#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 0.75 -1.58 1.47 3.72 -1.26 -5.05 117.46 115.51 1iqo n PHE 2 Ca 0.00 -2.13 -0.42 0.00 -0.05 0.00 0.00 57.45 54.85 1iqo n PHE 2 Cb 0.00 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.20 1iqo n PHE 2 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1iqo n ILE 3 N -1.17 0.26 -1.66 4.37 0.13 -1.26 -4.87 119.36 115.17 1iqo n ILE 3 Ca -0.16 -0.51 -0.45 0.00 -1.10 0.00 0.00 62.75 60.54 1iqo n ILE 3 Cb 0.55 -2.55 -0.04 0.00 -0.84 0.00 0.00 39.64 36.76 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1iqo n ALA 4 N 12.29 1.31 -3.60 1.51 0.00 -1.26 -4.93 120.51 125.83 1iqo n ALA 4 Ca 0.32 0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.67 1iqo n ALA 4 Cb 0.45 -2.63 -0.10 0.00 0.00 0.00 0.00 19.45 17.16 1iqo n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iqo n THR 5 N 5.69 0.36 -2.44 0.00 -2.24 -1.26 -4.53 114.28 109.85 1iqo n THR 5 Ca 0.23 -4.25 -0.43 0.00 -2.27 0.00 0.00 64.05 57.34 1iqo n THR 5 Cb 0.36 -1.94 -0.02 0.00 -2.10 0.00 0.00 70.33 66.62 1iqo n THR 5 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iqo s LEU 6 N -0.91 4.24 -0.56 3.22 1.02 -1.00 -4.97 118.68 119.72 1iqo s LEU 6 Ca 0.30 1.77 0.05 0.00 0.02 0.00 0.00 54.13 56.28 1iqo s LEU 6 Cb 0.02 -3.55 0.20 0.00 0.02 0.00 0.00 46.19 42.88 1iqo s LEU 6 CO -0.17 -0.66 0.50 0.29 0.02 0.00 0.00 176.35 176.34 1iqo n LYS 7 N 5.76 1.30 -2.05 1.70 5.02 -1.26 -2.37 118.16 126.27 1iqo n LYS 7 Ca 0.12 -3.94 -0.29 0.00 -2.02 0.00 0.00 58.31 52.19 1iqo n LYS 7 Cb 0.46 -1.93 0.04 0.00 -0.02 0.00 0.00 35.03 33.58 1iqo n LYS 7 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iqo s GLY 8 N -1.17 1.62 -0.26 0.72 0.00 -0.70 -4.97 107.32 102.57 1iqo s GLY 8 Ca 0.32 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 1iqo s GLY 8 CO -0.14 -0.12 0.12 -0.42 0.00 0.00 0.00 173.10 172.54 1iqo s ILE 9 N -3.24 -0.04 -0.09 0.90 -1.09 -1.26 -2.73 121.20 113.66 1iqo s ILE 9 Ca 0.57 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 1iqo s ILE 9 Cb -0.11 -0.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.83 1iqo s ILE 9 CO 0.50 -0.61 1.50 0.12 -1.23 0.00 0.00 174.94 175.22 1iqo s PHE 10 N 2.09 2.33 -0.17 3.97 2.19 0.31 -4.93 117.98 123.78 1iqo s PHE 10 Ca 0.07 0.51 -0.01 0.00 0.33 0.00 0.00 56.93 57.83 1iqo s PHE 10 Cb -0.16 -3.76 0.05 0.00 -1.31 0.00 0.00 43.02 37.84 1iqo s PHE 10 CO -0.30 -3.04 -0.02 -0.08 1.83 0.00 0.00 175.22 173.62 1iqo s THR 11 N 3.73 0.88 0.48 0.12 -1.32 -1.26 -1.89 115.64 116.38 1iqo s THR 11 Ca 0.66 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1iqo s THR 11 Cb -0.29 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 1iqo s THR 11 CO 0.24 0.03 0.00 -0.11 -2.21 0.00 0.00 174.62 172.57 1iqo n LEU 12 N 4.94 -1.81 -0.08 9.08 0.00 -1.08 -2.93 117.00 125.12 1iqo n LEU 12 Ca -0.10 2.67 0.26 0.00 0.00 0.00 0.00 56.01 58.84 1iqo n LEU 12 Cb 0.48 -3.03 0.67 0.00 0.00 0.00 0.00 43.42 41.53 1iqo n LEU 12 CO 0.15 0.09 