#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqo n PHE 2 N 0.00 -3.73 -1.72 1.96 7.35 -1.26 -5.13 117.46 114.93 1iqo n PHE 2 Ca 0.00 0.92 -0.43 0.00 -0.76 0.00 0.00 57.45 57.18 1iqo n PHE 2 Cb 0.00 2.49 -0.02 0.00 0.35 0.00 0.00 39.48 42.31 1iqo n PHE 2 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1iqo n ILE 3 N -3.23 1.01 -3.91 -2.13 0.13 -1.26 -4.97 119.36 105.00 1iqo n ILE 3 Ca 0.00 -0.25 -0.32 0.00 -1.10 0.00 0.00 62.75 61.07 1iqo n ILE 3 Cb 0.00 -1.82 -0.13 0.00 -0.84 0.00 0.00 39.64 36.84 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1iqo s ALA 4 N -0.03 3.19 0.01 1.51 0.00 -1.26 -5.07 121.76 120.10 1iqo s ALA 4 Ca 0.65 -2.91 0.03 0.00 0.00 0.00 0.00 51.96 49.72 1iqo s ALA 4 Cb -0.54 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1iqo s ALA 4 CO 0.49 -1.89 -0.08 0.95 0.00 0.00 0.00 175.76 175.23 1iqo s THR 5 N 0.37 0.64 -0.22 0.00 -4.23 -1.26 -3.99 115.64 106.95 1iqo s THR 5 Ca 0.14 -0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1iqo s THR 5 Cb -0.22 -0.57 0.06 0.00 1.34 0.00 0.00 72.50 73.11 1iqo s THR 5 CO -0.04 0.07 0.01 -0.22 -0.54 0.00 0.00 174.62 173.90 1iqo s LEU 6 N -0.48 1.74 -0.10 4.79 1.98 -0.68 -5.02 118.68 120.91 1iqo s LEU 6 Ca 0.01 -1.00 -0.04 0.00 -2.89 0.00 0.00 54.13 50.21 1iqo s LEU 6 Cb -0.04 -0.82 -0.04 0.00 0.66 0.00 0.00 46.19 45.95 1iqo s LEU 6 CO -0.00 -0.29 0.07 -0.75 -1.89 0.00 0.00 176.35 173.49 1iqo s LYS 7 N 1.68 3.20 0.00 1.98 2.20 -1.26 -1.27 119.74 126.28 1iqo s LYS 7 Ca -0.02 -0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 1iqo s LYS 7 Cb -0.18 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1iqo s LYS 7 CO -0.08 0.74 0.07 0.20 -0.36 0.00 0.00 175.35 175.92 1iqo s GLY 8 N -0.97 0.10 -0.63 5.54 0.00 -0.77 -5.04 107.32 105.55 1iqo s GLY 8 Ca 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.55 1iqo s GLY 8 CO 0.03 -0.34 0.49 -0.42 0.00 0.00 0.00 173.10 172.86 1iqo s ILE 9 N -1.22 4.26 -0.26 0.90 1.01 -1.26 -2.94 121.20 121.69 1iqo s ILE 9 Ca -0.13 -2.55 -0.21 0.00 0.00 0.00 0.00 60.65 57.76 1iqo s ILE 9 Cb -0.08 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1iqo s ILE 9 CO 0.00 -0.88 0.65 -0.36 0.00 0.00 0.00 174.94 174.35 1iqo s PHE 10 N 0.36 3.27 0.11 3.97 0.40 -0.93 -4.95 117.98 120.21 1iqo s PHE 10 Ca 0.14 0.80 -0.05 0.00 -0.60 0.00 0.00 56.93 57.23 1iqo s PHE 10 Cb -0.19 -2.89 -0.02 0.00 0.51 0.00 0.00 43.02 40.43 1iqo s PHE 10 CO -0.04 -0.36 0.13 0.95 0.70 0.00 0.00 175.22 176.60 1iqo s THR 11 N 2.55 0.13 0.00 0.64 -4.23 -1.26 0.71 115.64 114.19 1iqo s THR 11 Ca 0.27 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1iqo s THR 11 Cb -0.15 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1iqo s THR 11 CO 0.09 -0.60 0.00 0.18 -0.54 0.00 0.00 174.62 173.75 1iqo n LEU 12 N -0.07 0.00 0.22 4.79 4.32 0.97 0.61 117.00 127.85 1iqo n LEU 12 Ca -0.10 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.04 1iqo n LEU 12 Cb 0.63 0.00 0.54 0.00 -1.62 0.00 0.00 43.42 42.96 1iqo n LEU 12 CO 