#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ib7 s LYS 5 N 0.00 3.41 -0.29 1.45 2.47 -1.26 -4.98 119.74 120.54 1ib7 s LYS 5 Ca 0.00 -0.61 -0.11 0.00 -1.56 0.00 0.00 55.97 53.69 1ib7 s LYS 5 Cb 0.00 -3.02 -0.04 0.00 -1.46 0.00 0.00 37.83 33.31 1ib7 s LYS 5 CO 0.00 -0.16 0.18 0.71 0.16 0.00 0.00 175.35 176.24 1ib7 s TYR 6 N 1.40 3.20 0.26 4.03 2.02 -1.23 0.19 117.35 127.22 1ib7 s TYR 6 Ca 0.05 -0.04 0.08 0.00 -0.37 0.00 0.00 57.07 56.78 1ib7 s TYR 6 Cb -0.14 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 1ib7 s TYR 6 CO -0.02 -0.24 0.16 0.71 -1.57 0.00 0.00 175.55 174.59 1ib7 s TYR 7 N 1.73 3.02 0.17 2.71 2.02 -0.35 -4.74 117.35 121.92 1ib7 s TYR 7 Ca 0.07 -0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.50 1ib7 s TYR 7 Cb -0.16 -1.36 -0.07 0.00 -0.40 0.00 0.00 41.96 39.96 1ib7 s TYR 7 CO 0.10 0.54 0.55 0.95 -1.57 0.00 0.00 175.55 176.11 1ib7 s THR 8 N -2.18 4.88 0.66 -0.71 -4.23 -1.26 0.21 115.64 113.01 1ib7 s THR 8 Ca 0.33 0.73 0.26 0.00 -1.18 0.00 0.00 61.69 61.82 1ib7 s THR 8 Cb -0.07 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1ib7 s THR 8 CO 0.24 0.16 1.79 0.17 -0.54 0.00 0.00 174.62 176.44 1ib7 h LEU 9 N 3.28 0.00 -1.19 4.79 -0.00 -1.90 0.79 115.31 121.07 1ib7 h LEU 9 Ca -0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.35 1ib7 h LEU 9 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1ib7 h LEU 9 CO 0.67 0.00 -0.01 -0.08 -0.00 0.00 0.00 178.44 179.01 1ib7 h GLU 10 N 0.00 0.54 0.00 0.17 4.81 -1.97 -2.84 114.58 115.29 1ib7 h GLU 10 Ca 0.02 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1ib7 h GLU 10 Cb 0.89 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1ib7 h GLU 10 CO -0.00 0.57 0.00 0.39 -0.73 0.00 0.00 179.01 179.24 1ib7 n GLU 11 N -4.27 0.00 -0.24 1.92 4.71 0.27 -1.35 120.64 121.68 1ib7 n GLU 11 Ca 0.01 0.22 0.14 0.00 -0.01 0.00 0.00 57.16 57.52 1ib7 n GLU 11 Cb 0.26 -1.21 0.27 0.00 -1.01 0.00 0.00 31.44 29.75 1ib7 n GLU 11 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1ib7 n ILE 12 N -1.15 -0.30 0.18 -3.67 -0.00 -1.24 0.16 119.36 113.35 1ib7 n ILE 12 Ca 0.00 1.53 -0.12 0.00 -0.00 0.00 0.00 62.75 64.17 1ib7 n ILE 12 Cb 0.00 -2.31 -0.07 0.00 -0.00 0.00 0.00 39.64 37.26 1ib7 n ILE 12 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1ib7 h GLN 13 N 0.00 -0.63 0.00 6.28 1.08 -1.35 -1.30 115.11 119.20 1ib7 h GLN 13 Ca 0.49 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.71 1ib7 h GLN 13 Cb 1.11 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1ib7 h GLN 13 CO -0.64 -0.42 -0.07 1.57 -0.95 0.00 0.00 178.83 178.33 1ib7 h LYS 14 N -0.65 0.00 -1.59 1.46 2.10 0.19 -2.02 116.57 116.05 1ib7 h LYS 14 Ca -0.04 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.06 1ib7 h LYS 14 Cb 0.57 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 31.69 1ib7 h LYS 14 CO -0.06 0.07 0.66 0.72 -2.00 0.00 