#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 0.00 -2.99 1.47 3.72 -1.26 -5.07 117.46 113.33 1iqo n PHE 2 Ca 0.00 -0.28 -0.10 0.00 -0.05 0.00 0.00 57.45 57.02 1iqo n PHE 2 Cb 0.00 -0.06 0.01 0.00 -0.94 0.00 0.00 39.48 38.49 1iqo n PHE 2 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1iqo n ILE 3 N -0.37 -8.41 -2.94 4.37 5.41 -1.26 -4.89 119.36 111.26 1iqo n ILE 3 Ca 0.03 0.98 -0.43 0.00 1.00 0.00 0.00 62.75 64.34 1iqo n ILE 3 Cb 0.58 -5.70 -0.05 0.00 -0.71 0.00 0.00 39.64 33.77 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iqo s ALA 4 N -1.79 3.25 -0.49 -1.39 0.00 -1.26 -5.01 121.76 115.07 1iqo s ALA 4 Ca 0.15 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1iqo s ALA 4 Cb -0.03 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1iqo s ALA 4 CO 0.65 -2.12 1.24 0.95 0.00 0.00 0.00 175.76 176.48 1iqo s THR 5 N 3.46 4.05 -0.54 0.00 -4.23 -1.26 -4.73 115.64 112.39 1iqo s THR 5 Ca 0.28 1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 61.55 1iqo s THR 5 Cb -0.13 -4.53 -0.02 0.00 1.34 0.00 0.00 72.50 69.16 1iqo s THR 5 CO 0.20 -1.05 1.82 -0.22 -0.54 0.00 0.00 174.62 174.84 1iqo s LEU 6 N 4.96 3.35 -0.29 4.79 0.20 0.24 -4.92 118.68 127.01 1iqo s LEU 6 Ca 0.50 0.58 -0.13 0.00 0.69 0.00 0.00 54.13 55.77 1iqo s LEU 6 Cb -0.09 -2.80 -0.04 0.00 -0.43 0.00 0.00 46.19 42.83 1iqo s LEU 6 CO 0.30 -2.18 0.27 -0.75 -0.29 0.00 0.00 176.35 173.70 1iqo s LYS 7 N 6.63 3.85 -0.27 1.98 2.20 -1.26 -2.79 119.74 130.08 1iqo s LYS 7 Ca 0.70 -0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 56.01 1iqo s LYS 7 Cb -0.15 -3.70 0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1iqo s LYS 7 CO 0.24 -0.29 -0.04 0.20 -0.36 0.00 0.00 175.35 175.10 1iqo s GLY 8 N 1.72 1.67 -1.21 5.54 0.00 -1.09 -5.04 107.32 108.91 1iqo s GLY 8 Ca 0.10 -1.59 -0.13 0.00 0.00 0.00 0.00 44.72 43.09 1iqo s GLY 8 CO 0.11 0.59 1.48 1.39 0.00 0.00 0.00 173.10 176.66 1iqo n ILE 9 N 4.63 4.29 -3.11 0.90 5.41 -1.26 -2.60 119.36 127.62 1iqo n ILE 9 Ca -0.15 -4.74 -0.45 0.00 1.00 0.00 0.00 62.75 58.41 1iqo n ILE 9 Cb 0.45 -2.46 -0.02 0.00 -0.71 0.00 0.00 39.64 36.91 1iqo n ILE 9 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1iqo s PHE 10 N 1.22 3.51 0.22 1.39 0.08 -0.55 -4.90 117.98 118.96 1iqo s PHE 10 Ca 0.42 -1.83 0.07 0.00 0.12 0.00 0.00 56.93 55.70 1iqo s PHE 10 Cb -0.02 -4.08 -0.04 0.00 -0.57 0.00 0.00 43.02 38.31 1iqo s PHE 10 CO -0.00 -1.25 0.16 -0.08 -0.10 0.00 0.00 175.22 173.95 1iqo s THR 11 N 1.26 4.40 0.00 0.64 -1.32 -1.25 0.26 115.64 119.64 1iqo s THR 11 Ca 0.29 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1iqo s THR 11 Cb -0.07 -3.