0.26 -0.27 0.93 0.11 -1.22 0.00 0.00 177.39 177.20 1iqo h LYS 13 N 0.00 0.00 -0.60 3.23 1.79 -1.86 -2.49 116.57 116.64 1iqo h LYS 13 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1iqo h LYS 13 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1iqo h LYS 13 CO 0.00 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 174.90 1iqo n ASP 14 N -2.84 2.56 0.16 0.86 2.03 -1.19 -4.33 116.55 113.81 1iqo n ASP 14 Ca 0.02 -2.23 0.09 0.00 0.52 0.00 0.00 54.79 53.18 1iqo n ASP 14 Cb 0.33 -0.42 0.59 0.00 -0.72 0.00 0.00 41.12 40.91 1iqo n ASP 14 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1iqo h LEU 15 N 1.90 0.11 -6.35 -2.67 -0.00 0.65 -3.36 115.31 105.59 1iqo h LEU 15 Ca 0.00 -0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.56 1iqo h LEU 15 Cb 0.85 -0.03 0.06 0.00 -0.00 0.00 0.00 40.66 41.55 1iqo h LEU 15 CO 0.12 0.08 1.41 -2.65 -0.00 0.00 0.00 178.44 177.41 1iqo n PRO 16 N -4.51 0.34 -0.05 0.17 -0.02 -1.26 -4.44 135.00 125.24 1iqo n PRO 16 Ca 0.00 -0.90 -0.01 0.00 -2.02 0.00 0.00 63.50 60.57 1iqo n PRO 16 Cb 0.15 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1iqo n PRO 16 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iqo n GLU 17 N 6.20 0.00 0.00 -0.52 1.02 -1.26 0.17 120.64 126.25 1iqo n GLU 17 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1iqo n GLU 17 Cb 0.20 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1iqo n GLU 18 N 0.25 0.00 -1.74 3.49 2.13 -1.26 -3.30 120.64 120.21 1iqo n GLU 18 Ca 0.02 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.83 1iqo n GLU 18 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 1iqo n GLU 18 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1iqo n PHE 19 N 0.00 -0.71 -3.56 4.31 3.72 0.12 -5.07 117.46 116.28 1iqo n PHE 19 Ca 0.00 -0.63 -0.34 0.00 -0.05 0.00 0.00 57.45 56.43 1iqo n PHE 19 Cb 0.00 0.86 -0.07 0.00 -0.94 0.00 0.00 39.48 39.33 1iqo n PHE 19 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1iqo n ARG 20 N -0.53 2.71 -1.31 -1.08 5.12 -0.57 -4.95 116.66 116.04 1iqo n ARG 20 Ca -0.09 -4.54 -0.29 0.00 -1.93 0.00 0.00 57.85 51.01 1iqo n ARG 20 Cb 0.62 -2.37 -0.08 0.00 -1.16 0.00 0.00 32.46 29.47 1iqo n ARG 20 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1iqo n PRO 21 N 1.80 3.13 0.02 5.56 -0.04 -1.26 -4.22 135.00 139.98 1iqo n PRO 21 Ca 0.24 -1.97 -0.01 0.00 -0.04 0.00 0.00 63.50 61.72 1iqo n PRO 21 Cb 0.37 -2.45 -0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1iqo n PRO 21 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1iqo h PHE 22 N 4.09 -0.05 0.00 0.54 3.57 -1.96 -3.30 116.94 119.82 1iqo h PHE 22 Ca 0.58 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.08 1iqo h PHE 22 Cb 0.74 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1iqo h PHE 22 CO 1.78 -0.03 0.00 1.33 -2.23 0.00 0.00 178.31 179.16 1iqo n VAL 23 N -2.42 1.15 -0.41 1.41 0.24 -1.26 -2.77 118.33 114.26 1iqo n VAL 23 Ca -0.01 0.58 0.39 0.00 -2.04 0.00 0.00 64.34 63.27 1iqo n VAL 23 Cb 0.02 -1.56 0.77 