0.00 179.45 178.84 1ib7 n HIS 15 N -3.64 2.28 -1.37 0.07 8.25 0.43 -4.34 115.22 116.91 1ib7 n HIS 15 Ca -0.02 -2.32 -0.07 0.00 -0.26 0.00 0.00 57.72 55.05 1ib7 n HIS 15 Cb 0.17 -1.24 0.20 0.00 1.12 0.00 0.00 29.99 30.24 1ib7 n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ib7 n LYS 16 N -0.03 2.06 -4.42 -0.41 4.81 -0.76 -1.49 118.16 117.91 1ib7 n LYS 16 Ca 0.48 -3.13 -0.20 0.00 -0.87 0.00 0.00 58.31 54.59 1ib7 n LYS 16 Cb 0.53 -1.90 -0.11 0.00 0.02 0.00 0.00 35.03 33.57 1ib7 n LYS 16 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ib7 s ASP 17 N -2.21 2.13 0.14 3.14 1.11 -1.19 -4.86 116.67 114.94 1ib7 s ASP 17 Ca 0.47 -1.37 -0.18 0.00 0.18 0.00 0.00 52.55 51.65 1ib7 s ASP 17 Cb 0.42 -0.03 0.02 0.00 1.07 0.00 0.00 42.92 44.40 1ib7 s ASP 17 CO 0.03 -0.63 1.70 -1.28 1.18 0.00 0.00 175.17 176.18 1ib7 h SER 18 N 2.18 -0.17 -0.81 0.27 0.87 -1.97 -0.72 113.55 113.20 1ib7 h SER 18 Ca -0.40 0.07 0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1ib7 h SER 18 Cb 1.24 0.13 -0.14 0.00 -0.44 0.00 0.00 62.40 63.20 1ib7 h SER 18 CO 0.68 -0.05 -0.38 0.50 -0.53 0.00 0.00 176.83 177.05 1ib7 h LYS 19 N 0.05 -0.08 -2.88 2.24 3.64 -1.96 -3.26 116.57 114.31 1ib7 h LYS 19 Ca 0.13 0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.92 1ib7 h LYS 19 Cb 0.19 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 31.63 1ib7 h LYS 19 CO -0.25 -0.05 -0.77 -1.12 -2.27 0.00 0.00 179.45 174.99 1ib7 s SER 20 N -5.27 3.45 -0.40 4.20 0.01 -0.80 -4.94 113.70 109.95 1ib7 s SER 20 Ca -0.14 -2.44 -0.17 0.00 1.31 0.00 0.00 55.95 54.51 1ib7 s SER 20 Cb 0.18 -0.82 0.01 0.00 0.21 0.00 0.00 66.02 65.60 1ib7 s SER 20 CO 0.70 -0.29 0.44 -0.89 0.41 0.00 0.00 173.24 173.61 1ib7 s THR 21 N 0.65 5.09 0.27 1.44 2.01 -0.34 -2.99 115.64 121.76 1ib7 s THR 21 Ca 0.17 -0.21 0.11 0.00 0.31 0.00 0.00 61.69 62.08 1ib7 s THR 21 Cb -0.24 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1ib7 s THR 21 CO -0.00 -0.35 -0.17 0.26 -0.69 0.00 0.00 174.62 173.66 1ib7 s TRP 22 N 2.16 2.36 -0.23 4.92 0.52 -0.56 -2.78 118.94 125.33 1ib7 s TRP 22 Ca 0.13 -0.31 -0.09 0.00 0.02 0.00 0.00 56.10 55.85 1ib7 s TRP 22 Cb -0.17 -1.04 0.10 0.00 -1.15 0.00 0.00 33.47 31.21 1ib7 s TRP 22 CO 0.13 0.68 0.51 0.54 0.02 0.00 0.00 176.95 178.83 1ib7 s VAL 23 N -2.40 -0.65 -0.35 4.03 0.11 -1.22 -1.15 120.40 118.78 1ib7 s VAL 23 Ca 0.29 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.16 1ib7 s VAL 23 Cb -0.06 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1ib7 s VAL 23 CO 0.15 0.04 1.63 -0.63 -3.33 0.00 0.00 175.10 172.96 1ib7 s ILE 24 N 2.51 3.67 -0.15 7.04 1.01 -1.22 -0.67 121.20 133.39 1ib7 s ILE 24 Ca -0.04 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.31 1ib7 s ILE 24 Cb -0.11 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1ib7 s ILE 24 CO -0.15 -0.53 -0.19 -0.76 0.00 0.00 0.00 174.94 173.31 1ib7 s LEU 