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1iqo s THR 11 CO -0.08 -0.27 0.00 0.00 -2.21 0.00 0.00 174.62 172.06 1iqo n LEU 12 N -0.88 0.00 0.29 9.08 -0.00 0.31 0.14 117.00 125.94 1iqo n LEU 12 Ca -0.08 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.12 1iqo n LEU 12 Cb 0.57 0.00 0.98 0.00 -0.00 0.00 0.00 43.42 44.97 1iqo n LEU 12 CO 0.43 0.00 1.16 0.11 -0.00 0.00 0.00 177.39 179.08 1iqo h LYS 13 N 0.00 0.00 -0.62 1.47 1.79 -1.80 0.37 116.57 117.78 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 -3.41 2.10 0.23 0.86 -0.08 -1.09 -4.09 116.55 111.07 1iqo n ASP 14 Ca -0.01 -2.19 0.10 0.00 -1.51 0.00 0.00 54.79 51.18 1iqo n ASP 14 Cb 0.20 -0.41 0.50 0.00 2.34 0.00 0.00 41.12 43.75 1iqo n ASP 14 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1iqo h LEU 15 N 1.38 0.00 -6.26 -2.67 8.10 0.55 -3.37 115.31 113.04 1iqo h LEU 15 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1iqo h LEU 15 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.96 1iqo h LEU 15 CO 0.10 0.22 0.71 -2.65 -4.11 0.00 0.00 178.44 172.71 1iqo n PRO 16 N -3.44 0.00 -2.60 0.17 -0.02 -1.26 -4.31 135.00 123.54 1iqo n PRO 16 Ca -0.00 -0.35 -0.15 0.00 -2.02 0.00 0.00 63.50 60.98 1iqo n PRO 16 Cb 0.40 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1iqo n PRO 16 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iqo n GLU 17 N 4.25 -1.34 -2.18 -0.52 4.07 -1.26 0.97 120.64 124.64 1iqo n GLU 17 Ca 0.00 0.05 -0.07 0.00 -0.06 0.00 0.00 57.16 57.08 1iqo n GLU 17 Cb 0.00 -2.61 -0.01 0.00 -0.06 0.00 0.00 31.44 28.76 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1iqo n GLU 18 N -2.08 -2.23 0.00 5.31 0.00 -1.26 -4.41 120.64 115.97 1iqo n GLU 18 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 57.16 57.57 1iqo n GLU 18 Cb 0.26 -4.83 0.00 0.00 0.00 0.00 0.00 31.44 26.87 1iqo n GLU 18 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1iqo n PHE 19 N -2.68 -0.09 -4.61 4.31 3.72 0.27 -5.13 117.46 113.26 1iqo n PHE 19 Ca -0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 1iqo n PHE 19 Cb 0.49 0.02 -0.15 0.00 -0.94 0.00 0.00 39.48 38.90 1iqo n PHE 19 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1iqo s ARG 20 N -0.04 3.22 -0.24 -1.08 3.00 -1.11 -5.04 118.95 117.67 1iqo s ARG 20 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 55.73 54.69 1iqo s ARG 20 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 34.95 32.32 1iqo s ARG 20 CO 0.00 0.05 1.85 -2.14 0.00 0.00 0.00 175.30 175.06 1iqo s PRO 21 N 0.72 3.51 -0.05 3.54 0.02 -1.26 -4.09 135.00 137.40 1iqo s PRO 21 Ca -0.07 1.74 -0.05 0.00 0.02 0.00 0.00 61.00 62.65 1iqo s PRO 21 Cb -0.16 -4.18 -0.02 0.00 0.02 0.00 0.00 34.50 30.17 1iqo s PRO 21 CO 0.01 -1.65 -0.09 0.34 -0.33 0.00 0.00 177.00 175.29 1iqo n PHE 22 N 9.74 0.00 1.60 6.54 -0.00 -1.26 -4.57 117.46 129.50 1iqo n PHE 22 Ca 0.23 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.83 1iqo n PHE 22 Cb 0.45 -0.13 0.78 0.00 -0.00 0.00 0.00 39.48 40.58 1iqo n PHE 22 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1iqo n VAL 23 N -3.01 0.00 0.27 -2.13 0.24 -1.26 -3.62 118.33 108.82 1iqo n VAL 23 Ca -0.04 -0.02 0.17 0.00 -2.04 0.00 0.00 64.34 62.41 1iqo n VAL 23 Cb 0.14 -0.38 0.93 0.00 -1.47 