1.23 0.11 0.00 0.00 0.00 177.39 178.97 1iqo h LYS 13 N 1.23 0.00 -0.83 1.96 6.56 -1.84 0.15 116.57 123.81 1iqo h LYS 13 Ca 0.00 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.70 1iqo h LYS 13 Cb 0.23 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.81 1iqo h LYS 13 CO 0.00 0.00 0.45 0.22 -2.06 0.00 0.00 179.45 178.06 1iqo h ASP 14 N 0.00 0.60 -3.22 0.86 3.58 -1.99 -3.35 116.42 112.91 1iqo h ASP 14 Ca 0.36 0.07 -0.75 0.00 0.42 0.00 0.00 57.03 57.12 1iqo h ASP 14 Cb 1.84 -0.04 -0.23 0.00 1.72 0.00 0.00 39.33 42.62 1iqo h ASP 14 CO -0.00 0.31 -0.29 -0.76 -2.88 0.00 0.00 179.24 175.62 1iqo s LEU 15 N -10.31 5.85 -0.38 2.28 2.01 0.54 -4.94 118.68 113.72 1iqo s LEU 15 Ca -0.12 -1.52 -0.01 0.00 0.01 0.00 0.00 54.13 52.49 1iqo s LEU 15 Cb 0.20 -2.19 0.27 0.00 0.01 0.00 0.00 46.19 44.48 1iqo s LEU 15 CO 0.78 -0.73 1.99 -0.81 1.01 0.00 0.00 176.35 178.59 1iqo n PRO 16 N 5.22 1.96 -2.40 1.29 -0.04 -1.26 -4.16 135.00 135.61 1iqo n PRO 16 Ca -0.13 -1.90 -0.13 0.00 -0.04 0.00 0.00 63.50 61.30 1iqo n PRO 16 Cb 0.42 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 1iqo n PRO 16 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iqo n GLU 17 N 0.06 -1.25 0.00 0.54 -0.00 -1.26 -2.63 120.64 116.10 1iqo n GLU 17 Ca 0.36 0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.57 1iqo n GLU 17 Cb 0.63 -2.19 0.00 0.00 -0.00 0.00 0.00 31.44 29.89 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1iqo n GLU 18 N -1.82 0.00 0.04 3.44 4.07 -1.26 -5.01 120.64 120.10 1iqo n GLU 18 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 1iqo n GLU 18 Cb 0.22 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.60 1iqo n GLU 18 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1iqo n PHE 19 N 0.00 -2.07 -4.24 4.31 7.35 -1.08 -5.13 117.46 116.60 1iqo n PHE 19 Ca 0.00 0.28 -0.35 0.00 -0.76 0.00 0.00 57.45 56.62 1iqo n PHE 19 Cb 0.00 0.95 -0.10 0.00 0.35 0.00 0.00 39.48 40.68 1iqo n PHE 19 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1iqo s ARG 20 N -2.00 3.47 -0.37 -4.13 6.06 -1.26 -4.65 118.95 116.08 1iqo s ARG 20 Ca 0.00 -0.40 -0.27 0.00 -2.50 0.00 0.00 55.73 52.56 1iqo s ARG 20 Cb 0.00 -2.97 -0.06 0.00 0.06 0.00 0.00 34.95 31.98 1iqo s ARG 20 CO 0.00 0.47 2.26 -1.25 -2.50 0.00 0.00 175.30 174.28 1iqo s PRO 21 N -0.22 2.64 0.09 5.12 0.04 -1.26 -4.80 135.00 136.61 1iqo s PRO 21 Ca 0.06 1.64 0.21 0.00 0.04 0.00 0.00 61.00 62.95 1iqo s PRO 21 Cb -0.12 -4.46 -0.13 0.00 0.04 0.00 0.00 34.50 29.82 1iqo s PRO 21 CO 0.02 -2.66 0.79 1.19 0.04 0.00 0.00 177.00 176.38 1iqo n PHE 22 N 13.60 0.68 -0.39 0.56 3.72 -1.26 -4.00 117.46 130.36 1iqo n PHE 22 Ca 0.32 0.21 0.12 0.00 -0.05 0.00 0.00 57.45 58.04 1iqo n PHE 22 Cb 0.50 -0.88 0.33 0.00 -0.94 0.00 0.00 39.48 38.49 1iqo n PHE 22 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1iqo n VAL 23 N -2.63 1.06 0.14 -4.37 0.31 -1.26 -4.18 118.33 107.41 1iqo n VAL 23 Ca -0.05 -1.01 0.08 0.00 -0.01 0.00 0.00 64.34 63.34 1iqo n VAL 