0.00 -1.47 0.00 0.00 33.84 31.60 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1iqo h ASP 24 N 0.00 0.01 -0.42 -1.34 1.82 -1.89 0.84 116.42 115.43 1iqo h ASP 24 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1iqo h ASP 24 Cb 0.08 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1iqo h ASP 24 CO 0.00 -0.00 0.24 0.10 -1.61 0.00 0.00 179.24 177.96 1iqo h TYR 25 N 0.00 0.60 -0.29 0.28 -0.00 -1.74 -1.66 116.97 114.16 1iqo h TYR 25 Ca 0.65 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.73 59.28 1iqo h TYR 25 Cb 2.61 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 39.13 1iqo h TYR 25 CO -0.00 0.43 -0.21 -0.22 -0.00 0.00 0.00 178.16 178.16 1iqo h LYS 26 N 0.63 0.54 0.00 0.10 3.64 0.45 0.89 116.57 122.82 1iqo h LYS 26 Ca 0.16 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1iqo h LYS 26 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1iqo h LYS 26 CO -0.03 0.72 -0.35 0.00 -2.27 0.00 0.00 179.45 177.53 1iqo h ALA 27 N 1.29 1.07 -0.06 5.00 0.00 -1.30 -3.10 119.26 122.16 1iqo h ALA 27 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iqo h ALA 27 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1iqo h ALA 27 CO 0.04 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1iqo n GLY 28 N 0.04 4.37 0.34 0.00 0.00 -0.90 -3.02 105.19 106.03 1iqo n GLY 28 Ca -0.01 -0.92 0.20 0.00 0.00 0.00 0.00 46.02 45.29 1iqo n GLY 28 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1iqo h LEU 29 N 0.40 0.00 -4.10 0.99 -0.00 0.87 -3.34 115.31 110.14 1iqo h LEU 29 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1iqo h LEU 29 Cb 1.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.61 1iqo h LEU 29 CO 0.04 0.00 0.15 1.21 -0.00 0.00 0.00 178.44 179.84 1iqo n GLU 30 N -3.10 0.02 -3.40 0.17 2.13 -1.26 -4.98 120.64 110.21 1iqo n GLU 30 Ca -0.02 -0.29 -0.18 0.00 0.66 0.00 0.00 57.16 57.33 1iqo n GLU 30 Cb 0.19 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.99 1iqo n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iqo n LYS 31 N -0.28 -6.65 0.00 5.31 4.01 -1.25 -5.00 118.16 114.29 1iqo n LYS 31 Ca -0.17 0.78 0.00 0.00 -0.51 0.00 0.00 58.31 58.41 1iqo n LYS 31 Cb 0.56 -5.64 0.00 0.00 -0.51 0.00 0.00 35.03 29.45 1iqo n LYS 31 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1iqo n LYS 32 N -4.21 -0.75 -1.70 1.97 4.81 -1.17 -4.89 118.16 112.21 1iqo n LYS 32 Ca -0.16 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.85 1iqo n LYS 32 Cb 0.62 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.64 1iqo n LYS 32 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1iqo n LYS 33 N -1.29 2.74 -2.84 1.64 5.02 -1.26 -4.91 118.16 117.26 1iqo n LYS 33 Ca 0.00 0.99 -0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1iqo n LYS 33 Cb 0.00 -2.86 0.03 0.00 -0.02 0.00 0.00 35.03 32.18 1iqo n LYS 33 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1iqo n LEU 34 N 4.69 0.42 -2.32 -0.35 4.77 -1.26 -4.82 117.00 118.13 1iqo n LEU 34 Ca 0.17 -4.08 -0.34 0.00 -0.03 0.00 