0.00 0.00 33.84 33.05 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 0.19 0.00 -0.47 -1.34 1.82 -1.93 -0.78 116.42 113.91 1iqo h ASP 24 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1iqo h ASP 24 Cb 0.22 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 1iqo h ASP 24 CO 0.00 0.00 0.02 0.10 -1.61 0.00 0.00 179.24 177.75 1iqo h TYR 25 N 0.00 0.94 0.00 0.28 -0.00 -1.86 -2.04 116.97 114.29 1iqo h TYR 25 Ca 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 58.73 58.60 1iqo h TYR 25 Cb 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 36.73 36.67 1iqo h TYR 25 CO 0.00 0.84 -0.13 1.57 -0.00 0.00 0.00 178.16 180.44 1iqo h LYS 26 N 0.82 0.00 -0.00 0.10 5.09 -1.41 0.44 116.57 121.61 1iqo h LYS 26 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.79 1iqo h LYS 26 Cb 0.46 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.77 1iqo h LYS 26 CO 0.02 0.13 -0.52 0.00 -2.09 0.00 0.00 179.45 176.99 1iqo h ALA 27 N 1.87 1.14 0.00 0.07 0.00 -1.38 -3.24 119.26 117.71 1iqo h ALA 27 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1iqo h ALA 27 Cb 0.31 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1iqo h ALA 27 CO 0.02 0.65 -0.51 0.41 0.00 0.00 0.00 179.25 179.82 1iqo n GLY 28 N -0.03 3.90 0.19 0.00 0.00 -0.65 -3.98 105.19 104.62 1iqo n GLY 28 Ca -0.01 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 0.72 0.00 -4.99 0.99 7.12 -0.19 -3.36 115.31 115.61 1iqo h LEU 29 Ca -0.05 -0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.76 1iqo h LEU 29 Cb 1.21 0.00 -0.28 0.00 -0.53 0.00 0.00 40.66 41.06 1iqo h LEU 29 CO 0.02 0.00 -0.72 1.21 -0.13 0.00 0.00 178.44 178.82 1iqo n GLU 30 N -2.89 1.42 -4.00 1.25 2.13 -1.26 -4.98 120.64 112.30 1iqo n GLU 30 Ca 0.04 -2.35 -0.33 0.00 0.66 0.00 0.00 57.16 55.18 1iqo n GLU 30 Cb 0.51 -0.58 -0.04 0.00 0.27 0.00 0.00 31.44 31.60 1iqo n GLU 30 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1iqo n LYS 31 N -0.93 -2.30 0.02 5.31 2.85 -1.26 -4.75 118.16 117.10 1iqo n LYS 31 Ca -0.05 0.27 0.22 0.00 -1.05 0.00 0.00 58.31 57.70 1iqo n LYS 31 Cb 0.85 -4.92 0.71 0.00 -0.65 0.00 0.00 35.03 31.02 1iqo n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1iqo h LYS 32 N -1.01 0.00 -3.83 -1.58 3.11 -1.90 -3.47 116.57 107.88 1iqo h LYS 32 Ca -0.50 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 1iqo h LYS 32 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1iqo h LYS 32 CO 0.70 0.00 -0.84 1.17 -2.81 0.00 0.00 179.45 177.67 1iqo n LYS 33 N -3.71 -4.82 -3.60 1.90 3.00 -1.26 -5.09 118.16 104.58 1iqo n LYS 33 Ca 0.11 3.48 -0.16 0.00 -0.00 0.00 0.00 58.31 61.73 1iqo n LYS 33 Cb 0.78 -3.72 -0.07 0.00 0.00 0.00 0.00 35.03 32.02 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1iqo s LEU 34 N -0.91 -0.19 0.00 3.14 -0.00 -1.26 -5.08 118.68 114.38 1iqo s LEU 34 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 54.13 54.69 1iqo s LEU 34 Cb 0.00 2.13 0.00 0.00 -0.00 0.00 