23 Cb 0.66 0.47 0.05 0.00 -0.91 0.00 0.00 33.84 34.11 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1iqo h ASP 24 N 4.30 0.00 -0.10 4.52 1.82 -1.97 -3.28 116.42 121.72 1iqo h ASP 24 Ca 0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.49 1iqo h ASP 24 Cb 1.03 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 1iqo h ASP 24 CO 0.02 0.22 -0.46 0.10 -1.61 0.00 0.00 179.24 177.51 1iqo h TYR 25 N 0.00 0.79 0.00 0.28 -0.00 -1.82 -2.33 116.97 113.89 1iqo h TYR 25 Ca -0.03 -0.25 -0.09 0.00 -0.00 0.00 0.00 58.73 58.36 1iqo h TYR 25 Cb 1.19 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 37.74 1iqo h TYR 25 CO 0.00 0.99 -0.44 1.57 -0.00 0.00 0.00 178.16 180.27 1iqo h LYS 26 N 0.52 0.00 0.00 0.10 2.10 -1.83 0.76 116.57 118.21 1iqo h LYS 26 Ca 0.03 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.57 1iqo h LYS 26 Cb 0.99 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.31 1iqo h LYS 26 CO 0.09 0.44 -0.51 0.00 -2.00 0.00 0.00 179.45 177.47 1iqo h ALA 27 N 1.56 0.83 0.00 0.07 0.00 -1.57 -3.27 119.26 116.88 1iqo h ALA 27 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1iqo h ALA 27 Cb 0.94 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1iqo h ALA 27 CO 0.06 0.64 -0.34 0.41 0.00 0.00 0.00 179.25 180.01 1iqo n GLY 28 N 0.62 3.92 0.16 0.00 0.00 -0.90 -4.19 105.19 104.81 1iqo n GLY 28 Ca 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.15 1iqo n GLY 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iqo h LEU 29 N 0.43 0.00 -5.01 0.99 7.12 0.48 -3.05 115.31 116.27 1iqo h LEU 29 Ca -0.02 0.00 -0.40 0.00 0.13 0.00 0.00 57.88 57.59 1iqo h LEU 29 Cb 1.15 0.00 -0.40 0.00 -0.53 0.00 0.00 40.66 40.88 1iqo h LEU 29 CO 0.01 0.00 -1.14 -0.62 -0.13 0.00 0.00 178.44 176.56 1iqo n GLU 30 N -2.34 1.43 -4.14 1.25 1.02 -1.26 -4.95 120.64 111.65 1iqo n GLU 30 Ca 0.00 -3.43 -0.34 0.00 -0.02 0.00 0.00 57.16 53.37 1iqo n GLU 30 Cb 0.14 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1iqo n GLU 30 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1iqo n LYS 31 N -0.09 -3.65 -0.49 3.49 2.85 -1.15 -4.82 118.16 114.30 1iqo n LYS 31 Ca 0.14 0.42 0.05 0.00 -1.05 0.00 0.00 58.31 57.87 1iqo n LYS 31 Cb 0.79 -5.13 0.25 0.00 -0.65 0.00 0.00 35.03 30.29 1iqo n LYS 31 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1iqo n LYS 32 N -4.45 3.12 0.00 -1.58 5.02 -1.26 -5.04 118.16 113.97 1iqo n LYS 32 Ca 0.04 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1iqo n LYS 32 Cb 0.51 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1iqo n LYS 32 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1iqo n LYS 33 N 0.56 0.00 -4.77 1.97 2.85 -1.26 -4.76 118.16 112.74 1iqo n LYS 33 Ca 0.18 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.17 1iqo n LYS 33 Cb 0.73 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.94 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1iqo s LEU 34 N 0.00 1.78 0.00 -5.58 2.01 -1.26 -4.17 118.68 111.46 1iqo s LEU 34 Ca 