqs n SER 50 N 0.00 0.00 -0.50 1.08 2.88 -1.23 -5.18 113.62 110.67 1iqs n SER 50 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1iqs n SER 50 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iqs n SER 50 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1iqs n ASN 51 N -0.00 0.00 -3.99 -3.46 0.23 -1.26 -4.26 115.26 102.51 1iqs n ASN 51 Ca 0.00 -0.50 -0.31 0.00 -0.53 0.00 0.00 54.58 53.24 1iqs n ASN 51 Cb 0.00 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.55 1iqs n ASN 51 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1iqs s HIS 52 N -5.58 2.80 -0.33 -2.53 3.76 -0.58 -4.98 115.29 107.85 1iqs s HIS 52 Ca 0.00 -2.04 -0.21 0.00 -0.15 0.00 0.00 55.06 52.66 1iqs s HIS 52 Cb 0.00 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.92 1iqs s HIS 52 CO 0.00 -0.83 0.69 0.54 -0.85 0.00 0.00 174.74 174.29 1iqs s VAL 53 N 1.26 4.86 0.21 -0.90 0.11 -1.26 -2.73 120.40 121.94 1iqs s VAL 53 Ca -0.06 0.83 0.08 0.00 -2.93 0.00 0.00 61.98 59.89 1iqs s VAL 53 Cb -0.19 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.53 1iqs s VAL 53 CO -0.06 -0.27 0.04 -0.76 -3.33 0.00 0.00 175.10 170.72 1iqs s LEU 54 N 2.79 3.39 -0.37 2.54 1.43 -1.03 -5.03 118.68 122.40 1iqs s LEU 54 Ca 0.27 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1iqs s LEU 54 Cb -0.14 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.14 1iqs s LEU 54 CO 0.14 0.05 0.17 0.12 0.23 0.00 0.00 176.35 177.05 1iqs s PHE 55 N -1.95 3.30 -1.01 0.29 5.36 -1.26 -2.95 117.98 119.76 1iqs s PHE 55 Ca 0.30 -1.50 -0.23 0.00 -0.96 0.00 0.00 56.93 54.53 1iqs s PHE 55 Cb -0.08 -2.56 0.02 0.00 -0.34 0.00 0.00 43.02 40.05 1iqs s PHE 55 CO 0.20 -0.78 1.64 -0.51 -1.46 0.00 0.00 175.22 174.32 1iqs s LEU 56 N 1.40 3.40 0.02 6.12 1.43 -0.65 -4.85 118.68 125.55 1iqs s LEU 56 Ca 0.01 -1.29 -0.10 0.00 -1.03 0.00 0.00 54.13 51.71 1iqs s LEU 56 Cb -0.21 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1iqs s LEU 56 CO 0.02 -1.93 1.15 0.28 0.23 0.00 0.00 176.35 176.11 1iqs h SER 57 N 10.09 -0.33 -3.18 2.29 0.02 -1.96 -3.39 113.55 117.10 1iqs h SER 57 Ca 0.19 0.02 -0.48 0.00 -0.84 0.00 0.00 61.79 60.68 1iqs h SER 57 Cb 1.00 0.09 -0.40 0.00 0.14 0.00 0.00 62.40 63.23 1iqs h SER 57 CO 1.36 -0.21 -0.76 -0.55 -1.14 0.00 0.00 176.83 175.53 1iqs s SER 58 N -2.61 2.45 -0.24 3.07 0.15 -1.26 -4.91 113.70 110.35 1iqs s SER 58 Ca -0.05 -0.62 -0.05 0.00 0.70 0.00 0.00 55.95 55.93 1iqs s SER 58 Cb 0.01 -0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.90 1iqs s SER 58 CO 0.16 -0.31 0.01 -0.47 1.20 0.00 0.00 173.24 173.82 1iqs s TYR 59 N 2.01 3.03 0.00 3.44 5.04 -1.26 -5.03 117.35 124.57 1iqs s TYR 59 Ca 0.01 -0.86 0.00 0.00 -2.44 0.00 0.00 57.07 53.78 1iqs s TYR 59 Cb -0.16 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1iqs s TYR 59 CO -0.08 -0.52 0.00 0.09 -1.34 0.00 0.00 175.55 173.70 1iqs n ASN 60 N 4.83 0.00 0.00 4.32 4.13 -1.26 -5.07 115.26 122.21 1iqs n ASN 60 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1iqs n ASN 60 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1iqs n ASN 60 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1iqs n SER 61 N -0.16 0.00 -3.86 6.41 3.41 -1.26 -5.17 113.62 112.99 1iqs n SER 61 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1iqs n SER 61 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1iqs n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iqs s VAL 62 N 0.00 0.02 0.34 -3.33 -7.23 -1.26 -5.02 120.40 103.91 1iqs s VAL 62 Ca 0.00 0.02 0.21 0.00 -1.81 0.00 0.00 61.98 60.40 1iqs s