0.00 46.19 48.32 1iqo s LEU 34 CO 0.00 -0.54 0.00 -0.24 -0.00 0.00 0.00 176.35 175.57 1iqo n SER 35 N 1.12 0.00 -0.43 1.48 2.88 -1.26 -4.97 113.62 112.44 1iqo n SER 35 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1iqo n SER 35 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1iqo n SER 35 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1iqo n ASP 36 N -1.21 0.00 -0.01 -3.46 5.75 -1.26 -4.57 116.55 111.80 1iqo n ASP 36 Ca 0.00 -1.75 0.10 0.00 -0.01 0.00 0.00 54.79 53.14 1iqo n ASP 36 Cb 0.00 -0.15 -0.16 0.00 -1.03 0.00 0.00 41.12 39.78 1iqo n ASP 36 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1iqo n ASP 37 N 0.00 0.32 -4.55 -1.12 9.92 -1.26 -4.62 116.55 115.24 1iqo n ASP 37 Ca 0.00 -0.10 -0.14 0.00 -0.53 0.00 0.00 54.79 54.02 1iqo n ASP 37 Cb 0.65 1.85 -0.09 0.00 -0.64 0.00 0.00 41.12 42.89 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1iqo n ASP 38 N -2.14 1.31 -4.61 -2.24 2.03 -1.26 -4.65 116.55 104.99 1iqo n ASP 38 Ca -0.03 -1.50 -0.38 0.00 0.52 0.00 0.00 54.79 53.40 1iqo n ASP 38 Cb 0.52 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.29 1iqo n ASP 38 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1iqo s GLU 39 N 8.60 4.00 0.14 -0.67 2.12 -1.02 0.12 118.70 131.98 1iqo s GLU 39 Ca 0.95 -0.18 0.11 0.00 0.36 0.00 0.00 54.97 56.20 1iqo s GLU 39 Cb -0.20 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1iqo s GLU 39 CO 0.15 -0.16 -0.25 0.42 -0.54 0.00 0.00 175.26 174.88 1iqo s ILE 40 N 1.70 2.35 -0.23 -3.70 -1.09 0.14 -1.99 121.20 118.38 1iqo s ILE 40 Ca 0.10 -1.77 -0.04 0.00 -2.23 0.00 0.00 60.65 56.71 1iqo s ILE 40 Cb -0.15 -2.06 0.12 0.00 -1.58 0.00 0.00 42.46 38.79 1iqo s ILE 40 CO 0.09 0.06 0.39 0.00 -1.23 0.00 0.00 174.94 174.26 1iqo s ALA 41 N -1.16 -1.13 -0.38 9.38 0.00 -1.15 -1.48 121.76 125.83 1iqo s ALA 41 Ca 0.16 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 1iqo s ALA 41 Cb -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1iqo s ALA 41 CO 0.07 -1.10 0.34 0.42 0.00 0.00 0.00 175.76 175.49 1iqo s ILE 42 N 2.57 5.20 -0.14 0.00 1.01 -1.07 -1.94 121.20 126.82 1iqo s ILE 42 Ca 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 1iqo s ILE 42 Cb -0.14 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1iqo s ILE 42 CO -0.15 -0.22 0.04 -0.63 0.00 0.00 0.00 174.94 173.98 1iqo s ILE 43 N 1.89 4.58 -0.21 2.92 1.01 -0.85 -2.66 121.20 127.88 1iqo s ILE 43 Ca 0.09 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 1iqo s ILE 43 Cb -0.18 -3.01 0.08 0.00 0.01 0.00 0.00 42.46 39.37 1iqo s ILE 43 CO 0.11 0.53 0.48 -0.94 0.00 0.00 0.00 174.94 175.12 1iqo s SER 44 N -0.17 -0.54 0.12 3.58 1.04 -1.12 -2.77 113.70 113.83 1iqo s SER 44 Ca 0.06 1.09 0.09 0.00 0.48 0.00 0.00 55.95 57.67 1iqo s SER 44 Cb -0.12 1.24 -0.18 0.00 0.10 0.00 0.00 66.02 67.06 1iqo s SER 44 CO 0.02 -0.22 1.21 0.40 0.98 0.00 0.00 173.24 175.63 1iqo h ILE 45 N 5.76 1.48 -4.03 -1.02 5.03 -1.82 0.71 