0.00 -0.37 0.04 0.00 0.01 0.00 0.00 54.13 53.81 1iqo s LEU 34 Cb 0.00 -0.99 0.04 0.00 0.01 0.00 0.00 46.19 45.26 1iqo s LEU 34 CO 0.00 0.08 0.36 -1.54 1.01 0.00 0.00 176.35 176.26 1iqo n SER 35 N 3.69 0.91 -0.02 2.29 3.41 -1.26 -5.05 113.62 117.59 1iqo n SER 35 Ca -0.22 -1.67 0.08 0.00 -0.26 0.00 0.00 58.87 56.81 1iqo n SER 35 Cb 0.52 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 1iqo n SER 35 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1iqo n ASP 36 N -2.73 0.75 -1.83 4.04 8.00 -1.26 -4.33 116.55 119.19 1iqo n ASP 36 Ca 0.07 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.55 1iqo n ASP 36 Cb 0.27 1.77 0.29 0.00 -0.02 0.00 0.00 41.12 43.42 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1iqo n ASP 37 N -2.19 4.64 -4.55 -2.24 5.75 -1.26 -4.54 116.55 112.16 1iqo n ASP 37 Ca -0.06 -3.00 -0.36 0.00 -0.01 0.00 0.00 54.79 51.36 1iqo n ASP 37 Cb 0.54 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1iqo s ASP 38 N -0.77 5.22 -0.09 -1.12 2.15 -1.26 -4.78 116.67 116.01 1iqo s ASP 38 Ca 0.48 0.19 0.01 0.00 0.43 0.00 0.00 52.55 53.66 1iqo s ASP 38 Cb 0.38 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.44 1iqo s ASP 38 CO 0.12 -2.46 -0.13 -1.61 -0.17 0.00 0.00 175.17 170.93 1iqo s GLU 39 N 7.08 2.96 -0.02 4.34 0.41 -1.09 -2.65 118.70 129.74 1iqo s GLU 39 Ca 0.69 -0.67 -0.01 0.00 -0.41 0.00 0.00 54.97 54.56 1iqo s GLU 39 Cb -0.12 -2.53 0.01 0.00 -1.78 0.00 0.00 34.13 29.71 1iqo s GLU 39 CO 0.17 0.43 0.05 0.42 -0.49 0.00 0.00 175.26 175.84 1iqo s ILE 40 N -0.22 -0.02 -0.25 -1.63 1.09 -0.79 -0.18 121.20 119.20 1iqo s ILE 40 Ca 0.01 0.06 -0.06 0.00 -1.10 0.00 0.00 60.65 59.56 1iqo s ILE 40 Cb -0.13 -0.08 -0.01 0.00 -1.06 0.00 0.00 42.46 41.17 1iqo s ILE 40 CO 0.03 0.02 0.04 0.00 -0.10 0.00 0.00 174.94 174.93 1iqo s ALA 41 N 0.33 3.04 -0.35 9.38 0.00 -1.10 0.11 121.76 133.16 1iqo s ALA 41 Ca -0.03 -1.23 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1iqo s ALA 41 Cb -0.04 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.09 1iqo s ALA 41 CO -0.01 -0.59 0.22 0.42 0.00 0.00 0.00 175.76 175.80 1iqo s ILE 42 N 1.54 4.98 -0.27 0.00 1.01 -1.10 -1.29 121.20 126.07 1iqo s ILE 42 Ca 0.05 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1iqo s ILE 42 Cb -0.15 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.75 1iqo s ILE 42 CO 0.01 -0.08 -0.09 -0.63 0.00 0.00 0.00 174.94 174.16 1iqo s ILE 43 N 1.66 2.36 0.05 2.92 -1.09 -0.89 -1.71 121.20 124.49 1iqo s ILE 43 Ca 0.05 -1.58 0.09 0.00 -2.23 0.00 0.00 60.65 56.98 1iqo s ILE 43 Cb -0.18 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1iqo s ILE 43 CO 0.09 -0.04 -0.25 -0.94 -1.23 0.00 0.00 174.94 172.56 1iqo s SER 44 N 1.14 3.31 -0.14 3.58 1.04 -1.00 -2.55 113.70 119.08 1iqo s SER 44 Ca -0.08 -0.57 0.19 0.00 0.48 0.00 0.00 55.95 55.97 1iqo s SER 44 Cb -0.20 -0.35 0.45 0.00 0.10 0.00 0.00 66.02 66.02 1iqo s SER 44 CO -0.04 0.25 1.17 -0.38 0.98 0.00 0.00 173.24 175.22 1iqo n ILE 45 N 