25 N 6.12 2.26 -1.73 2.97 1.02 0.31 -3.37 118.68 126.25 1ib7 s LEU 25 Ca 0.72 -0.55 -0.15 0.00 0.02 0.00 0.00 54.13 54.17 1ib7 s LEU 25 Cb -0.19 -1.50 0.15 0.00 0.02 0.00 0.00 46.19 44.67 1ib7 s LEU 25 CO 0.33 0.08 0.36 0.00 0.02 0.00 0.00 176.35 177.14 1ib7 n HIS 26 N 4.09 -1.18 -2.94 0.29 1.44 -1.26 0.15 115.22 115.81 1ib7 n HIS 26 Ca -0.20 0.65 -0.11 0.00 -2.01 0.00 0.00 57.72 56.05 1ib7 n HIS 26 Cb 0.52 -2.18 0.06 0.00 0.12 0.00 0.00 29.99 28.50 1ib7 n HIS 26 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1ib7 n HIS 27 N -4.20 -1.44 -3.35 -1.40 8.25 -1.26 -5.02 115.22 106.79 1ib7 n HIS 27 Ca -0.05 0.61 0.02 0.00 -0.26 0.00 0.00 57.72 58.04 1ib7 n HIS 27 Cb 0.54 -3.99 -0.03 0.00 1.12 0.00 0.00 29.99 27.63 1ib7 n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ib7 s LYS 28 N -4.92 0.40 0.34 -0.41 1.02 0.39 -4.44 119.74 112.12 1ib7 s LYS 28 Ca 0.02 0.89 -0.28 0.00 0.02 0.00 0.00 55.97 56.61 1ib7 s LYS 28 Cb -0.01 0.52 -0.10 0.00 -0.52 0.00 0.00 37.83 37.73 1ib7 s LYS 28 CO 0.47 -0.27 1.23 0.14 -0.92 0.00 0.00 175.35 176.01 1ib7 s VAL 29 N 2.75 2.97 -0.30 3.17 -7.23 -1.14 0.11 120.40 120.73 1ib7 s VAL 29 Ca 0.03 0.93 0.01 0.00 -1.81 0.00 0.00 61.98 61.14 1ib7 s VAL 29 Cb -0.10 -3.58 0.07 0.00 0.56 0.00 0.00 36.38 33.33 1ib7 s VAL 29 CO -0.17 0.19 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.47 1ib7 s TYR 30 N -1.21 3.38 -1.19 2.82 1.51 0.15 -4.34 117.35 118.47 1ib7 s TYR 30 Ca 0.50 -2.31 -0.21 0.00 -1.01 0.00 0.00 57.07 54.05 1ib7 s TYR 30 Cb -0.36 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1ib7 s TYR 30 CO 0.47 -0.88 1.76 0.34 -1.11 0.00 0.00 175.55 176.13 1ib7 s ASP 31 N 1.17 6.17 -0.57 2.29 -1.08 -0.81 -3.38 116.67 120.45 1ib7 s ASP 31 Ca -0.03 -1.93 0.01 0.00 -0.52 0.00 0.00 52.55 50.08 1ib7 s ASP 31 Cb -0.20 -2.58 0.52 0.00 -1.46 0.00 0.00 42.92 39.20 1ib7 s ASP 31 CO -0.04 -1.86 1.94 0.00 0.52 0.00 0.00 175.17 175.73 1ib7 n LEU 32 N 10.50 7.16 -0.27 -1.34 -0.00 -1.12 -4.59 117.00 127.34 1ib7 n LEU 32 Ca 0.44 -4.08 -0.04 0.00 -0.00 0.00 0.00 56.01 52.33 1ib7 n LEU 32 Cb 0.47 -0.89 0.07 0.00 -0.00 0.00 0.00 43.42 43.06 1ib7 n LEU 32 CO 0.71 1.36 1.19 0.74 -0.00 0.00 0.00 177.39 181.39 1ib7 h THR 33 N 1.05 1.19 -0.11 1.47 2.02 -1.85 1.35 112.91 118.05 1ib7 h THR 33 Ca 0.59 -0.35 -0.22 0.00 0.77 0.00 0.00 66.41 67.20 1ib7 h THR 33 Cb 1.52 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1ib7 h THR 33 CO 1.36 0.19 -0.79 0.50 0.37 0.00 0.00 175.52 177.15 1ib7 h LYS 34 N 1.03 0.72 -0.69 6.66 3.64 -1.91 -3.02 116.57 123.00 1ib7 h LYS 34 Ca 0.28 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1ib7 h LYS 34 Cb -0.12 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1ib7 h LYS 34 CO -0.06 1.24 0.00 0.98 -2.27 0.00 0.00 179.45 179.34 1ib7 n TYR 35 N -3.98 0.92 -0.03 1.91 9.36 -0.95 -4.09 117.16 120.30 1ib7 n TYR 35 Ca -0.09 -0.34 -0.14 0.00 3.32 0.00 0.00 57.90 60.66 1ib7 n TYR 35 Cb 0.75 -0.23 -0.10 0.00 -0.63 0.00 0.00 39.34 39.13 1ib7 n TYR 35 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ib7 h LEU 36 N 2.05 0.17 -0.23 2.98 7.12 0.19 -1.96 115.31 125.62 1ib7 h LEU 36 Ca 0.00 -0.59 0.00 0.00 0.13 0.00 0.00 57.88 57.42 1ib7 h LEU 36 Cb 1.07 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1ib7 h LEU 36 CO 0.19 0.72 -0.38 -0.62 -0.13 0.00 0.00 178.44 178.22 1ib7 n GLU 37 N -4.67 0.40 0.09 1.25 -0.58 -1.26 -3.65 120.64 112.23 1ib7 n GLU 37 Ca -0.08 -0.23 0.04 0.00 -0.42 0.00 0.00 57.16 56.47 1ib7 n GLU 37 Cb 0.36 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 1ib7 n GLU 37 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ib7 h GLU 38 N 0.57 0.00 -6.28 3.49 4.57 -1.70 -3.47 114.58 111.76 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.51 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.13 1ib7 h GLU 38 CO 0.00 0.26 0.69 1.58 -1.18 0.00 0.00 179.01 180.35 1ib7 n HIS 39 N -2.94 1.85 0.13 0.92 -0.00 -0.74 -4.84 115.22 109.59 1ib7 n HIS 39 Ca -0.04 0.49 -0.00 0.00 0.46 0.00 0.00 57.72 58.63 1ib7 n HIS 39 Cb 0.73 -2.43 0.13 0.00 -0.12 0.00 0.00 29.99 28.30 1ib7 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ib7 h PRO 40 N 5.91 0.00 0.09 1.57 0.13 -1.91 -3.35 132.00 134.44 1ib7 h PRO 40 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ib7 h PRO 40 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ib7 h PRO 40 CO 0.86 0.62 -0.04 0.78 -0.23 0.00 0.00 178.00 179.99 1ib7 h GLY 41 N 2.38 -0.12 -4.87 1.56 0.00 -1.99 -3.49 103.07 96.55 1ib7 h GLY 41 Ca -0.01 0.04 0.16 0.00 0.00 0.00 0.00 47.33 47.53 1ib7 h GLY 41 CO 0.08 -0.04 0.75 -0.32 0.00 0.00 0.00 176.54 177.01 1ib7 s GLY 42 N -1.47 -0.04 0.24 4.60 0.00 -1.26 -5.02 107.32 104.37 1ib7 s GLY 42 Ca -0.02 2.57 0.24 0.00 0.00 0.00 0.00 44.72 47.51 1ib7 s GLY 42 CO 0.05 1.21 1.37 1.05 0.00 0.00 0.00 173.10 176.78 1ib7 h GLU 43 N 2.51 0.00 0.00 2.90 4.11 -1.82 -3.35 114.58 118.93 1ib7 h GLU 43 Ca -0.15 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.19 1ib7 h GLU 43 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ib7 h GLU 43 CO 0.24 0.00 -0.60 1.49 0.07 0.00 0.00 179.01 180.22 1ib7 h GLU 44 N 0.00 0.00 -1.75 1.06 4.81 -1.95 -2.82 114.58 113.93 1ib7 h GLU 44 Ca 0.00 0.00 0.51 0.00 -0.13 0.00 0.00 59.36 59.74 1ib7 h GLU 44 Cb 0.89 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 1ib7 h GLU 44 CO 0.00 0.62 1.37 -0.24 -0.73 0.00 0.00 179.01 180.03 1ib7 h VAL 45 N -1.00 0.01 0.00 0.32 3.04 -1.96 1.93 116.25 118.59 1ib7 h VAL 45 Ca -0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1ib7 h VAL 45 Cb 0.85 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1ib7 h VAL 45 CO -0.08 0.00 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.20 1ib7 h LEU 46 N 0.00 0.00 0.39 3.16 3.38 -1.70 -3.33 115.31 117.21 1ib7 h LEU 46 Ca 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.80 1ib7 h LEU 46 Cb 3.