117.51 123.61 1iqo h ILE 45 Ca -0.26 -3.16 -0.30 0.00 -0.12 0.00 0.00 64.86 61.02 1iqo h ILE 45 Cb 1.15 2.72 -0.07 0.00 -3.03 0.00 0.00 36.82 37.60 1iqo h ILE 45 CO 0.19 0.84 -0.25 0.29 -0.68 0.00 0.00 178.15 178.54 1iqo n LYS 46 N -3.28 0.79 -0.00 2.37 4.76 -1.26 -4.55 118.16 116.99 1iqo n LYS 46 Ca -0.02 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 1iqo n LYS 46 Cb 0.93 0.97 -0.00 0.00 -1.84 0.00 0.00 35.03 35.08 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iqo n GLY 47 N 0.75 -0.01 0.06 0.72 0.00 -1.25 -4.42 105.19 101.03 1iqo n GLY 47 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.67 0.85 0.00 2.61 5.66 -1.26 -4.83 114.28 115.64 1iqo n THR 48 Ca -0.00 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 1iqo n THR 48 Cb 0.17 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 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 -2.49 0.00 -2.61 1.09 3.00 -1.26 -5.00 117.38 110.10 1iqo n GLN 49 Ca -0.21 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.39 1iqo n GLN 49 Cb 0.89 -0.35 -0.05 0.00 0.00 0.00 0.00 30.24 30.74 1iqo n GLN 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1iqo s SER 50 N -3.50 7.34 -0.30 1.08 0.15 -1.26 -4.98 113.70 112.22 1iqo s SER 50 Ca 0.00 2.08 -0.08 0.00 0.70 0.00 0.00 55.95 58.65 1iqo s SER 50 Cb 0.00 -2.61 0.24 0.00 -1.71 0.00 0.00 66.02 61.94 1iqo s SER 50 CO 0.00 -0.08 1.23 -3.20 1.20 0.00 0.00 173.24 172.40 1iqo n ASN 51 N 1.05 -1.01 -4.47 5.45 5.15 -1.26 -3.92 115.26 116.25 1iqo n ASN 51 Ca -0.00 -0.91 -0.27 0.00 -0.60 0.00 0.00 54.58 52.80 1iqo n ASN 51 Cb 0.47 0.50 -0.11 0.00 -0.53 0.00 0.00 39.78 40.11 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1iqo s HIS 52 N 0.60 2.40 -0.10 1.20 -3.43 -1.12 -5.06 115.29 109.78 1iqo s HIS 52 Ca 0.23 -0.32 -0.00 0.00 -0.80 0.00 0.00 55.06 54.17 1iqo s HIS 52 Cb 0.18 -1.17 0.02 0.00 -1.43 0.00 0.00 32.58 30.18 1iqo s HIS 52 CO -0.09 0.52 -0.07 0.54 -2.00 0.00 0.00 174.74 173.64 1iqo s VAL 53 N -1.75 0.94 0.16 -5.38 0.11 -1.26 -2.01 120.40 111.20 1iqo s VAL 53 Ca 0.23 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1iqo s VAL 53 Cb -0.08 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1iqo s VAL 53 CO 0.12 0.35 0.28 -0.76 -3.33 0.00 0.00 175.10 171.76 1iqo s LEU 54 N 1.56 4.32 -0.05 2.54 1.43 -0.82 -5.00 118.68 122.66 1iqo s LEU 54 Ca 0.02 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1iqo s LEU 54 Cb -0.13 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 1iqo s LEU 54 CO -0.06 0.04 -0.13 0.12 0.23 0.00 0.00 176.35 176.55 1iqo s PHE 55 N -1.76 2.74 -0.09 0.29 5.36 -1.26 -2.95 117.98 120.31 1iqo s PHE 55 Ca 0.34 -0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 56.13 1iqo s PHE 55 Cb -0.11 -1.64 0.04 0.00 -0.34 0.00 0.00 43.02 40.98 1iqo s PHE 55 CO 0.28 0.22 0.22 -0.48 -1.46 0.00 0.00 175.22 174.00 1iqo s LEU 56 N -0.78 0.64 -0.16 6.12 2.34 -0.84 -5.03 118.68 120.97 1iqo s LEU 