0.00 56.01 51.73 1iqo n LEU 34 Cb 0.35 0.51 0.08 0.00 -2.33 0.00 0.00 43.42 42.04 1iqo n LEU 34 CO 0.65 1.88 1.44 -1.20 -1.33 0.00 0.00 177.39 178.83 1iqo n SER 35 N 0.01 7.50 -1.74 -1.43 7.64 -1.26 -4.84 113.62 119.51 1iqo n SER 35 Ca 0.12 -3.78 -0.17 0.00 1.01 0.00 0.00 58.87 56.04 1iqo n SER 35 Cb 0.76 -0.97 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 1iqo n SER 35 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1iqo n ASP 36 N -0.93 -4.74 -0.63 6.43 9.92 -1.26 -4.78 116.55 120.56 1iqo n ASP 36 Ca 0.63 0.34 0.05 0.00 -0.53 0.00 0.00 54.79 55.28 1iqo n ASP 36 Cb 0.71 -4.18 0.10 0.00 -0.64 0.00 0.00 41.12 37.11 1iqo n ASP 36 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1iqo n ASP 37 N -1.23 1.33 -4.57 -2.24 9.92 -1.26 -4.53 116.55 113.98 1iqo n ASP 37 Ca -0.18 -2.81 -0.37 0.00 -0.53 0.00 0.00 54.79 50.90 1iqo n ASP 37 Cb 0.60 -0.37 -0.03 0.00 -0.64 0.00 0.00 41.12 40.67 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1iqo s ASP 38 N -2.34 6.12 -0.22 -2.24 2.15 -1.26 -4.73 116.67 114.16 1iqo s ASP 38 Ca 0.26 -1.52 -0.13 0.00 0.43 0.00 0.00 52.55 51.59 1iqo s ASP 38 Cb 0.26 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 40.26 1iqo s ASP 38 CO -0.05 -1.87 0.26 -1.83 -0.17 0.00 0.00 175.17 171.51 1iqo s GLU 39 N 5.41 4.13 -0.06 4.34 -1.05 -1.26 -0.02 118.70 130.19 1iqo s GLU 39 Ca 0.55 -0.07 -0.03 0.00 -0.15 0.00 0.00 54.97 55.28 1iqo s GLU 39 Cb -0.01 -3.53 0.04 0.00 -0.44 0.00 0.00 34.13 30.20 1iqo s GLU 39 CO -0.02 0.05 0.14 0.42 0.95 0.00 0.00 175.26 176.79 1iqo s ILE 40 N 1.08 -0.06 -0.20 1.83 1.09 0.22 -2.74 121.20 122.43 1iqo s ILE 40 Ca 0.12 0.19 -0.18 0.00 -1.10 0.00 0.00 60.65 59.68 1iqo s ILE 40 Cb -0.14 -0.23 -0.03 0.00 -1.06 0.00 0.00 42.46 41.00 1iqo s ILE 40 CO 0.05 0.08 0.52 0.00 -0.10 0.00 0.00 174.94 175.49 1iqo s ALA 41 N 1.21 3.55 -0.18 9.38 0.00 -0.32 -2.19 121.76 133.20 1iqo s ALA 41 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1iqo s ALA 41 Cb -0.12 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1iqo s ALA 41 CO -0.06 -0.46 -0.18 0.42 0.00 0.00 0.00 175.76 175.49 1iqo s ILE 42 N 1.67 2.26 -0.09 0.00 1.01 -1.15 -1.40 121.20 123.50 1iqo s ILE 42 Ca 0.24 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1iqo s ILE 42 Cb -0.15 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1iqo s ILE 42 CO 0.10 0.52 -0.13 -0.63 0.00 0.00 0.00 174.94 174.80 1iqo s ILE 43 N 1.25 1.27 -0.23 2.92 1.01 -1.14 -1.85 121.20 124.42 1iqo s ILE 43 Ca 0.04 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 1iqo s ILE 43 Cb -0.13 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1iqo s ILE 43 CO -0.10 0.39 0.04 -0.94 0.00 0.00 0.00 174.94 174.33 1iqo s SER 44 N 0.89 5.02 0.52 3.58 1.04 -0.39 -2.86 113.70 121.51 1iqo s SER 44 Ca -0.10 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1iqo s SER 44 Cb -0.15 -1.89 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 1iqo s SER 44 CO 0.01 0.00 0.00 0.27 0.98 0.00 0.00 173.24 174.50 1iqo