1.65 1.13 0.01 -1.02 5.41 -0.80 -2.37 119.36 123.37 1iqo n ILE 45 Ca -0.17 -2.34 0.00 0.00 1.00 0.00 0.00 62.75 61.24 1iqo n ILE 45 Cb 0.52 0.48 0.00 0.00 -0.71 0.00 0.00 39.64 39.93 1iqo n ILE 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1iqo n LYS 46 N -0.28 0.00 -0.72 0.38 5.02 -1.24 -4.77 118.16 116.55 1iqo n LYS 46 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1iqo n LYS 46 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.95 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqo n GLY 47 N -1.06 1.21 0.67 0.72 0.00 -1.25 -4.86 105.19 100.62 1iqo n GLY 47 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1iqo n GLY 47 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1iqo n THR 48 N -2.25 0.00 -0.03 2.61 5.66 -1.26 -4.98 114.28 114.02 1iqo n THR 48 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1iqo n THR 48 Cb 0.16 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.91 1iqo n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iqo n GLN 49 N -1.75 0.95 -3.40 1.09 1.13 -1.26 -4.85 117.38 109.29 1iqo n GLN 49 Ca 0.00 0.03 -0.44 0.00 -1.94 0.00 0.00 57.00 54.65 1iqo n GLN 49 Cb 0.00 -1.13 -0.02 0.00 0.11 0.00 0.00 30.24 29.20 1iqo n GLN 49 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1iqo s SER 50 N -4.39 6.98 -0.14 1.08 0.15 -1.26 -5.00 113.70 111.13 1iqo s SER 50 Ca -0.07 -3.47 0.00 0.00 0.70 0.00 0.00 55.95 53.11 1iqo s SER 50 Cb 0.02 -2.15 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 1iqo s SER 50 CO 0.17 -0.31 -0.13 0.20 1.20 0.00 0.00 173.24 174.37 1iqo s ASN 51 N 1.19 2.57 0.04 5.45 -0.87 -1.26 -1.90 114.94 120.16 1iqo s ASN 51 Ca 0.28 -0.45 0.02 0.00 -1.57 0.00 0.00 52.86 51.15 1iqo s ASN 51 Cb -0.10 -1.10 -0.02 0.00 -0.02 0.00 0.00 41.25 40.01 1iqo s ASN 51 CO -0.09 -0.07 -0.08 -1.00 -2.57 0.00 0.00 177.10 173.29 1iqo s HIS 52 N 1.54 0.70 -0.14 2.20 3.76 -1.06 -5.05 115.29 117.25 1iqo s HIS 52 Ca 0.05 -0.45 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 1iqo s HIS 52 Cb -0.13 -0.42 0.06 0.00 1.11 0.00 0.00 32.58 33.21 1iqo s HIS 52 CO -0.10 -0.06 0.29 0.54 -0.85 0.00 0.00 174.74 174.56 1iqo s VAL 53 N -1.24 -0.36 0.47 -0.90 0.11 -1.26 -2.09 120.40 115.12 1iqo s VAL 53 Ca -0.08 0.23 0.08 0.00 -2.93 0.00 0.00 61.98 59.28 1iqo s VAL 53 Cb -0.09 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1iqo s VAL 53 CO 0.01 0.10 0.53 -0.76 -3.33 0.00 0.00 175.10 171.65 1iqo s LEU 54 N 2.19 3.33 -0.16 2.54 1.43 -0.41 -4.99 118.68 122.60 1iqo s LEU 54 Ca -0.02 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1iqo s LEU 54 Cb -0.12 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1iqo s LEU 54 CO -0.09 -0.89 -0.12 0.12 0.23 0.00 0.00 176.35 175.59 1iqo s PHE 55 N -2.51 2.18 -0.24 0.29 5.36 -1.26 -2.72 117.98 119.07 1iqo s PHE 55 Ca 0.52 -1.29 -0.08 0.00 -0.96 0.00 0.00 56.93 55.11 1iqo s PHE 55 Cb -0.06 -1.57 -0.04 0.00 -0.34 0.00 0.00 43.02 41.01 1iqo s PHE 55 CO 0.31 -0.68 0.10 -0.51 -1.46 0.00 0.00 