56 Ca 0.12 0.46 -0.14 0.00 0.06 0.00 0.00 54.13 54.63 1iqo s LEU 56 Cb -0.11 0.66 -0.10 0.00 -0.56 0.00 0.00 46.19 46.08 1iqo s LEU 56 CO 0.01 -0.14 0.04 -1.28 -1.06 0.00 0.00 176.35 173.92 1iqo h SER 57 N 6.91 0.00 -4.31 1.48 0.87 -1.82 -2.71 113.55 113.96 1iqo h SER 57 Ca -0.38 -0.25 -0.50 0.00 -1.23 0.00 0.00 61.79 59.44 1iqo h SER 57 Cb 1.16 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.89 1iqo h SER 57 CO 0.39 1.02 -0.81 -0.55 -0.53 0.00 0.00 176.83 176.35 1iqo s SER 58 N -6.16 2.11 -0.00 6.23 0.15 -1.26 -4.46 113.70 110.31 1iqo s SER 58 Ca -0.19 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 55.87 1iqo s SER 58 Cb 0.03 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1iqo s SER 58 CO 0.36 0.03 -0.03 -0.47 1.20 0.00 0.00 173.24 174.34 1iqo s TYR 59 N -1.08 0.26 0.06 3.44 5.04 -1.26 -5.15 117.35 118.66 1iqo s TYR 59 Ca 0.03 -0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.63 1iqo s TYR 59 Cb -0.09 -0.18 -0.00 0.00 0.35 0.00 0.00 41.96 42.03 1iqo s TYR 59 CO 0.03 -0.01 0.06 0.27 -1.34 0.00 0.00 175.55 174.56 1iqo n ASN 60 N 3.10 -0.16 -4.39 4.32 6.94 -1.26 -5.13 115.26 118.68 1iqo n ASN 60 Ca -0.14 -1.40 -0.41 0.00 -0.02 0.00 0.00 54.58 52.62 1iqo n ASN 60 Cb 0.58 0.35 -0.11 0.00 -2.36 0.00 0.00 39.78 38.25 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1iqo s SER 61 N -1.43 5.81 0.00 0.53 1.04 -1.26 -4.81 113.70 113.59 1iqo s SER 61 Ca 0.07 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1iqo s SER 61 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1iqo s SER 61 CO 0.05 -0.41 0.72 1.33 0.98 0.00 0.00 173.24 175.91 1iqo n VAL 62 N 5.03 0.00 0.00 5.02 0.24 -1.26 -5.04 118.33 122.32 1iqo n VAL 62 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1iqo n VAL 62 Cb 0.46 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1iqo n VAL 62 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1iqo n ASP 63 N 0.00 0.00 -0.30 -1.34 9.92 -1.26 -4.29 116.55 119.28 1iqo n ASP 63 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1iqo n ASP 63 Cb 0.59 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.18 1iqo n ASP 63 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1iqo h GLU 64 N 0.00 0.97 -0.64 -1.24 4.11 -1.96 0.62 114.58 116.43 1iqo h GLU 64 Ca 0.00 -0.06 0.12 0.00 0.07 0.00 0.00 59.36 59.49 1iqo h GLU 64 Cb 0.00 -0.22 -0.09 0.00 0.50 0.00 0.00 28.75 28.95 1iqo h GLU 64 CO 0.00 0.64 0.19 -0.84 0.07 0.00 0.00 179.01 179.07 1iqo h ILE 65 N 1.00 0.67 0.15 -1.06 -0.00 -1.88 0.21 117.51 116.59 1iqo h ILE 65 Ca 0.34 -0.11 -0.30 0.00 -0.00 0.00 0.00 64.86 64.79 1iqo h ILE 65 Cb 0.06 0.31 0.01 0.00 -0.00 0.00 0.00 36.82 37.20 1iqo h ILE 65 CO -0.13 0.06 -1.41 0.08 -0.00 0.00 0.00 178.15 176.74 1iqo h ARG 66 N 0.33 0.31 -0.59 0.16 0.11 -1.71 -3.05 114.38 109.94 1iqo h ARG 66 Ca 0.34 -0.54 0.02 0.00 0.10 0.00 0.00 59.98 59.90 1iqo h ARG 66 Cb 0.49 0.20 -0.03 0.00 1.11 0.00 0.00 29.97 31.74 