s ILE 45 N 1.39 1.06 -0.80 -1.02 -4.36 -1.25 -1.68 121.20 114.53 1iqo s ILE 45 Ca 0.05 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.30 1iqo s ILE 45 Cb -0.15 -2.07 -0.11 0.00 1.25 0.00 0.00 42.46 41.39 1iqo s ILE 45 CO 0.02 0.00 1.97 2.29 0.24 0.00 0.00 174.94 179.47 1iqo n LYS 46 N -1.29 1.70 -2.14 0.37 -0.00 -1.26 -4.43 118.16 111.12 1iqo n LYS 46 Ca -0.21 -1.62 -0.36 0.00 -0.00 0.00 0.00 58.31 56.13 1iqo n LYS 46 Cb 0.67 -2.67 0.03 0.00 -0.00 0.00 0.00 35.03 33.06 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqo n GLY 47 N 4.17 5.69 3.34 2.58 0.00 -1.26 -4.83 105.19 114.87 1iqo n GLY 47 Ca 0.45 -2.57 -0.19 0.00 0.00 0.00 0.00 46.02 43.71 1iqo n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iqo n THR 48 N -0.49 -3.82 -2.60 2.61 -1.04 -1.26 -3.66 114.28 104.03 1iqo n THR 48 Ca 0.49 -0.18 -0.03 0.00 -2.04 0.00 0.00 64.05 62.29 1iqo n THR 48 Cb 0.35 -4.18 0.01 0.00 -1.82 0.00 0.00 70.33 64.70 1iqo n THR 48 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1iqo n GLN 49 N -4.32 -1.06 -2.33 -2.82 -0.06 -1.26 -5.05 117.38 100.47 1iqo n GLN 49 Ca -0.10 1.03 -0.03 0.00 -2.00 0.00 0.00 57.00 55.90 1iqo n GLN 49 Cb 0.59 -4.42 0.01 0.00 -4.06 0.00 0.00 30.24 22.37 1iqo n GLN 49 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1iqo n SER 50 N -1.82 -0.88 -2.56 1.69 7.64 -1.24 -5.17 113.62 111.27 1iqo n SER 50 Ca -0.01 -1.55 -0.08 0.00 1.01 0.00 0.00 58.87 58.23 1iqo n SER 50 Cb 0.52 1.45 0.02 0.00 -1.01 0.00 0.00 64.21 65.20 1iqo n SER 50 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1iqo n ASN 51 N -1.07 -1.89 -4.02 6.43 0.23 -1.26 -3.88 115.26 109.80 1iqo n ASN 51 Ca -0.02 -2.41 -0.08 0.00 -0.53 0.00 0.00 54.58 51.54 1iqo n ASN 51 Cb 0.25 3.18 -0.09 0.00 -2.08 0.00 0.00 39.78 41.05 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1iqo s HIS 52 N -3.12 0.41 0.39 -2.53 -3.43 -1.13 -5.03 115.29 100.85 1iqo s HIS 52 Ca 0.15 -0.92 0.08 0.00 -0.80 0.00 0.00 55.06 53.57 1iqo s HIS 52 Cb -0.04 -0.28 -0.05 0.00 -1.43 0.00 0.00 32.58 30.78 1iqo s HIS 52 CO 0.11 -0.44 0.13 0.14 -2.00 0.00 0.00 174.74 172.68 1iqo s VAL 53 N -3.91 2.47 -0.26 -5.38 -7.23 -1.26 -2.89 120.40 101.94 1iqo s VAL 53 Ca 0.07 -1.76 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 1iqo s VAL 53 Cb 0.07 -2.96 0.14 0.00 0.56 0.00 0.00 36.38 34.20 1iqo s VAL 53 CO -0.10 -0.07 0.52 -0.22 -0.31 0.00 0.00 175.10 174.92 1iqo s LEU 54 N -3.85 -0.99 0.13 1.32 1.98 -0.49 -5.00 118.68 111.78 1iqo s LEU 54 Ca 0.39 0.88 -0.30 0.00 -2.89 0.00 0.00 54.13 52.21 1iqo s LEU 54 Cb 0.02 1.76 -0.07 0.00 0.66 0.00 0.00 46.19 48.56 1iqo s LEU 54 CO 0.22 -0.26 1.27 0.12 -1.89 0.00 0.00 176.35 175.81 1iqo s PHE 55 N 2.74 3.35 -0.07 5.38 5.36 -1.26 -1.18 117.98 132.30 1iqo s PHE 55 Ca 0.09 1.22 0.04 0.00 -0.96 0.00 0.00 56.93 57.32 1iqo s PHE 55 Cb -0.14 -3.53 -0.02 0.00 -0.34 0.00 0.00 43.02 39.00 1iqo s PHE 55 CO -0.18 -1.67 -0.20 -0.51 -1.46 0.00 0.00 175.22 171.21 1iqo s LEU 56 N 0.52 2.36 -0.22 6.12 1.02 -1.11 -4.78 118.68 122.59 1iqo s LEU 56 Ca 0.58 -0.40 0.11 0.00 0.02 0.00 0.00 54.13 54.45 1iqo s LEU 56 Cb -0.34 -1.46 -0.22 0.00 0.02 0.00 0.00 46.19 44.19 1iqo s LEU 56 CO 0.33 0.26 -0.03 -1.20 0.02 0.00 0.00 176.35 175.72 1iqo n SER 57 N 2.90 0.80 -3.30 2.29 7.64 -1.26 -4.58 113.62 118.11 1iqo n SER 57 Ca -0.17 -0.04 0.03 0.00 1.01 0.00 0.00 58.87 59.69 1iqo n SER 57 Cb 0.52 0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 64.11 1iqo n SER 57 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1iqo s SER 58 N -5.92 -0.89 -0.06 6.43 0.15 -1.26 -5.03 113.70 107.13 1iqo s SER 58 Ca -0.20 0.82 0.10 0.00 0.70 0.00 0.00 55.95 57.37 1iqo s SER 58 Cb 0.07 1.85 -0.15 0.00 -1.71 0.00 0.00 66.02 66.09 1iqo s SER 58 CO 0.74 -0.17 0.14 0.00 1.20 0.00 0.00 173.24 175.15 1iqo n TYR 59 N 5.32 0.00 -2.23 3.44 9.36 -1.26 -4.92 117.16 126.88 1iqo n TYR 59 Ca -0.07 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.75 1iqo n TYR 59 Cb 0.52 -0.37 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 1iqo n TYR 59 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1iqo s ASN 60 N -3.72 5.76 0.00 2.98 4.22 -1.26 -4.44 114.94 118.48 1iqo s ASN 60 Ca -0.04 0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.01 1iqo s ASN 60 Cb 0.05 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.04 1iqo s ASN 60 CO 0.43 -1.99 0.00 -0.24 -2.04 0.00 0.00 177.10 173.26 1iqo n SER 61 N 10.90 0.00 -3.23 3.54 2.88 -1.26 -5.17 113.62 121.27 1iqo n SER 61 Ca 0.16 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.64 1iqo n SER 61 Cb 0.50 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.98 1iqo n SER 61 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iqo s VAL 62 N 0.00 0.00 0.60 2.46 0.11 -1.26 -5.00 120.40 117.30 1iqo s VAL 62 Ca 0.00 -0.82 0.30 0.00 -2.93 0.00 0.00 61.98 58.53 1iqo s VAL 62 Cb 0.00 -2.74 0.43 0.00 -1.53 0.00 0.00 36.38 32.54 1iqo s VAL 62 CO 0.00 0.00 1.47 -0.78 -3.33 0.00 0.00 175.10 172.46 1iqo h ASP 63 N 2.00 0.00 -1.63 3.54 3.58 -1.98 -0.95 116.42 120.98 1iqo h ASP 63 Ca -0.29 0.00 0.49 0.00 0.42 0.00 0.00 57.03 57.66 1iqo h ASP 63 Cb 1.24 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.19 1iqo h ASP 63 CO 0.36 0.00 1.13 -0.08 -2.88 0.00 0.00 179.24 177.77 1iqo h GLU 64 N 0.00 0.03 0.00 0.28 4.22 -1.97 0.33 114.58 117.47 1iqo h GLU 64 Ca 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.91 1iqo h GLU 64 Cb 2.63 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.87 1iqo h GLU 64 CO -0.01 0.02 -1.49 0.44 -2.18 0.00 0.00 179.01 175.80 1iqo n ILE 65 N -4.27 0.04 0.07 2.32 -0.00 -0.36 -4.13 119.36 113.02 1iqo n ILE 65 Ca 0.40 -0.25 -0.12 0.00 -0.00 0.00 0.00 62.75 62.78 1iqo n ILE 65 Cb 1.70 0.20 -0.06 0.00 -0.00 0.00 0.00 39.64 41.49 1iqo n ILE 65 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1iqo h ARG 66 N 0.00 -0.18 0.01 6.28 2.43 -0.39 0.19 114.38 122.72 1iqo h ARG 66 Ca -0.02 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1iqo h ARG 66 Cb 0.55 