175.22 172.98 1iqo s LEU 56 N 1.48 3.68 -0.21 6.12 1.02 0.74 -4.97 118.68 126.55 1iqo s LEU 56 Ca 0.03 -0.09 -0.16 0.00 0.02 0.00 0.00 54.13 53.93 1iqo s LEU 56 Cb -0.14 -1.98 -0.08 0.00 0.02 0.00 0.00 46.19 44.00 1iqo s LEU 56 CO -0.10 0.01 -0.31 -0.24 0.02 0.00 0.00 176.35 175.73 1iqo n SER 57 N 4.63 1.93 0.00 2.29 2.88 -1.26 -2.65 113.62 121.43 1iqo n SER 57 Ca -0.16 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1iqo n SER 57 Cb 0.52 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1iqo n SER 57 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1iqo n SER 58 N -4.41 0.00 -3.01 -3.46 2.88 -1.26 -4.81 113.62 99.55 1iqo n SER 58 Ca -0.27 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.25 1iqo n SER 58 Cb 0.62 -0.10 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 1iqo n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iqo n TYR 59 N -1.69 -2.81 -0.01 0.66 4.19 -1.26 -4.97 117.16 111.26 1iqo n TYR 59 Ca 0.00 1.06 0.05 0.00 3.31 0.00 0.00 57.90 62.32 1iqo n TYR 59 Cb 0.00 -4.01 -0.10 0.00 0.49 0.00 0.00 39.34 35.72 1iqo n TYR 59 CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 1iqo n ASN 60 N -1.87 1.99 -3.15 2.98 0.23 -1.26 -5.02 115.26 109.17 1iqo n ASN 60 Ca -0.01 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.95 1iqo n ASN 60 Cb 0.51 1.47 0.09 0.00 -2.08 0.00 0.00 39.78 39.77 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1iqo n SER 61 N -2.04 -2.38 0.00 0.53 7.64 -1.26 -5.07 113.62 111.04 1iqo n SER 61 Ca -0.05 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1iqo n SER 61 Cb 0.43 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1iqo n SER 61 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1iqo n VAL 62 N -3.73 0.00 -0.20 0.44 0.24 -1.26 -4.90 118.33 108.92 1iqo n VAL 62 Ca 0.04 0.00 0.30 0.00 -2.04 0.00 0.00 64.34 62.65 1iqo n VAL 62 Cb 0.19 0.00 0.67 0.00 -1.47 0.00 0.00 33.84 33.23 1iqo n VAL 62 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1iqo h ASP 63 N 0.00 0.00 -0.58 -1.34 5.19 -1.99 0.18 116.42 117.89 1iqo h ASP 63 Ca 0.00 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 1iqo h ASP 63 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1iqo h ASP 63 CO 0.00 0.00 0.51 1.05 -3.12 0.00 0.00 179.24 177.68 1iqo h GLU 64 N 0.00 0.00 -0.00 3.56 4.11 -2.02 0.53 114.58 120.76 1iqo h GLU 64 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1iqo h GLU 64 Cb 2.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.46 1iqo h GLU 64 CO -0.00 0.00 -0.37 0.44 0.07 0.00 0.00 179.01 179.14 1iqo n ILE 65 N -3.94 0.00 -0.03 -1.06 -5.35 0.63 -4.40 119.36 105.21 1iqo n ILE 65 Ca 0.11 -0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 62.24 1iqo n ILE 65 Cb 0.74 1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 39.68 1iqo n ILE 65 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1iqo h ARG 66 N 0.72 -0.06 -0.98 6.28 3.08 -0.83 -3.00 114.38 119.59 1iqo h ARG 66 