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 44.30 1ib7 h LEU 46 CO -0.01 0.51 -0.38 0.03 0.09 0.00 0.00 178.44 178.69 1ib7 h ARG 47 N -0.82 -0.76 -0.73 1.13 3.08 -0.19 0.86 114.38 116.95 1ib7 h ARG 47 Ca 0.00 0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.33 1ib7 h ARG 47 Cb 0.21 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.30 1ib7 h ARG 47 CO 0.00 -0.51 0.13 -1.91 -1.07 0.00 0.00 179.97 176.61 1ib7 n GLU 48 N -5.48 -0.05 -2.79 0.04 4.07 0.62 -0.19 120.64 116.86 1ib7 n GLU 48 Ca -0.10 1.07 -0.19 0.00 -0.06 0.00 0.00 57.16 57.88 1ib7 n GLU 48 Cb 0.38 -1.77 -0.00 0.00 -0.06 0.00 0.00 31.44 29.99 1ib7 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ib7 n GLN 49 N -4.91 2.05 0.00 5.31 10.64 -0.81 -4.94 117.38 124.72 1ib7 n GLN 49 Ca 0.20 -3.88 0.00 0.00 -1.83 0.00 0.00 57.00 51.49 1ib7 n GLN 49 Cb 0.68 -1.78 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 1ib7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ib7 n ALA 50 N -0.12 0.00 -0.57 2.61 0.00 0.29 -4.15 120.51 118.58 1ib7 n ALA 50 Ca 0.24 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.14 1ib7 n ALA 50 Cb 0.67 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.86 1ib7 n ALA 50 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ib7 h GLY 51 N 0.00 0.84 0.00 0.00 0.00 -1.19 -3.33 103.07 99.39 1ib7 h GLY 51 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1ib7 h GLY 51 CO 0.00 -0.30 0.00 0.61 0.00 0.00 0.00 176.54 176.85 1ib7 n GLY 52 N -1.68 -3.49 2.81 4.60 0.00 -1.26 -4.50 105.19 101.67 1ib7 n GLY 52 Ca 0.42 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1ib7 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ib7 s ASP 53 N -1.98 2.67 -0.21 1.61 2.15 -1.26 -3.40 116.67 116.26 1ib7 s ASP 53 Ca 0.00 -0.64 0.14 0.00 0.43 0.00 0.00 52.55 52.48 1ib7 s ASP 53 Cb 0.00 -0.71 0.45 0.00 -0.30 0.00 0.00 42.92 42.36 1ib7 s ASP 53 CO 0.00 -0.24 1.34 0.00 -0.17 0.00 0.00 175.17 176.10 1ib7 n ALA 54 N 4.99 3.34 0.25 3.66 0.00 -1.23 -4.76 120.51 126.75 1ib7 n ALA 54 Ca -0.10 -2.81 -0.16 0.00 0.00 0.00 0.00 53.44 50.38 1ib7 n ALA 54 Cb 0.48 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 1ib7 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ib7 h THR 55 N 0.99 0.00 -0.71 0.00 2.02 -1.93 0.70 112.91 113.98 1ib7 h THR 55 Ca 0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 1ib7 h THR 55 Cb 1.34 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1ib7 h THR 55 CO 0.19 0.00 0.23 -0.33 0.37 0.00 0.00 175.52 175.98 1ib7 h GLU 56 N -0.87 1.09 0.00 6.66 3.07 -1.92 0.34 114.58 122.96 1ib7 h GLU 56 Ca -0.05 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1ib7 h GLU 56 Cb 0.76 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1ib7 h GLU 56 CO -0.07 