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1iqo h ARG 66 CO 0.00 -0.12 -0.88 -0.22 -1.51 0.00 0.00 179.97 177.24 1iqo h LYS 67 N -0.19 0.11 -0.49 0.20 3.64 -1.65 -2.46 116.57 115.73 1iqo h LYS 67 Ca 0.03 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1iqo h LYS 67 Cb 0.21 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1iqo h LYS 67 CO -0.07 0.92 0.03 1.49 -2.27 0.00 0.00 179.45 179.54 1iqo h GLU 68 N 0.06 0.79 0.17 1.90 4.81 -1.64 -2.23 114.58 118.43 1iqo h GLU 68 Ca -0.03 -0.20 -0.31 0.00 -0.13 0.00 0.00 59.36 58.69 1iqo h GLU 68 Cb 1.53 -0.10 0.03 0.00 0.63 0.00 0.00 28.75 30.84 1iqo h GLU 68 CO 0.13 0.78 -1.32 1.25 -0.73 0.00 0.00 179.01 179.12 1iqo h LEU 69 N 0.74 0.79 -0.69 1.64 5.85 -0.63 -2.48 115.31 120.54 1iqo h LEU 69 Ca 0.15 -0.78 0.07 0.00 0.84 0.00 0.00 57.88 58.16 1iqo h LEU 69 Cb 0.42 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1iqo h LEU 69 CO 0.01 1.60 0.38 -0.33 -0.34 0.00 0.00 178.44 179.76 1iqo h GLU 70 N 0.20 0.66 -0.13 1.25 4.39 -1.29 -0.62 114.58 119.03 1iqo h GLU 70 Ca -0.20 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 1iqo h GLU 70 Cb 2.00 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1iqo h GLU 70 CO 0.25 0.43 -0.21 0.93 -1.16 0.00 0.00 179.01 179.25 1iqo h GLU 71 N 0.68 0.38 -0.21 2.33 5.08 -1.48 -2.91 114.58 118.45 1iqo h GLU 71 Ca 0.32 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1iqo h GLU 71 Cb 0.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1iqo h GLU 71 CO -0.21 0.81 0.29 0.00 -1.00 0.00 0.00 179.01 178.91 1iqo h ALA 72 N 0.56 1.77 0.17 3.43 0.00 -0.94 0.38 119.26 124.64 1iqo h ALA 72 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1iqo h ALA 72 Cb 0.78 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1iqo h ALA 72 CO 0.05 -0.40 -1.46 0.78 0.00 0.00 0.00 179.25 178.22 1iqo h GLY 73 N 0.00 0.41 -5.00 0.00 0.00 -0.95 -3.43 103.07 94.10 1iqo h GLY 73 Ca 0.10 -1.04 -0.18 0.00 0.00 0.00 0.00 47.33 46.21 1iqo h GLY 73 CO -0.00 0.91 -0.44 0.00 0.00 0.00 0.00 176.54 177.01 1iqo n ALA 74 N -2.66 -1.79 -2.87 3.60 0.00 -0.24 -4.87 120.51 111.67 1iqo n ALA 74 Ca -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1iqo n ALA 74 Cb 1.06 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1iqo n ALA 74 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1iqo n LYS 75 N 1.97 1.25 -0.01 0.00 2.85 0.12 -4.81 118.16 119.53 1iqo n LYS 75 Ca 0.11 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.16 1iqo n LYS 75 Cb 0.62 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.87 1iqo n LYS 75 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 1iqo h ILE 76 N -0.00 1.06 0.00 0.58 6.09 -2.01 -3.45 117.51 119.78 1iqo h ILE 76 Ca 0.00 -2.37 0.00 0.00 -1.37 0.00 0.00 64.86 61.12 1iqo h ILE 76 Cb 0.00 2.69 0.00 0.00 0.47 0.00 0.00 36.82 39.98 1iqo h ILE 76 CO 0.00 0.65 0.00 0.59 -3.07 0.00 0.00 178.15 176.32 1iqo n ASN 77 N -4.02 0.00 -1.29 2.19 4.13 -1.26 -5.07 115.26 109.94 1iqo n ASN 77 Ca -0.25 0.00 0.17 0.00 