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1iqo h ARG 66 Cb 0.34 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1iqo h ARG 66 CO 0.00 0.15 0.65 1.57 -1.07 0.00 0.00 179.97 181.27 1iqo h LYS 67 N -1.00 1.21 -0.50 0.04 2.10 -1.74 0.34 116.57 117.01 1iqo h LYS 67 Ca -0.01 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 1iqo h LYS 67 Cb 0.24 -0.27 -0.02 0.00 -0.90 0.00 0.00 32.23 31.27 1iqo h LYS 67 CO 0.01 0.80 0.22 1.05 -2.00 0.00 0.00 179.45 179.53 1iqo h GLU 68 N 1.25 0.74 -0.01 0.07 4.11 -1.77 -0.54 114.58 118.43 1iqo h GLU 68 Ca 0.39 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.69 1iqo h GLU 68 Cb -0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1iqo h GLU 68 CO -0.12 0.64 -0.03 1.25 0.07 0.00 0.00 179.01 180.82 1iqo h LEU 69 N 0.67 0.04 -0.39 3.06 5.85 -1.29 -0.11 115.31 123.14 1iqo h LEU 69 Ca 0.17 -0.67 0.08 0.00 0.84 0.00 0.00 57.88 58.30 1iqo h LEU 69 Cb 0.16 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1iqo h LEU 69 CO -0.02 0.70 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.65 1iqo h GLU 70 N -0.62 0.04 -0.12 1.25 4.81 -0.33 -1.15 114.58 118.47 1iqo h GLU 70 Ca -0.00 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1iqo h GLU 70 Cb 0.70 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1iqo h GLU 70 CO 0.01 0.03 -0.54 1.05 -0.73 0.00 0.00 179.01 178.83 1iqo h GLU 71 N 0.05 0.34 -0.43 1.92 4.11 -1.17 -2.87 114.58 116.53 1iqo h GLU 71 Ca 0.19 -0.21 0.12 0.00 0.07 0.00 0.00 59.36 59.54 1iqo h GLU 71 Cb 0.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1iqo h GLU 71 CO -0.37 0.79 0.43 0.00 0.07 0.00 0.00 179.01 179.93 1iqo h ALA 72 N 1.17 2.16 0.01 1.06 0.00 0.26 0.94 119.26 124.86 1iqo h ALA 72 Ca 0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1iqo h ALA 72 Cb 1.03 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1iqo h ALA 72 CO 0.09 -0.65 -1.99 0.41 0.00 0.00 0.00 179.25 177.11 1iqo n GLY 73 N -1.51 -0.96 1.53 0.00 0.00 -1.00 -4.35 105.19 98.90 1iqo n GLY 73 Ca 0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1iqo n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqo n ALA 74 N -2.67 4.72 -3.04 4.61 0.00 -0.13 -4.94 120.51 119.06 1iqo n ALA 74 Ca -0.24 -3.46 -0.22 0.00 0.00 0.00 0.00 53.44 49.51 1iqo n ALA 74 Cb 1.09 -0.63 0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.94 0.64 -3.76 0.00 2.85 0.31 -4.92 118.16 112.34 1iqo n LYS 75 Ca 0.38 -2.83 -0.31 0.00 -1.05 0.00 0.00 58.31 54.51 1iqo n LYS 75 Cb 0.91 -0.22 -0.04 0.00 -0.65 0.00 0.00 35.03 35.03 1iqo n LYS 75 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1iqo s ILE 76 N -2.26 5.24 0.00 0.58 -4.36 -1.26 -4.50 121.20 114.64 1iqo s ILE 76 Ca 0.55 -0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.77 1iqo s ILE 76 Cb -0.04 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 40.02 1iqo s ILE 76 CO 0.35 0.04 0.00 -3.20 0.24 0.00 0.00 174.94 172.37 1iqo n ASN 77 N 0.03 0.00 -0.11 4.36 5.15 -1.26 -4.52 115.26 118.91 1iqo n ASN 77 