0.93 0.00 -0.91 -1.40 0.00 0.00 179.01 177.57 1ib7 h ASN 57 N 1.04 0.00 0.07 1.42 2.35 -1.80 1.54 115.58 120.20 1ib7 h ASN 57 Ca 0.23 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.60 1ib7 h ASN 57 Cb 0.29 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1ib7 h ASN 57 CO -0.01 0.00 -2.22 0.33 -1.65 0.00 0.00 177.43 173.88 1ib7 n PHE 58 N -2.75 0.67 0.10 1.19 -0.00 0.24 -3.87 117.46 113.04 1ib7 n PHE 58 Ca -0.01 0.14 -0.17 0.00 -0.00 0.00 0.00 57.45 57.41 1ib7 n PHE 58 Cb 0.14 -1.09 -0.12 0.00 -0.00 0.00 0.00 39.48 38.42 1ib7 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1ib7 h GLU 59 N 0.04 0.38 -0.66 -4.13 5.08 0.15 -3.10 114.58 112.34 1ib7 h GLU 59 Ca -0.50 -0.56 0.05 0.00 -1.00 0.00 0.00 59.36 57.35 1ib7 h GLU 59 Cb 1.97 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 31.37 1ib7 h GLU 59 CO 0.00 1.24 0.38 0.22 -1.00 0.00 0.00 179.01 179.85 1ib7 h ASP 60 N 0.15 0.58 0.73 1.42 1.82 0.20 0.35 116.42 121.67 1ib7 h ASP 60 Ca -0.14 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1ib7 h ASP 60 Cb 1.89 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.80 1ib7 h ASP 60 CO 0.21 0.39 0.00 -0.37 -1.61 0.00 0.00 179.24 177.85 1ib7 h VAL 61 N 0.71 0.00 -5.27 2.25 -1.51 -1.67 -3.48 116.25 107.29 1ib7 h VAL 61 Ca 0.28 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1ib7 h VAL 61 Cb 0.13 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1ib7 h VAL 61 CO -0.16 0.00 -0.77 0.61 -1.23 0.00 0.00 177.57 176.03 1ib7 n GLY 62 N -0.12 -2.68 3.76 5.19 0.00 0.12 -4.92 105.19 106.54 1ib7 n GLY 62 Ca 0.01 0.86 -0.40 0.00 0.00 0.00 0.00 46.02 46.49 1ib7 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ib7 s HIS 63 N -2.08 3.28 0.77 1.61 3.76 -1.24 -5.02 115.29 116.36 1ib7 s HIS 63 Ca 0.13 1.54 -0.10 0.00 -0.15 0.00 0.00 55.06 56.48 1ib7 s HIS 63 Cb -0.03 -3.51 0.07 0.00 1.11 0.00 0.00 32.58 30.22 1ib7 s HIS 63 CO 0.76 -1.29 1.11 -1.12 -0.85 0.00 0.00 174.74 173.36 1ib7 s SER 64 N -0.65 4.63 0.22 1.40 0.01 -1.26 -4.89 113.70 113.16 1ib7 s SER 64 Ca 0.47 0.65 -0.08 0.00 1.31 0.00 0.00 55.95 58.30 1ib7 s SER 64 Cb -0.36 -1.21 0.35 0.00 0.21 0.00 0.00 66.02 65.01 1ib7 s SER 64 CO 0.48 -1.78 1.69 0.74 0.41 0.00 0.00 173.24 174.78 1ib7 h THR 65 N -0.87 0.58 -1.11 1.44 2.02 -2.00 0.21 112.91 113.19 1ib7 h THR 65 Ca -0.45 -0.09 0.41 0.00 0.77 0.00 0.00 66.41 67.05 1ib7 h THR 65 Cb 1.32 0.31 -0.16 0.00 -1.74 0.00 0.00 68.15 67.89 1ib7 h THR 65 CO 0.64 0.05 0.66 0.44 0.37 0.00 0.00 175.52 177.67 1ib7 h ASP 66 N 0.25 0.34 -0.11 4.18 5.19 -2.01 1.48 116.42 125.74 1ib7 h ASP 66 Ca 0.35 0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.90 1ib7 h ASP 66 Cb 0.55 0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 1ib7 h ASP 66 CO -0.45 -0.29 -0.16 0.00 -3.12 0.00 0.00 179.24 175.22 1ib7 h ALA 67 N 1.83 0.17 -0.97 3.45 0.00 -0.93 -2.84 119.26 119.97 1ib7 h