1.68 0.00 0.00 54.58 56.18 1iqo n ASN 77 Cb 0.85 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 39.04 1iqo n ASN 77 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1iqo n HIS 78 N -0.14 -3.21 -2.53 3.10 -0.00 -1.26 -4.82 115.22 106.37 1iqo n HIS 78 Ca 0.00 1.64 -0.19 0.00 0.46 0.00 0.00 57.72 59.63 1iqo n HIS 78 Cb 0.00 -2.92 -0.00 0.00 -0.12 0.00 0.00 29.99 26.95 1iqo n HIS 78 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1iqo n THR 79 N -3.87 -1.03 -0.08 3.57 -1.04 -1.26 -4.85 114.28 105.72 1iqo n THR 79 Ca -0.01 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.95 1iqo n THR 79 Cb 0.65 -2.71 -0.16 0.00 -1.82 0.00 0.00 70.33 66.30 1iqo n THR 79 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1iqo n THR 80 N -3.93 1.03 -0.89 12.58 5.66 -1.26 -4.99 114.28 122.48 1iqo n THR 80 Ca -0.20 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.06 1iqo n THR 80 Cb 0.66 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 1iqo n THR 80 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1iqo n LEU 81 N -2.61 0.13 -0.02 1.09 7.94 -1.26 -4.89 117.00 117.39 1iqo n LEU 81 Ca -0.25 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.64 1iqo n LEU 81 Cb 1.00 -0.20 -0.00 0.00 0.53 0.00 0.00 43.42 44.74 1iqo n LEU 81 CO 0.42 -0.07 0.03 0.50 -1.11 0.00 0.00 177.39 177.16 1iqo h LYS 82 N 2.55 -0.06 -0.52 1.96 1.63 -1.99 -2.82 116.57 117.33 1iqo h LYS 82 Ca 0.00 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.95 1iqo h LYS 82 Cb 0.00 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1iqo h LYS 82 CO 0.00 -0.04 0.37 -0.84 -3.45 0.00 0.00 179.45 175.49 1iqo h ILE 83 N -0.84 0.73 -0.31 2.00 3.07 -2.00 0.26 117.51 120.42 1iqo h ILE 83 Ca -0.01 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.27 1iqo h ILE 83 Cb 0.05 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 37.33 1iqo h ILE 83 CO 0.01 0.00 -0.34 -0.07 -1.05 0.00 0.00 178.15 176.70 1iqo h LEU 84 N 0.00 0.71 -1.43 0.16 3.38 -1.96 -2.59 115.31 113.57 1iqo h LEU 84 Ca 0.24 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1iqo h LEU 84 Cb 0.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1iqo h LEU 84 CO -0.00 0.99 -0.28 -0.33 0.09 0.00 0.00 178.44 178.90 1iqo h GLU 85 N 0.57 0.00 0.00 1.13 3.07 -0.22 0.66 114.58 119.79 1iqo h GLU 85 Ca 0.06 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.79 1iqo h GLU 85 Cb 0.85 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 1iqo h GLU 85 CO 0.07 0.28 -0.61 0.78 -1.40 0.00 0.00 179.01 178.13 1iqo h GLY 86 N 0.87 0.00 0.00 -3.84 0.00 -1.10 -3.35 103.07 95.64 1iqo h GLY 86 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1iqo h GLY 86 CO 0.04 0.00 -1.57 1.57 0.00 0.00 0.00 176.54 176.58 1iqo n HIS 87 N -3.41 0.59 1.61 5.60 -0.00 -0.92 -5.12 115.22 113.56 1iqo n HIS 87 Ca 0.00 0.25 0.13 0.00 0.46 0.00 0.00 57.72 58.57 1iqo n HIS 87 Cb 0.71 -0.97 0.76 0.00 -0.12 0.00 0.00 29.99 30.37 1iqo n HIS 87 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08