1iqo h ARG 66 CO -0.39 1.22 0.39 -0.22 0.10 0.00 0.00 179.97 181.08 1iqo h LYS 67 N 0.09 0.74 -0.02 0.08 3.64 0.89 0.57 116.57 122.56 1iqo h LYS 67 Ca -0.20 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 1iqo h LYS 67 Cb 2.03 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 33.69 1iqo h LYS 67 CO 0.20 0.49 -0.60 1.49 -2.27 0.00 0.00 179.45 178.76 1iqo h GLU 68 N 0.76 0.43 0.38 1.90 4.81 -0.69 -2.57 114.58 119.60 1iqo h GLU 68 Ca 0.23 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1iqo h GLU 68 Cb -0.02 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1iqo h GLU 68 CO -0.05 1.10 -0.18 1.25 -0.73 0.00 0.00 179.01 180.39 1iqo h LEU 69 N -0.06 -0.43 -1.36 1.64 5.85 -1.34 0.73 115.31 120.33 1iqo h LEU 69 Ca -0.07 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1iqo h LEU 69 Cb 1.30 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 1iqo h LEU 69 CO 0.12 -0.26 0.49 -0.08 -0.34 0.00 0.00 178.44 178.37 1iqo h GLU 70 N -0.57 0.74 0.00 1.25 4.81 -1.01 -0.94 114.58 118.85 1iqo h GLU 70 Ca -0.05 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1iqo h GLU 70 Cb 0.43 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1iqo h GLU 70 CO 0.09 0.49 -0.85 0.93 -0.73 0.00 0.00 179.01 178.93 1iqo h GLU 71 N 0.76 0.00 -0.03 1.92 5.08 -1.15 -2.94 114.58 118.23 1iqo h GLU 71 Ca 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1iqo h GLU 71 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1iqo h GLU 71 CO -0.11 0.85 -0.00 0.00 -1.00 0.00 0.00 179.01 178.75 1iqo h ALA 72 N 1.15 1.95 0.02 3.43 0.00 0.19 1.03 119.26 127.02 1iqo h ALA 72 Ca -0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1iqo h ALA 72 Cb 1.58 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1iqo h ALA 72 CO 0.11 0.04 -1.74 0.41 0.00 0.00 0.00 179.25 178.07 1iqo n GLY 73 N -1.47 -0.94 2.52 0.00 0.00 -1.08 -4.50 105.19 99.72 1iqo n GLY 73 Ca -0.03 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.61 3.46 -1.00 4.61 0.00 -0.96 -4.64 120.51 119.37 1iqo n ALA 74 Ca -0.19 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.61 1iqo n ALA 74 Cb 1.05 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1iqo n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iqo n LYS 75 N -0.06 -0.92 -0.05 0.00 4.81 0.35 -4.77 118.16 117.52 1iqo n LYS 75 Ca 0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.64 1iqo n LYS 75 Cb 0.68 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.73 1iqo n LYS 75 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1iqo h ILE 76 N -1.46 0.00 0.00 3.15 2.04 -1.99 -3.43 117.51 115.81 1iqo h ILE 76 Ca 0.00 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 64.89 1iqo h ILE 76 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1iqo h ILE 76 CO 0.00 0.00 -1.86 0.59 0.00 0.00 0.00 178.15 176.88 1iqo n ASN 77 N -4.22 1.49 -1.02 1.72 4.13 -1.26 -5.11 115.26 110.98 1iqo n ASN 77 Ca -0.03 