ALA 67 Ca 0.82 -0.34 0.31 0.00 0.00 0.00 0.00 54.91 55.70 1ib7 h ALA 67 Cb 2.25 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 19.85 1ib7 h ALA 67 CO -0.62 0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.03 1ib7 h ARG 68 N -0.12 0.11 0.24 0.00 3.08 0.24 1.11 114.38 119.05 1ib7 h ARG 68 Ca 0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ib7 h ARG 68 Cb 0.72 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1ib7 h ARG 68 CO 0.04 0.07 -0.12 1.49 -1.07 0.00 0.00 179.97 180.39 1ib7 h GLU 69 N 0.12 -0.31 0.33 0.04 4.22 -1.31 -2.78 114.58 114.89 1ib7 h GLU 69 Ca 0.68 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 60.13 1ib7 h GLU 69 Cb 1.57 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1ib7 h GLU 69 CO -0.75 0.03 -0.23 -0.07 -2.18 0.00 0.00 179.01 175.81 1ib7 h LEU 70 N -0.72 -0.61 -0.62 1.64 4.07 -0.30 0.14 115.31 118.92 1ib7 h LEU 70 Ca -0.03 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.03 1ib7 h LEU 70 Cb 0.49 0.19 -0.08 0.00 1.08 0.00 0.00 40.66 42.34 1ib7 h LEU 70 CO 0.05 -0.34 -0.34 -1.20 -1.08 0.00 0.00 178.44 175.53 1ib7 n SER 71 N -3.76 -0.61 0.01 -0.43 7.64 0.35 0.22 113.62 117.05 1ib7 n SER 71 Ca -0.07 1.10 -0.10 0.00 1.01 0.00 0.00 58.87 60.81 1ib7 n SER 71 Cb 0.23 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1ib7 n SER 71 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ib7 h LYS 72 N 0.00 -0.09 -0.52 1.43 6.56 -1.31 -0.62 116.57 122.02 1ib7 h LYS 72 Ca 0.12 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.80 1ib7 h LYS 72 Cb 0.27 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.92 1ib7 h LYS 72 CO -0.59 -0.06 0.35 1.15 -2.06 0.00 0.00 179.45 178.25 1ib7 h THR 73 N -0.09 0.91 -1.04 -0.16 2.02 0.55 -0.67 112.91 114.44 1ib7 h THR 73 Ca 0.06 -0.12 -0.67 0.00 0.77 0.00 0.00 66.41 66.46 1ib7 h THR 73 Cb 0.18 0.53 -0.28 0.00 -1.74 0.00 0.00 68.15 66.84 1ib7 h THR 73 CO -0.15 0.06 0.87 -1.22 0.37 0.00 0.00 175.52 175.46 1ib7 n TYR 74 N -4.47 3.14 -4.98 3.16 4.02 0.60 -4.93 117.16 113.70 1ib7 n TYR 74 Ca 0.08 -2.94 -0.32 0.00 -0.01 0.00 0.00 57.90 54.70 1ib7 n TYR 74 Cb 0.34 -1.42 -0.14 0.00 -0.02 0.00 0.00 39.34 38.10 1ib7 n TYR 74 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1ib7 s ILE 75 N -4.72 2.84 0.00 -0.72 2.07 -0.26 -1.93 121.20 118.48 1ib7 s ILE 75 Ca 0.63 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 1ib7 s ILE 75 Cb 0.49 -2.09 0.00 0.00 0.13 0.00 0.00 42.46 40.99 1ib7 s ILE 75 CO -0.04 0.59 0.00 2.30 -1.91 0.00 0.00 174.94 175.88 1ib7 n ILE 76 N 2.34 0.00 -3.17 2.00 -0.00 -1.26 -4.97 119.36 114.31 1ib7 n ILE 76 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1ib7 n ILE 76 Cb 0.52 -0.55 0.00 0.00 -0.00 0.00 0.00 39.64 39.61 1ib7 n ILE 76 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ib7 n GLY 77 N 3.28 -0.75 3.51 3.28 0.00 -1.26 -4.57 105.19 108.69 1ib7 n GLY 