VAL 62 Cb 0.00 -0.05 0.33 0.00 0.56 0.00 0.00 36.38 37.23 1iqs s VAL 62 CO 0.00 0.03 1.36 0.47 -0.31 0.00 0.00 175.10 176.65 1iqs n ASP 63 N 3.28 0.27 -0.31 4.85 8.00 -1.26 0.64 116.55 132.03 1iqs n ASP 63 Ca -0.15 1.38 0.10 0.00 0.71 0.00 0.00 54.79 56.83 1iqs n ASP 63 Cb 0.58 -0.68 0.22 0.00 -0.02 0.00 0.00 41.12 41.22 1iqs n ASP 63 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1iqs h GLU 64 N 0.00 0.05 0.14 -1.24 4.81 -1.99 1.00 114.58 117.34 1iqs h GLU 64 Ca 0.74 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.69 1iqs h GLU 64 Cb 2.07 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.45 1iqs h GLU 64 CO -0.60 0.03 -1.31 -0.84 -0.73 0.00 0.00 179.01 175.56 1iqs h ILE 65 N 0.05 1.43 -0.47 2.32 3.07 -0.21 -3.10 117.51 120.60 1iqs h ILE 65 Ca 0.51 -3.00 -0.02 0.00 1.55 0.00 0.00 64.86 63.90 1iqs h ILE 65 Cb 0.96 2.93 -0.02 0.00 -0.27 0.00 0.00 36.82 40.42 1iqs h ILE 65 CO -0.82 0.88 0.20 -0.09 -1.05 0.00 0.00 178.15 177.26 1iqs h ARG 66 N 0.08 0.69 -0.23 0.16 2.43 -0.31 -2.80 114.38 114.40 1iqs h ARG 66 Ca -0.16 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 1iqs h ARG 66 Cb 2.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 1iqs h ARG 66 CO 0.20 0.61 0.08 0.87 -1.51 0.00 0.00 179.97 180.23 1iqs h LYS 67 N 0.61 0.34 -0.22 0.20 1.57 0.75 -2.69 116.57 117.14 1iqs h LYS 67 Ca 0.16 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1iqs h LYS 67 Cb 0.17 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 1iqs h LYS 67 CO -0.02 0.41 -0.51 1.49 -0.57 0.00 0.00 179.45 180.26 1iqs h GLU 68 N 0.20 -0.48 0.00 3.15 4.81 -1.45 -0.38 114.58 120.43 1iqs h GLU 68 Ca 0.07 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1iqs h GLU 68 Cb 0.20 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1iqs h GLU 68 CO -0.00 -0.32 0.00 -0.11 -0.73 0.00 0.00 179.01 177.84 1iqs n LEU 69 N -5.42 0.00 -0.63 1.64 7.94 -1.07 -1.54 117.00 117.92 1iqs n LEU 69 Ca -0.05 0.92 0.48 0.00 -1.11 0.00 0.00 56.01 56.25 1iqs n LEU 69 Cb 0.37 -0.42 0.74 0.00 0.53 0.00 0.00 43.42 44.64 1iqs n LEU 69 CO 0.07 -0.42 1.34 1.21 -1.11 0.00 0.00 177.39 178.48 1iqs n GLU 70 N -2.07 -0.00 -0.08 1.96 2.13 -1.02 0.21 120.64 121.77 1iqs n GLU 70 Ca 0.00 1.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.70 1iqs n GLU 70 Cb 0.00 -2.29 -0.05 0.00 0.27 0.00 0.00 31.44 29.37 1iqs n GLU 70 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1iqs h GLU 71 N 0.00 0.48 -0.36 5.31 5.08 0.01 -2.84 114.58 122.26 1iqs h GLU 71 Ca 0.86 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1iqs h GLU 71 Cb 3.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.63 1iqs h GLU 71 CO -0.05 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 1iqs n ALA 72 N -2.42 2.54 -0.11 3.43 0.00 0.56 -2.23 120.51 122.28 1iqs n ALA 72 Ca -0.05 -0.53 -0.18 0.00 0.00 0.00 0.00 53.44 52.69 1iqs n ALA 72 Cb 0.36 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 1iqs n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqs n GLY 73 N 0.85 -0.57 0.15 0.00 0.00 -0.45 -4.85 105.19 100.31 1iqs n GLY 73 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1iqs n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqs n ALA 74 N -4.21 1.29 -1.95 4.61 0.00 -1.16 -4.74 120.51 114.36 1iqs n ALA 74 Ca -0.31 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1iqs n ALA 74 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1iqs n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iqs n LYS 75 N 0.00 3.51 -1.12 0.00 4.81 -0.95 -5.01 118.16 119.40 