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.34 1iqo n ASN 77 Cb 0.10 1.21 -0.03 0.00 -1.54 0.00 0.00 39.78 39.52 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 -2.32 -2.82 -3.09 3.10 -0.00 -1.26 -4.98 115.22 103.85 1iqo n HIS 78 Ca -0.15 0.97 -0.00 0.00 0.46 0.00 0.00 57.72 59.00 1iqo n HIS 78 Cb 0.73 -1.73 -0.00 0.00 -0.12 0.00 0.00 29.99 28.87 1iqo n HIS 78 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1iqo n THR 79 N -2.93 -3.47 0.04 3.57 5.66 -1.26 -4.99 114.28 110.90 1iqo n THR 79 Ca 0.01 0.66 0.00 0.00 -3.05 0.00 0.00 64.05 61.66 1iqo n THR 79 Cb 0.36 -3.52 0.00 0.00 -1.55 0.00 0.00 70.33 65.61 1iqo n THR 79 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1iqo n THR 80 N 1.50 0.69 0.00 1.09 5.66 -1.26 -5.01 114.28 116.95 1iqo n THR 80 Ca -0.02 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1iqo n THR 80 Cb 0.34 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 1iqo n THR 80 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1iqo n LEU 81 N -3.29 0.00 -0.23 1.09 4.77 -1.26 -4.62 117.00 113.46 1iqo n LEU 81 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1iqo n LEU 81 Cb 0.17 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1iqo n LEU 81 CO 0.00 0.00 1.04 0.07 -1.33 0.00 0.00 177.39 177.17 1iqo h LYS 82 N 0.00 0.51 -0.48 3.23 2.10 -2.00 -0.05 116.57 119.89 1iqo h LYS 82 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1iqo h LYS 82 Cb 0.00 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.19 1iqo h LYS 82 CO 0.00 0.34 0.24 -0.84 -2.00 0.00 0.00 179.45 177.19 1iqo h ILE 83 N 0.52 1.16 -0.28 0.07 3.07 -2.01 -1.37 117.51 118.67 1iqo h ILE 83 Ca 0.34 -0.43 -0.08 0.00 1.55 0.00 0.00 64.86 66.25 1iqo h ILE 83 Cb 0.40 0.54 -0.02 0.00 -0.27 0.00 0.00 36.82 37.47 1iqo h ILE 83 CO -0.29 0.18 -0.16 0.25 -1.05 0.00 0.00 178.15 177.08 1iqo h LEU 84 N 0.66 0.48 -1.48 0.16 5.85 -1.41 -1.87 115.31 117.70 1iqo h LEU 84 Ca 0.17 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1iqo h LEU 84 Cb 0.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1iqo h LEU 84 CO -0.02 0.66 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.22 1iqo h GLU 85 N 0.45 0.00 0.05 1.25 3.07 -0.37 0.92 114.58 119.94 1iqo h GLU 85 Ca 0.08 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.71 1iqo h GLU 85 Cb 0.54 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1iqo h GLU 85 CO 0.03 0.18 -1.09 0.78 -1.40 0.00 0.00 179.01 177.51 1iqo h GLY 86 N 1.53 0.11 -3.38 -3.84 0.00 -0.98 -3.36 103.07 93.15 1iqo h GLY 86 Ca -0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 47.33 46.82 1iqo h GLY 86 CO 0.02 0.24 -0.91 -2.39 0.00 0.00 0.00 176.54 173.51 1iqo n HIS 87 N -3.41 0.85 -0.98 5.60 1.44 -1.03 -5.13 115.22 112.56 1iqo n HIS 87 Ca -0.03 -1.48 0.00 0.00 -2.01 0.00 0.00 57.72 54.20 1iqo n HIS 87 Cb 0.97 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 30.85 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42