77 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1ib7 n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ib7 s GLU 78 N -0.34 1.77 0.05 1.61 -1.05 0.13 -2.87 118.70 118.01 1ib7 s GLU 78 Ca 0.00 -1.84 -0.10 0.00 -0.15 0.00 0.00 54.97 52.88 1ib7 s GLU 78 Cb 0.00 -1.75 -0.06 0.00 -0.44 0.00 0.00 34.13 31.88 1ib7 s GLU 78 CO 0.00 0.24 0.37 -0.48 0.95 0.00 0.00 175.26 176.34 1ib7 s LEU 79 N -3.57 4.37 -0.48 1.83 -0.00 -1.26 -1.20 118.68 118.37 1ib7 s LEU 79 Ca 0.31 0.76 -0.44 0.00 -0.00 0.00 0.00 54.13 54.76 1ib7 s LEU 79 Cb -0.01 -2.85 -0.19 0.00 -0.00 0.00 0.00 46.19 43.14 1ib7 s LEU 79 CO 0.16 0.21 1.60 1.57 -0.00 0.00 0.00 176.35 179.89 1ib7 n HIS 80 N 1.09 1.59 0.42 3.48 -0.00 0.57 -4.72 115.22 117.66 1ib7 n HIS 80 Ca -0.10 1.04 0.13 0.00 -0.00 0.00 0.00 57.72 58.80 1ib7 n HIS 80 Cb 0.52 -2.13 0.44 0.00 -0.00 0.00 0.00 29.99 28.83 1ib7 n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ib7 h PRO 81 N 5.31 0.00 0.10 1.57 0.13 -1.93 -2.24 132.00 134.93 1ib7 h PRO 81 Ca -0.37 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.50 1ib7 h PRO 81 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ib7 h PRO 81 CO 0.95 0.00 -1.19 0.22 -0.23 0.00 0.00 178.00 177.75 1ib7 h ASP 82 N 0.00 0.33 -0.62 1.44 3.58 -1.98 -3.17 116.42 116.00 1ib7 h ASP 82 Ca 0.00 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1ib7 h ASP 82 Cb 0.62 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1ib7 h ASP 82 CO 0.00 1.28 0.00 0.47 -2.88 0.00 0.00 179.24 178.11 1ib7 n ASP 83 N -3.49 5.26 0.17 2.28 9.92 -1.10 -4.19 116.55 125.39 1ib7 n ASP 83 Ca -0.07 -2.68 0.06 0.00 -0.53 0.00 0.00 54.79 51.57 1ib7 n ASP 83 Cb 1.01 -0.64 0.17 0.00 -0.64 0.00 0.00 41.12 41.02 1ib7 n ASP 83 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1ib7 h ARG 84 N 4.07 0.00 -0.75 -1.24 0.11 -1.37 -3.16 114.38 112.05 1ib7 h ARG 84 Ca 0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 1ib7 h ARG 84 Cb 1.72 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.51 1ib7 h ARG 84 CO 0.36 0.37 0.05 0.43 0.10 0.00 0.00 179.97 181.28 1ib7 n SER 85 N -3.27 5.11 -2.23 0.08 7.64 -1.26 -4.65 113.62 115.03 1ib7 n SER 85 Ca 0.02 -3.77 -0.30 0.00 1.01 0.00 0.00 58.87 55.83 1ib7 n SER 85 Cb 0.62 -0.67 0.09 0.00 -1.01 0.00 0.00 64.21 63.24 1ib7 n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ib7 n LYS 86 N -0.92 2.48 -0.08 1.43 3.00 -1.19 -4.29 118.16 118.58 1ib7 n LYS 86 Ca 0.49 -2.95 -0.23 0.00 -0.00 0.00 0.00 58.31 55.63 1ib7 n LYS 86 Cb 0.94 -2.16 -0.12 0.00 0.00 0.00 0.00 35.03 33.69 1ib7 n LYS 86 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1ib7 n ILE 87 N -0.74 1.61 0.00 3.15 0.13 -1.26 -5.15 119.36 117.11 1ib7 n ILE 87 Ca 0.57 -0.38 0.00 0.00 -1.10 0.00 0.00 62.75 61.84 1ib7 n ILE 87 Cb 0.77 -1.82 0.00 0.00 -0.84 0.00 0.00 39.64 37.75 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35