1iqs n LYS 75 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 1iqs n LYS 75 Cb 0.55 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.58 1iqs n LYS 75 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1iqs n ILE 76 N 0.00 1.55 -3.59 3.15 5.41 -1.24 -4.89 119.36 119.75 1iqs n ILE 76 Ca 0.00 -0.40 -0.37 0.00 1.00 0.00 0.00 62.75 62.98 1iqs n ILE 76 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1iqs n ILE 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1iqs s ASN 77 N -0.80 6.57 -0.05 4.38 2.20 -1.26 -4.71 114.94 121.26 1iqs s ASN 77 Ca 0.51 0.67 -0.15 0.00 -0.94 0.00 0.00 52.86 52.95 1iqs s ASN 77 Cb -0.74 -2.19 -0.05 0.00 -2.00 0.00 0.00 41.25 36.28 1iqs s ASN 77 CO 0.45 0.24 0.40 -1.00 -2.94 0.00 0.00 177.10 174.25 1iqs s HIS 78 N -0.40 3.64 -0.01 1.54 0.09 -1.26 -4.95 115.29 113.94 1iqs s HIS 78 Ca 0.19 0.90 0.01 0.00 -0.00 0.00 0.00 55.06 56.16 1iqs s HIS 78 Cb -0.14 -2.34 0.02 0.00 -0.00 0.00 0.00 32.58 30.11 1iqs s HIS 78 CO 0.07 0.48 0.73 -2.37 -0.00 0.00 0.00 174.74 173.65 1iqs n THR 79 N 2.50 0.32 -1.30 1.30 5.66 -1.26 -4.77 114.28 116.73 1iqs n THR 79 Ca -0.12 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1iqs n THR 79 Cb 0.52 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 1iqs n THR 79 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1iqs n THR 80 N -0.19 0.00 -2.34 1.09 5.66 -1.26 -4.99 114.28 112.24 1iqs n THR 80 Ca 0.01 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.00 1iqs n THR 80 Cb 0.49 0.79 -0.00 0.00 -1.55 0.00 0.00 70.33 70.06 1iqs n THR 80 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1iqs n LEU 81 N 0.00 -0.02 -0.01 1.09 4.32 -1.26 -4.74 117.00 116.38 1iqs n LEU 81 Ca 0.00 0.41 -0.11 0.00 -0.02 0.00 0.00 56.01 56.29 1iqs n LEU 81 Cb 0.54 -0.91 -0.05 0.00 -1.62 0.00 0.00 43.42 41.38 1iqs n LEU 81 CO 0.00 0.00 0.90 0.11 -1.22 0.00 0.00 177.39 177.18 1iqs h LYS 82 N -0.02 0.16 -0.71 3.23 1.79 -1.98 -2.79 116.57 116.24 1iqs h LYS 82 Ca -0.01 -0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.60 1iqs h LYS 82 Cb 0.91 -0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.41 1iqs h LYS 82 CO 0.02 0.15 0.06 -0.84 -1.08 0.00 0.00 179.45 177.76 1iqs h ILE 83 N 0.12 0.43 -0.25 1.86 3.07 -1.98 0.50 117.51 121.26 1iqs h ILE 83 Ca 0.04 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1iqs h ILE 83 Cb 0.03 0.26 -0.01 0.00 -0.27 0.00 0.00 36.82 36.83 1iqs h ILE 83 CO -0.01 0.03 0.16 -0.07 -1.05 0.00 0.00 178.15 177.22 1iqs h LEU 84 N 0.16 0.29 -0.50 0.16 4.07 -1.81 0.40 115.31 118.07 1iqs h LEU 84 Ca 0.39 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.31 1iqs h LEU 84 Cb 0.68 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 1iqs h LEU 84 CO -0.58 0.22 -0.15 -0.08 -1.08 0.00 0.00 178.44 176.77 1iqs h GLU 85 N 0.35 0.00 0.00 1.13 4.57 0.16 1.33 114.58 122.11 1iqs h GLU 85 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1iqs h GLU 85 Cb -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1iqs h GLU 85 CO -0.02 0.15 -1.68 0.41 -1.18 0.00 0.00 179.01 176.69 1iqs n GLY 86 N 0.73 -1.12 2.72 1.92 0.00 -0.12 -4.60 105.19 104.72 1iqs n GLY 86 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 1iqs n GLY 86 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iqs n HIS 87 N -2.31 -1.07 -1.00 1.61 1.44 0.12 -5.08 115.22 108.94 1iqs n HIS 87 Ca -0.02 -1.90 0.00 0.00 -2.01 0.00 0.00 57.72 53.79 1iqs n HIS 87 Cb 0.55 1.00 0.00 0.00 0.12 0.00 0.00 29.99 31.66 1iqs n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42