Ca -0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.93 1iqo n ASN 77 Cb 0.52 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.76 1iqo n ASN 77 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1iqo n HIS 78 N 0.00 0.00 -0.96 1.20 8.25 -1.26 -4.85 115.22 117.60 1iqo n HIS 78 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1iqo n HIS 78 Cb 0.00 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 29.88 1iqo n HIS 78 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1iqo n THR 79 N -2.48 0.00 -3.10 1.59 -1.04 -1.26 -4.86 114.28 103.13 1iqo n THR 79 Ca -0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.04 1iqo n THR 79 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1iqo n THR 79 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1iqo s THR 80 N 0.00 -0.46 0.00 12.58 -1.32 -1.26 -4.97 115.64 120.21 1iqo s THR 80 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1iqo s THR 80 Cb 0.00 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1iqo s THR 80 CO 0.00 0.00 0.00 0.18 -2.21 0.00 0.00 174.62 172.59 1iqo n LEU 81 N 4.91 0.00 0.20 9.08 4.77 -1.26 -4.75 117.00 129.94 1iqo n LEU 81 Ca 0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.89 1iqo n LEU 81 Cb 0.58 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 1iqo n LEU 81 CO -0.12 0.00 0.52 0.50 -1.33 0.00 0.00 177.39 176.96 1iqo h LYS 82 N 0.00 -0.83 -0.71 3.23 3.11 -1.97 0.91 116.57 120.31 1iqo h LYS 82 Ca 0.00 0.06 0.20 0.00 -2.81 0.00 0.00 60.65 58.10 1iqo h LYS 82 Cb 0.00 0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 1iqo h LYS 82 CO 0.00 -0.56 0.51 -0.84 -2.81 0.00 0.00 179.45 175.76 1iqo h ILE 83 N -0.87 0.63 -0.11 2.00 -0.00 -1.93 0.40 117.51 117.62 1iqo h ILE 83 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 64.86 64.73 1iqo h ILE 83 Cb 0.80 0.64 0.00 0.00 -0.00 0.00 0.00 36.82 38.27 1iqo h ILE 83 CO -0.18 0.00 -0.31 0.25 -0.00 0.00 0.00 178.15 177.91 1iqo h LEU 84 N 0.00 0.47 -1.07 0.16 5.85 -1.43 0.63 115.31 119.91 1iqo h LEU 84 Ca 0.34 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1iqo h LEU 84 Cb 1.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1iqo h LEU 84 CO -0.00 0.98 0.00 1.05 -0.34 0.00 0.00 178.44 180.12 1iqo h GLU 85 N -0.02 0.00 0.00 1.25 4.11 0.13 -1.51 114.58 118.54 1iqo h GLU 85 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.14 1iqo h GLU 85 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1iqo h GLU 85 CO 0.07 0.00 -1.92 0.41 0.07 0.00 0.00 179.01 177.64 1iqo n GLY 86 N 0.32 -1.03 2.65 1.06 0.00 0.12 -4.86 105.19 103.44 1iqo n GLY 86 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 1iqo n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iqo n HIS 87 N -2.87 -0.16 0.98 1.61 -0.00 0.22 -5.05 115.22 109.95 1iqo n HIS 87 Ca -0.21 -0.55 0.08 0.00 0.46 0.00 0.00 57.72 57.50 1iqo n HIS 87 Cb 1.03 1.02 0.47 0.00 -0.12 0.00 0.00 29.99 32.39 1iqo n HIS 87 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27